#DEFINITION	Reference Metabolome for Pleuropterus multiflorus
#IDENTTFIER	RefMeta-Pleuropterus multiflorus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Pleuropterus multiflorus
#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 Pleuropterus multiflorus 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	999.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.1
71.01379	2.0
72.08670	0.2
73.02965	0.3
75.00860	0.4
75.38602	0.2
77.03956	0.7
79.01905	0.3
81.03455	0.7
83.01376	3.5
83.05027	0.2
85.02509	0.2
85.02953	1.0
87.00893	0.3
89.02448	0.3
93.03456	1.0
93.92394	0.2
95.01354	1.0
95.05045	0.5
96.67595	0.2
96.99256	0.2
97.02951	1.7
99.00869	3.1
99.04540	0.2
101.02426	0.3
108.02160	0.8
109.02951	3.3
110.00085	0.7
111.00877	3.4
113.02424	0.5
115.00374	1.9
119.05044	0.7
121.02947	2.7
122.03770	0.2
123.00875	0.7
123.04570	0.6
125.02427	1.0
127.04024	0.3
128.03578	0.2
133.02922	0.4
134.03705	0.2
135.00844	0.3
135.04546	0.9
136.01749	0.2
136.98827	1.2
137.02444	6.7
137.99484	0.2
139.00375	2.7
139.04021	1.7
140.01175	1.1
141.01936	5.7
145.02940	0.4
147.04486	0.3
149.02435	0.6
149.06059	0.2
151.03983	1.2
153.01930	12.3
155.03493	0.7
159.04518	0.2
161.02391	0.3
163.03984	0.4
164.01120	0.4
165.01923	8.7
165.05539	0.2
165.99077	2.0
166.01237	0.2
166.02609	0.8
166.99815	1.3
167.03510	1.2
169.01382	0.2
171.04561	0.2
175.03922	0.3
177.01894	0.7
179.03439	0.9
181.01421	15.6
182.02197	83.7
183.02963	94.7
184.03300	1.6
186.01674	0.4
191.03447	0.2
193.01326	0.3
193.05057	0.6
194.02216	0.6
195.02966	2.9
203.03427	0.3
207.02983	0.9
207.05080	0.6
209.04501	0.3
210.06757	0.3
219.02969	0.8
225.03995	0.7
226.06319	1.1
227.07120	3.7
234.01585	0.3
235.02429	0.4
237.04034	0.4
243.04849	0.3
245.00746	0.3
249.03918	0.3
253.08669	0.5
255.10199	2.3
261.05820	0.3
263.07132	0.3
266.05801	0.5
279.06616	0.5
281.08185	1.6
285.06207	0.3
303.07242	0.7
306.07706	0.2
307.05997	1.7
309.06094	0.3
325.07175	0.6
327.07175	10.1
328.07697	0.3
343.08209	0.6
345.08228	100.0
346.08557	3.7
397.07581	0.5
423.45526	0.2
425.07199	6.3
426.07559	0.3
443.08127	1.7
459.53238	0.2
477.06870	0.3
502.90033	0.2
507.12039	0.2
587.12097	0.2
627.17029	0.4
653.15033	13.9
654.15491	0.8
671.16284	1.9
771.16174	4.2
772.16620	0.6
788.16565	0.2
815.20148	0.7
880.20459	0.2
957.29004	0.2
999.23993	5.7
1000.24670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.5
71.01383	2.9
71.52825	0.3
73.02959	0.2
75.00869	0.3
77.03976	0.8
78.07213	0.2
81.03468	1.2
83.01379	3.6
83.01833	0.3
84.76636	0.2
85.02955	0.8
87.00864	0.3
89.02431	0.2
93.03454	1.5
95.01382	1.2
95.05024	0.6
96.95997	0.2
97.02942	2.0
99.00880	2.9
99.04541	0.3
101.02441	0.7
108.02173	1.5
109.02952	5.5
109.03699	0.3
110.00091	0.9
111.00880	3.6
113.02460	0.6
115.00373	2.9
117.03503	0.3
119.05019	0.7
121.02950	2.9
122.03755	0.4
123.00881	0.6
123.04525	1.3
124.01684	0.5
125.02412	1.1
128.03554	0.2
129.01877	0.3
133.02959	0.5
135.00928	0.5
135.04517	1.1
136.98807	0.9
137.02437	8.0
139.00369	2.9
139.03983	1.6
140.01181	1.2
141.01938	6.8
141.03023	0.4
141.07022	0.2
143.04657	0.7
145.02899	0.4
145.06514	0.3
146.04625	0.2
147.04518	0.6
149.02393	0.6
149.06036	0.3
150.03201	0.3
151.00374	0.5
151.03983	1.1
153.01929	13.8
154.02687	0.4
155.03505	0.6
159.04544	0.3
161.02441	0.8
161.06142	0.5
163.03990	0.4
164.01198	0.4
165.01921	8.8
165.05565	0.4
165.99075	1.7
166.02660	0.8
166.99832	1.3
167.03502	1.7
171.04465	0.4
174.03154	0.3
175.02534	0.3
175.03969	0.5
177.01945	1.0
179.03502	0.9
180.99768	0.5
181.01421	17.7
182.02196	81.4
183.02963	94.8
184.03296	2.1
185.06190	0.2
186.01668	0.5
187.04034	0.4
189.01797	0.2
191.03528	0.4
193.01407	0.4
193.05046	0.7
194.02184	1.0
195.02959	2.5
197.06064	0.2
201.01923	0.3
203.03372	0.3
207.02963	1.4
207.05080	0.6
209.04549	0.3
210.06859	0.2
219.02982	0.9
221.04442	0.2
225.03995	0.8
225.05775	0.5
226.06354	1.8
227.07132	3.3
234.01662	0.6
235.02386	0.4
239.07158	0.5
245.00890	0.4
249.03925	0.4
253.08636	0.7
255.10231	6.5
261.06021	0.4
263.07077	0.4
266.05811	0.6
272.08826	0.3
279.06564	0.5
281.08228	2.4
282.07834	0.2
285.06308	0.4
300.02756	0.3
301.03613	0.5
303.07208	0.5
306.07617	1.0
307.05963	2.0
309.06079	0.6
325.07123	0.9
327.07184	12.3
328.07669	0.3
343.08173	1.0
345.08228	100.0
346.08551	3.1
388.13278	0.2
397.07831	0.6
425.07211	6.5
426.07455	0.4
435.11279	0.2
443.08206	2.4
445.07733	0.3
463.08597	0.5
491.11075	0.3
507.11539	0.5
509.10880	0.2
531.11505	0.2
587.12573	0.4
627.17273	0.8
653.15057	13.1
654.15466	0.8
671.16089	3.8
672.16492	0.3
771.02417	0.3
771.16168	6.5
772.16046	0.3
815.20001	0.7
955.25897	0.3
999.23920	8.8
1000.23712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06759	100.0
98.20596	31.8
129.56688	32.2
279.89874	30.9
459.26712	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	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92966	56.5
71.26699	100.0
71.27052	87.8
77.36119	67.2
94.49642	64.9
124.86095	70.2
179.80728	62.1
308.02237	69.7
466.11121	76.4
501.65039	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	999.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.5
70.62486	0.3
70.62853	0.3
71.01371	0.6
71.87572	0.1
74.02471	1.1
75.00883	0.2
77.03948	0.4
79.01891	0.2
81.03461	0.5
83.01379	2.1
85.02942	0.3
86.02472	0.4
86.06047	0.1
89.02468	0.2
90.92079	0.1
91.01900	0.2
93.03463	0.9
95.01375	0.6
95.05001	0.2
97.02914	0.7
97.04067	0.1
99.00872	1.7
99.05604	0.7
101.02422	0.2
102.05612	0.1
108.02123	0.2
109.02949	1.8
109.04083	0.2
110.00085	0.2
111.00872	2.0
113.02415	0.4
117.03448	0.3
119.05025	2.5
121.02950	1.2
123.00867	0.4
123.04504	0.2
125.02430	0.5
128.03548	2.3
133.02911	0.9
134.03709	0.5
135.04523	6.1
136.98788	0.7
137.01460	0.3
137.02446	4.2
138.03206	0.6
139.00339	1.3
139.03993	0.9
140.01129	0.5
141.01935	3.0
143.04616	3.1
145.02962	0.6
145.06206	0.2
146.04622	0.3
147.04558	0.2
149.02411	0.2
150.03200	1.1
151.04013	0.9
153.01927	8.1
154.02533	0.2
155.03461	0.4
159.04570	0.2
160.00687	0.7
161.02415	1.9
163.04031	1.2
164.01128	0.2
165.01924	7.4
165.99089	1.1
166.02687	0.9
166.99840	0.8
167.02237	0.2
167.03471	0.8
167.04675	0.2
167.08316	0.2
170.02220	0.3
177.01881	0.6
177.03339	0.3
178.02731	0.5
178.99899	0.2
179.03404	2.1
179.04706	0.4
181.01421	9.4
182.02196	56.1
183.02962	63.6
184.03290	1.1
185.05704	0.2
186.01685	0.5
187.04004	0.2
191.03494	0.3
193.01376	0.4
193.05038	0.4
194.02220	1.4
195.02988	1.9
203.03415	0.2
205.01263	0.2
206.02176	0.6
207.02937	1.3
207.05084	0.6
209.00940	0.8
210.08813	0.6
218.99390	0.5
219.02888	0.3
225.04095	0.5
229.05057	1.5
233.00902	0.4
234.01678	7.8
235.02454	7.0
236.02893	0.2
239.07092	0.9
241.05096	0.2
249.04053	0.2
251.11925	0.3
254.07845	0.8
255.10245	1.3
257.04379	0.8
257.12994	0.3
258.05005	0.2
259.06128	1.7
264.08984	0.6
265.05038	0.2
272.08905	1.1
273.07471	0.3
279.11334	1.4
281.08139	0.5
283.06158	0.5
285.07855	0.2
287.05719	0.7
288.06323	0.3
299.05469	0.2
300.06277	1.8
301.06799	0.2
303.07162	0.6
306.07645	8.5
307.08023	1.3
311.05573	0.2
325.07013	0.5
327.04678	1.8
327.07269	3.5
328.05783	3.9
329.06628	16.3
330.06918	0.6
345.08224	100.0
346.08563	3.3
350.62793	0.2
369.13370	0.2
397.07706	6.2
398.08090	0.2
491.11920	41.4
492.12283	2.4
507.11356	10.4
508.11560	0.5
627.17188	1.8
653.14801	1.4
671.16241	0.9
681.79230	0.2
787.28070	0.4
815.20319	0.2
819.30396	0.9
998.43805	0.4
999.23676	3.4
999.41315	0.4
1000.23395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.3
72.00915	0.4
74.02471	11.6
81.03452	0.3
81.04581	0.7
82.02976	1.4
83.01379	0.8
84.04569	0.3
84.27313	0.3
85.04059	0.2
86.02477	4.7
86.06145	0.5
86.99094	1.2
87.05640	3.0
90.00190	1.3
93.03461	0.6
95.02531	0.3
95.05048	0.3
95.06157	0.2
96.04538	0.6
97.02951	0.6
97.04082	1.2
99.05639	10.0
101.07200	1.7
102.05607	1.7
103.70961	0.2
107.05019	0.4
107.06174	0.7
109.02960	2.8
109.04099	1.1
110.02512	0.3
111.05643	0.7
112.04012	1.3
113.03584	0.4
116.01768	1.1
120.01223	0.4
121.02946	1.1
123.04526	1.9
123.05629	0.7
124.04058	0.6
125.02447	15.2
125.03514	1.4
126.01983	0.3
126.02831	0.3
127.05145	1.7
128.03539	30.6
129.03964	0.2
129.99677	0.5
131.04634	0.6
133.02965	0.6
135.04639	0.4
135.05634	2.9
137.02438	4.4
137.03403	0.4
137.07231	0.7
139.04051	0.5
141.06715	3.0
143.04617	41.6
144.01181	0.3
144.04993	0.4
145.06192	2.3
146.04581	4.2
149.02411	1.9
151.03981	1.9
153.06697	3.2
155.08237	0.3
159.04439	0.3
160.00734	11.9
161.01132	0.3
161.02472	0.4
161.06071	0.5
163.00287	0.3
163.03908	0.4
164.01152	0.3
165.01973	0.8
166.09854	1.8
167.03430	0.4
167.04642	3.1
167.08212	1.6
170.03387	0.5
171.04118	0.6
171.07765	0.6
175.03984	1.8
177.01947	16.7
177.03398	3.3
178.02368	0.3
179.04636	9.3
181.06213	1.3
184.10880	0.8
185.05711	1.8
187.03966	1.4
188.04753	0.5
192.07774	1.0
197.05699	1.5
203.07086	1.5
205.05026	0.9
210.08824	10.4
211.09253	0.4
217.05089	0.4
227.07184	0.3
228.09692	0.3
229.05054	0.7
242.07823	1.1
243.03123	0.3
245.08148	2.5
247.05917	0.3
254.07816	7.2
255.02950	1.5
256.03766	0.7
257.04721	0.3
261.03818	0.3
269.04477	0.3
272.08853	11.4
273.04016	2.2
281.04495	0.5
283.02609	0.4
285.04013	0.6
288.06543	4.6
289.03955	0.6
289.07129	7.8
289.10278	0.5
297.04160	0.3
303.05127	3.1
306.07632	100.0
307.07977	3.4
315.05164	0.6
339.08755	0.9
381.09467	0.3
386.13568	0.4
404.14948	22.4
405.15149	0.9
407.07678	10.9
408.08087	0.7
425.08759	16.1
426.09076	1.0
441.08139	1.4
442.08826	0.3
467.09811	2.2
593.12982	11.5
594.13300	1.0
882.75446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.8
74.02471	0.3
75.00871	0.3
79.01891	0.2
80.68020	0.2
81.03456	0.4
83.01371	1.6
85.02955	0.7
86.55317	0.2
87.00874	0.3
89.02428	0.3
93.03465	2.1
95.05051	0.2
95.63635	0.2
97.02955	0.4
98.20678	0.8
99.00891	1.4
100.43481	0.2
101.02434	0.5
109.02939	0.9
110.00101	0.3
111.00865	1.5
113.02435	0.7
115.00332	0.3
115.04032	0.2
117.03440	0.3
119.05036	3.8
121.02956	0.3
123.00879	0.3
123.04552	0.5
125.02466	0.6
128.03542	0.6
133.02937	0.5
133.06595	0.5
135.04538	1.0
136.98860	0.3
137.02437	1.8
139.00375	1.1
139.03966	0.8
140.01140	0.9
141.00856	0.4
141.01933	6.6
143.04678	0.6
145.02945	0.3
149.02403	0.3
151.00313	0.6
151.03981	0.4
152.04793	0.4
153.01929	5.2
154.70480	0.2
157.06622	1.2
159.04530	0.3
160.00696	0.3
160.05275	0.3
161.02452	1.2
161.06094	0.5
163.03987	0.9
165.01923	2.6
165.05493	0.2
166.02817	0.2
166.99883	0.3
167.03490	5.5
169.01526	0.2
171.04478	0.4
173.06079	0.2
175.03984	0.4
175.07588	0.4
177.01900	0.3
179.03471	0.7
180.04167	0.3
181.01424	8.4
181.04962	1.8
182.02205	12.4
183.02971	15.7
184.03581	0.8
186.01448	0.2
187.03970	0.3
191.03432	0.4
194.02161	0.3
195.02985	5.3
196.03754	2.1
199.07660	0.9
201.05666	0.3
201.09254	0.4
203.03548	0.4
203.07063	0.4
207.02997	0.5
207.04918	0.4
208.03757	3.4
209.04536	2.8
215.07092	0.6
217.05096	0.3
217.08730	0.5
219.06659	0.5
221.04601	0.3
223.06000	0.2
227.07141	0.4
229.63333	0.3
230.05994	0.2
231.06606	0.5
234.01637	0.3
241.04968	0.4
241.08586	1.0
243.03033	0.3
243.06613	0.6
245.04527	0.4
245.08255	0.4
254.07585	0.2
255.02939	0.4
257.08191	0.8
259.06088	12.6
260.06696	0.6
273.07675	0.6
285.04144	0.2
285.07666	0.9
286.04803	0.3
287.05594	6.7
288.06067	0.4
301.07196	0.6
302.07950	24.2
303.07684	2.0
304.05893	0.3
305.06573	0.6
306.07550	1.4
327.07230	0.6
329.06430	0.4
345.08292	9.4
346.06888	8.6
347.07748	3.9
371.09802	3.9
381.11938	0.4
417.08252	0.4
420.74869	0.2
437.57434	0.2
467.11896	0.6
487.12469	0.5
491.11798	0.4
509.12973	100.0
510.13312	5.7
576.99445	0.2
600.24756	0.2
997.25751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52170	0.3
72.02846	0.2
77.01386	0.2
78.95904	6.3
80.96495	0.2
88.98807	0.4
123.79471	0.2
140.01172	2.0
152.99570	0.8
171.00670	0.2
196.03732	1.2
214.04858	2.6
261.22205	0.2
277.21951	0.2
279.23270	100.0
280.23611	3.9
332.68930	0.2
476.27798	55.8
477.28079	2.7
734.42371	0.2
791.53046	0.2
995.45258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67789	1.2
76.57748	0.2
81.03454	2.6
83.01376	1.9
95.05070	0.4
123.04525	23.0
124.04900	0.4
125.02439	4.1
146.82887	0.2
149.02454	1.0
151.00351	1.5
163.04034	0.7
166.42261	0.2
167.03490	100.0
168.03847	2.0
169.95590	0.2
191.03474	0.8
209.04514	1.0
256.69171	0.3
329.08762	35.0
330.09106	1.4
675.16199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.4
71.01389	0.5
71.06799	0.3
77.03958	0.3
83.01371	0.9
85.02966	0.3
93.03465	0.3
97.02927	0.5
99.00887	0.4
101.02367	0.3
108.02119	0.2
109.02955	0.6
111.00883	1.0
113.02467	0.2
119.05022	13.3
121.02910	0.6
123.04483	0.3
125.02399	0.5
133.02966	2.9
134.03763	0.2
135.04523	2.5
137.02440	2.5
139.00365	0.7
139.03984	0.9
140.01099	0.3
141.01956	1.5
142.52443	0.2
145.02966	0.2
151.03973	0.4
153.01923	2.2
155.03523	0.4
156.82242	0.2
161.02434	12.2
162.02731	0.3
163.04001	11.0
165.01909	3.2
165.99046	0.8
166.99918	0.6
175.03899	0.2
177.02028	0.3
179.03496	2.1
181.01396	2.7
182.02196	46.3
183.02968	54.0
184.03281	1.5
193.04929	0.3
194.02318	0.3
195.02946	1.5
196.19196	0.2
198.58237	0.2
203.03497	0.8
207.02975	0.5
207.04956	0.2
217.77132	0.2
219.02811	0.2
225.04039	0.4
226.15944	0.2
227.07077	0.8
237.03920	0.2
255.10226	0.2
281.08286	0.4
303.07343	0.3
306.07724	0.3
323.07687	8.1
327.07172	0.8
341.08908	0.5
345.08234	100.0
346.08572	3.8
487.12427	12.1
488.12793	0.9
507.11432	3.1
517.98962	0.2
627.75385	0.2
833.22400	0.2
995.24219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.4
69.34119	2.4
71.01379	0.7
72.99308	2.7
75.00880	0.5
81.03450	0.5
83.01350	2.0
85.02945	0.8
93.03466	0.9
97.02953	0.9
98.20608	0.6
99.00867	0.7
101.02439	0.3
105.26137	0.3
107.05018	0.3
108.02135	0.7
109.02940	6.7
111.00869	1.9
113.02419	0.8
121.02943	1.1
123.00822	0.4
123.04498	1.5
125.02410	0.8
127.03989	0.4
129.01945	0.3
134.03798	0.4
135.04520	13.5
136.04785	0.4
136.18495	0.3
136.98793	0.4
137.02438	10.3
138.03181	0.4
139.00374	1.1
139.04024	1.9
140.01170	1.1
141.01927	4.8
151.04010	1.1
152.04793	3.7
153.01924	6.4
155.03558	0.4
161.02435	0.3
163.03955	1.0
165.01913	10.6
165.05554	0.6
165.99060	0.7
166.02675	0.7
166.99844	0.7
167.03430	1.5
171.07480	0.3
177.01909	0.5
179.03494	2.9
180.04254	1.3
180.99809	0.3
181.01419	7.5
181.05040	11.5
182.02196	60.0
183.02965	70.3
184.03705	3.2
191.03436	0.4
193.01430	0.8
194.02116	0.6
195.02985	2.5
196.03738	1.1
197.04546	2.6
203.03447	0.6
207.02985	1.0
207.05046	0.7
208.03757	22.7
209.04514	13.4
221.04552	0.7
225.04031	0.9
237.04224	0.4
261.06216	0.4
285.04108	1.2
303.07239	0.9
318.07349	2.2
327.07199	6.7
345.08224	100.0
346.08530	4.1
362.06226	0.7
363.07297	0.5
371.09781	23.6
372.10028	0.8
394.49643	0.3
525.12457	79.1
526.12775	5.5
658.50696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.7
69.03455	1.9
69.28333	1.9
71.01397	1.0
77.03949	1.3
79.01891	0.5
81.03438	1.5
83.01384	6.1
83.01889	0.3
85.02959	0.9
93.03452	1.5
95.01388	1.3
95.05032	0.6
96.99343	0.2
97.02956	2.1
99.00874	4.8
99.04514	0.5
101.02460	0.3
104.18250	0.2
105.03520	0.2
107.05054	0.2
108.02144	0.4
109.02943	4.1
110.00101	1.2
111.00881	5.1
111.04510	0.6
113.02459	0.6
117.03456	1.4
119.05021	13.2
120.05363	0.2
120.35717	0.2
121.02950	3.0
123.00882	1.0
123.04509	0.9
125.02442	2.1
127.04066	0.3
128.03551	0.3
133.02934	0.5
135.00853	0.7
135.04503	0.8
136.98813	2.8
137.02441	9.2
139.00371	4.0
139.03999	1.8
140.01181	1.7
141.01941	8.0
143.04976	0.8
145.02943	4.1
145.06584	0.8
147.04601	0.3
149.02364	0.5
149.06201	0.2
150.03207	0.2
151.00374	0.4
151.04005	1.4
153.01930	33.1
154.02489	0.4
155.03468	0.8
159.04523	0.2
161.02428	0.5
163.04004	6.0
165.01917	10.1
165.05579	0.4
165.99019	2.0
166.02686	1.3
166.99889	1.5
167.03503	1.7
177.01895	0.7
177.05515	0.3
178.05872	0.2
179.03511	1.1
181.01421	37.8
182.02197	85.6
183.02965	100.0
184.03279	1.6
186.01674	1.1
187.03915	0.3
191.03479	0.4
193.01367	0.6
193.05038	0.9
194.02249	1.1
195.02969	2.9
195.04536	0.5
197.06113	0.3
203.03543	0.3
207.03041	2.6
207.04938	0.5
209.04469	0.5
209.06198	0.4
219.03009	0.5
222.06831	0.3
223.07660	2.6
224.08391	0.3
225.04054	1.4
234.01688	0.2
235.07640	0.3
237.03961	0.7
237.09190	2.9
238.09595	0.2
239.10741	1.0
249.04041	0.9
258.08243	0.2
261.06186	0.4
265.08716	0.4
283.09753	4.9
285.06223	1.1
301.03546	0.2
303.07257	1.1
307.08118	0.3
309.07074	0.5
327.07071	32.2
328.07611	0.7
345.08231	88.6
346.08606	2.5
449.10907	0.2
491.11914	30.8
492.12256	1.4
611.17731	4.7
612.17957	0.5
637.15680	3.2
655.16638	14.8
656.16577	1.3
770.61652	0.3
799.20398	1.0
899.23462	0.2
941.23773	0.4
983.24524	19.7
984.25110	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	985.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66387	0.5
71.01379	2.2
72.99303	0.4
73.67823	0.2
75.00864	0.4
80.71736	0.1
83.01387	2.4
85.02946	1.4
87.00879	0.4
89.02460	0.2
91.01900	0.4
93.03467	0.9
95.01388	0.5
99.00879	0.6
100.12737	0.1
103.00368	0.6
103.54021	0.2
107.01385	7.6
108.02235	0.2
109.02951	3.6
111.00885	0.2
113.02453	1.5
115.00329	0.2
115.41970	0.1
119.01379	0.6
121.02949	6.3
122.03305	0.2
123.00870	0.4
124.01688	0.2
125.02447	0.4
135.00859	0.6
137.02448	0.3
139.03996	0.6
143.04961	0.2
147.04515	0.3
148.01631	0.2
149.02422	1.2
151.00359	33.0
152.00748	0.6
157.06541	0.3
159.04558	0.7
161.02444	0.5
161.06096	0.2
163.00375	4.3
163.03961	0.4
164.01086	0.6
165.01959	0.2
167.04977	0.4
169.01440	1.4
171.04494	0.2
173.06155	0.4
175.02475	0.7
175.03963	0.4
178.99852	15.1
180.00171	0.3
183.04488	0.9
185.06116	0.4
187.03987	1.0
189.05495	0.2
190.99846	0.9
192.00688	0.8
193.01381	0.7
199.03952	0.3
200.04764	0.2
201.05533	1.2
203.03465	0.5
205.05002	0.2
206.02109	0.2
211.03961	1.9
213.01930	0.2
213.05453	0.2
214.02457	0.2
215.03491	0.4
216.04449	0.2
217.04990	0.2
227.03474	1.8
228.04201	0.4
229.05016	2.1
234.01677	1.6
235.02470	1.7
239.03444	0.8
240.04167	0.2
243.02979	0.6
245.04520	3.4
255.02972	4.9
256.03619	0.5
257.04538	0.6
259.02640	0.2
266.02182	0.4
271.02493	0.7
272.03589	0.2
273.03983	2.8
283.02429	2.6
284.03024	0.3
299.02151	0.3
300.02786	0.6
301.03503	100.0
302.03845	4.4
345.92465	0.2
397.07718	1.2
477.06702	86.2
478.07016	5.1
507.11407	2.6
517.45270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
71.01380	18.0
71.11275	0.5
71.52016	0.7
72.99305	1.4
73.02943	2.7
73.78532	0.4
81.03444	1.0
83.01392	1.9
83.05081	0.7
85.02953	4.5
87.00879	3.5
89.02437	14.3
95.01353	1.0
97.02942	3.5
99.00923	0.7
101.02437	12.8
109.22346	0.5
111.04543	0.6
113.02445	6.4
115.20316	0.5
116.92819	1.5
119.03516	4.0
124.50658	0.5
125.02438	6.2
131.03528	0.4
133.05040	0.9
139.03970	0.5
141.01984	0.5
143.03490	1.8
144.43544	0.5
161.04610	3.0
169.05029	0.5
179.05618	2.7
179.14391	1.2
195.13913	8.5
196.14537	0.7
204.77695	0.4
205.12292	1.1
205.15919	0.5
221.06697	1.1
223.13376	5.1
235.08194	7.4
242.26372	0.5
253.09288	1.2
256.13065	1.2
263.07608	0.6
265.21600	0.7
275.20157	3.8
279.23276	47.0
280.23599	2.1
287.07632	2.6
293.21210	100.0
294.21478	4.5
305.08838	2.8
323.09808	1.2
379.12335	0.6
396.69092	0.5
397.13467	74.8
398.13925	2.3
415.14532	22.8
416.14774	0.5
633.01764	0.5
677.37549	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	975.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28795	3.2
71.01389	1.2
71.03156	0.3
73.92950	0.4
83.00385	0.4
85.02946	0.9
93.03443	1.2
105.03454	0.5
107.05057	0.7
109.02940	1.2
113.02448	0.9
117.03468	4.0
119.05022	39.1
120.05367	0.9
121.02994	0.6
132.02151	1.4
133.02953	27.2
133.06544	0.9
134.03778	2.8
135.04523	58.9
136.04860	1.5
137.02425	1.0
141.01935	1.3
145.02948	12.8
147.87271	0.5
149.06036	0.6
153.01871	0.7
159.04512	1.3
161.02432	100.0
161.06065	1.8
162.02769	2.3
163.04002	41.1
164.04326	0.9
165.01907	1.0
167.03503	0.7
175.03986	1.2
177.05585	1.3
178.02585	0.5
179.03488	63.4
180.03836	1.7
181.01364	1.8
182.02168	2.6
183.02942	2.7
187.03992	4.6
188.04475	0.4
195.02994	1.2
203.03455	3.5
205.05045	0.6
208.03659	0.4
221.04489	1.1
227.07042	1.1
255.10217	0.7
259.06171	2.1
285.07516	0.4
287.05600	1.1
302.07944	5.5
303.08264	0.6
306.07611	0.4
307.08298	0.9
323.07693	35.3
324.07980	1.6
325.09180	1.3
341.08664	2.5
345.08383	2.0
346.06927	1.8
347.07651	0.8
371.09851	0.9
487.12442	100.0
488.12747	6.3
509.12967	21.4
510.13062	1.7
511.14032	0.4
651.16687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25819	0.8
71.01376	10.1
71.52321	1.4
72.99310	1.2
73.02940	2.1
73.13033	0.8
75.00861	2.0
78.98598	6.8
79.95738	14.4
80.96515	70.8
83.01366	1.3
85.02948	3.7
87.00871	4.4
88.98794	1.6
94.98087	16.1
96.95979	2.4
97.02943	2.2
101.02431	2.3
106.98079	3.8
115.00335	3.6
116.92821	1.4
122.97556	3.9
125.02429	4.1
127.03936	1.1
134.97603	5.6
135.03020	1.1
136.99101	1.7
148.99164	6.4
152.98602	7.0
164.98608	11.9
167.00084	0.9
170.76590	0.8
174.85982	1.0
175.02477	3.2
190.46928	0.9
192.06778	0.8
196.79591	0.9
206.99699	2.8
225.00739	24.1
277.21756	1.8
279.22495	0.9
524.16022	0.9
526.97162	1.1
559.25647	2.2
771.39807	1.7
787.38782	4.4
903.40363	2.7
945.41455	1.7
963.42517	100.0
964.42535	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	964.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	40.9
80.96484	10.1
87.00868	12.5
89.02428	21.6
101.02440	25.5
113.02408	13.6
119.03548	12.2
131.07065	10.5
165.43445	10.8
175.02496	9.9
180.32199	9.4
182.02274	13.1
211.13406	100.0
212.13666	42.7
213.14056	18.1
277.21722	63.2
278.22055	46.5
279.22272	15.1
345.08130	11.3
380.12787	15.6
397.13434	35.2
398.13919	22.9
399.13815	12.3
417.27420	10.8
734.40265	12.2
946.50769	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	965.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91037	0.2
70.91540	0.1
71.01363	0.2
75.56205	0.2
81.03470	0.2
85.02961	0.2
91.05562	0.2
106.04242	0.3
107.05025	0.8
109.02971	0.2
113.02481	0.2
117.03502	0.4
132.02162	0.2
133.02954	5.3
134.03749	3.8
135.04518	94.9
136.04822	2.3
145.61246	0.2
147.04556	0.2
149.06076	0.5
153.39615	0.2
161.02432	20.8
162.02795	0.6
171.55052	0.2
175.03963	1.4
177.05559	0.8
179.03484	100.0
180.03833	2.4
203.03488	10.1
204.03737	0.3
206.54497	0.2
221.04523	0.6
229.58319	0.2
285.04013	1.0
301.03610	0.2
323.07663	4.2
324.08319	0.2
341.08807	4.3
461.06723	0.3
503.11920	70.3
504.12265	5.0
814.60419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.2
70.00578	0.8
70.00964	0.8
71.01379	17.0
72.99307	1.4
73.02940	2.1
75.00867	0.5
81.03425	0.7
83.01393	1.8
83.46117	0.4
85.02942	3.8
87.00871	5.2
89.02442	13.4
89.60750	0.3
90.81105	0.4
91.03998	0.4
95.01374	1.4
96.96000	0.6
97.02956	2.9
98.19944	0.4
99.00891	0.7
101.02444	13.2
109.02953	0.6
113.02444	7.5
115.03982	0.4
119.03484	2.9
125.02443	5.7
126.02711	0.4
127.04040	0.4
131.03497	0.7
133.05067	0.6
136.89180	0.6
139.04039	0.6
143.03491	3.1
161.04538	3.6
167.03467	0.7
167.14400	0.6
171.10275	0.5
175.02458	0.6
179.05606	3.4
183.13892	6.6
185.04587	0.6
193.12311	1.9
199.06061	0.4
211.13379	100.0
212.13762	3.2
217.07155	1.2
221.06711	1.5
235.08200	5.6
253.09305	0.7
255.23393	0.5
259.08261	1.0
263.07626	0.7
277.21701	57.9
278.22086	2.8
287.07675	1.4
305.08765	1.7
323.09787	1.5
361.11478	0.6
379.12408	15.8
380.12933	0.7
397.13474	41.9
398.13821	2.0
415.14551	6.8
415.20044	0.8
591.26489	11.8
592.26398	0.8
609.27496	8.6
610.28619	0.5
657.34851	4.3
658.35425	0.5
675.35785	7.2
701.45361	0.4
869.48792	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	962.459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.0
71.00326	1.0
71.01380	12.6
71.35558	0.6
71.52109	0.6
72.99297	4.6
73.02939	1.4
75.00868	20.7
79.80721	0.6
79.95732	1.5
80.96514	3.6
81.03468	0.8
83.01392	2.1
85.02958	4.8
87.00868	23.5
88.01218	0.9
89.02435	1.3
89.07183	0.6
94.98060	0.8
95.01388	0.7
95.05008	1.0
97.02943	2.3
97.06599	0.7
99.00868	1.8
99.04466	0.6
101.02438	2.4
104.93555	0.7
109.02932	2.4
112.98828	0.6
113.02439	2.8
113.85556	0.5
115.00370	46.3
115.03982	1.0
116.00713	1.4
123.04514	1.6
125.02454	1.6
126.43614	0.6
127.00380	0.9
127.04020	2.7
129.01941	0.7
135.02994	2.0
139.00342	0.7
161.04564	0.9
169.05055	2.2
169.12376	0.9
171.02971	1.1
171.10260	14.7
175.02467	100.0
176.02771	3.2
177.03003	0.9
193.12234	1.5
195.13947	2.0
197.11819	15.5
209.11852	1.1
211.13535	0.8
221.11853	2.2
223.13440	1.1
225.00768	1.4
226.71439	0.6
229.59006	0.6
231.05157	0.8
235.08192	1.6
235.13562	0.6
239.12891	2.2
241.14474	1.0
245.11816	1.4
251.13034	0.7
253.09161	3.5
253.14389	0.8
263.12912	1.2
267.12408	2.7
277.21701	36.8
278.22037	2.8
285.13461	7.6
297.13342	1.4
426.37521	0.7
470.95764	0.7
503.21359	4.4
513.30981	1.0
521.22461	2.4
737.41187	2.4
753.44177	1.2
759.43811	1.6
763.42419	0.9
765.44061	1.0
777.43195	2.2
779.42139	11.0
781.43756	78.0
782.43854	7.1
786.40710	0.8
793.43793	2.1
795.45514	1.4
803.42615	2.5
811.45172	2.2
821.43219	18.8
822.43408	1.7
839.44318	8.0
881.45636	1.3
962.46954	2.2
963.42914	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	960.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	8.6
71.01775	0.4
72.99304	1.6
73.02926	0.5
75.00884	0.9
76.73995	0.3
78.95899	0.4
80.96499	0.5
83.01369	0.7
85.02932	1.2
85.27712	0.3
87.00874	19.1
88.98808	0.7
98.19886	1.0
101.02449	1.0
111.00892	0.7
112.49570	0.4
112.98826	0.7
113.02436	0.9
113.66573	0.3
115.00369	36.2
116.00744	0.4
127.00349	0.5
133.41711	0.4
135.02985	1.4
139.00357	0.6
142.99893	0.6
147.02959	0.4
157.01410	1.5
166.02338	0.4
175.02464	100.0
176.02847	1.8
203.77203	0.4
209.11777	3.5
227.12918	0.5
235.08195	0.4
239.12700	0.4
247.09804	0.4
253.09302	0.5
277.21701	9.0
279.23193	1.4
298.09515	0.4
378.14243	0.4
445.20880	0.4
507.27399	0.6
581.11127	0.5
588.05408	0.4
589.09210	0.4
761.40936	4.7
762.41541	1.0
763.42902	0.9
779.42413	3.2
801.40302	0.5
835.44861	0.9
837.43036	0.7
861.42670	0.5
879.44843	1.0
929.31970	0.4
960.50238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50826	0.7
71.51996	1.0
74.24717	0.7
82.78632	0.8
83.01397	1.0
101.65804	0.7
107.01401	1.4
108.81770	0.8
109.02951	1.0
114.98723	0.6
121.02941	4.2
148.01688	0.7
151.00360	6.8
153.01945	1.6
163.00323	2.2
165.01846	1.1
178.99829	4.2
181.01384	2.2
182.02232	5.3
183.02925	6.5
184.03294	2.0
211.03894	1.0
227.03497	1.7
243.02991	2.9
255.02974	9.5
256.03342	1.0
271.02457	19.4
272.02957	1.5
273.03775	0.7
300.02722	48.7
301.03485	39.2
302.03815	2.5
327.07086	4.2
328.07510	1.7
345.08185	6.0
346.08557	2.7
387.09375	2.8
388.09720	1.4
447.09290	100.0
448.09595	8.5
509.13132	1.6
510.13541	1.3
515.17279	0.8
531.77563	0.7
732.64862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.6
71.34408	0.4
71.52331	0.6
83.01396	2.3
107.01373	1.9
108.02161	0.7
109.02943	0.6
111.00872	0.5
121.02934	1.1
125.02443	0.7
130.99384	0.4
132.37944	0.4
137.02440	1.1
139.00368	0.7
141.01941	1.0
145.02853	0.5
151.00356	5.9
153.01889	1.1
154.03827	0.4
157.69402	0.5
163.00365	1.0
164.01262	0.4
165.01917	1.9
169.01443	1.3
172.88466	0.4
178.99852	3.6
181.01381	1.2
182.02209	22.4
183.02974	16.2
183.62842	0.4
184.03351	0.5
195.02950	0.4
211.03941	0.6
216.04129	0.4
226.02815	1.0
227.03467	1.2
234.41122	0.4
235.03221	0.4
243.02974	4.8
245.04369	0.5
254.02202	1.2
255.02971	13.8
256.03394	1.0
264.54782	0.4
271.02454	28.1
272.03091	2.1
273.04129	0.7
273.72031	0.4
299.01807	0.6
300.02725	63.7
301.03455	18.2
302.03726	0.9
343.04404	0.8
345.04816	1.1
345.08246	19.4
346.08481	0.9
609.14557	100.0
610.14911	8.9
807.81238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.6
71.01375	0.7
77.00381	0.2
77.03960	0.7
81.03436	0.5
83.01366	3.3
85.02942	0.7
93.03438	0.6
95.01366	0.6
95.05030	0.4
97.02938	1.1
99.00867	0.8
102.39581	0.2
107.01379	1.3
108.02203	0.6
108.21519	0.3
109.02949	2.7
110.00066	0.4
111.00891	2.0
111.04493	0.3
113.02423	0.3
119.01428	0.3
119.05040	1.7
121.02950	33.2
122.03304	0.5
123.00863	0.9
123.04546	0.6
123.55422	0.3
125.02418	0.7
135.00916	0.6
135.04543	0.3
136.98787	1.4
137.02438	4.8
139.00337	1.6
139.03981	1.3
140.01135	0.7
141.01920	2.9
149.02449	0.3
151.00348	5.1
151.03973	0.7
153.01930	20.0
154.02298	0.6
155.03488	0.5
161.02501	0.4
163.00352	1.1
163.03961	0.8
164.01086	0.5
165.01920	6.4
165.05553	0.4
165.99048	1.1
166.02686	1.0
166.99919	0.7
167.03502	1.3
169.04984	0.3
177.01945	0.7
178.99861	2.4
181.01418	29.4
181.04973	5.3
182.02194	68.6
183.02963	80.5
184.03293	1.8
187.04100	0.3
191.03430	0.3
193.01495	0.4
193.05034	0.7
194.02161	0.7
195.02968	2.0
203.03577	0.3
207.02975	1.6
207.04955	0.5
211.04042	0.6
225.04034	1.1
226.02695	0.3
227.03477	1.1
229.13559	0.2
235.02295	0.4
236.03154	0.3
237.04063	0.4
243.02971	2.6
245.04533	0.4
249.04041	0.6
254.02209	0.8
255.02966	7.9
271.02441	13.9
272.03027	0.9
273.04013	0.6
283.02521	0.8
285.06174	0.6
299.01917	0.4
300.02722	27.5
301.03488	19.3
302.03809	0.9
303.07230	0.5
327.07184	47.3
328.07489	1.3
345.08231	100.0
346.08499	4.4
387.09305	42.8
388.09695	2.1
447.09277	41.6
448.09442	2.3
491.05316	0.4
491.11932	5.1
492.12408	0.5
509.12946	33.8
510.13107	2.5
530.93475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74592	0.1
69.03475	0.5
71.01379	0.8
73.66891	0.1
81.03443	0.3
83.01376	0.4
85.02943	0.3
89.02448	0.4
93.03448	1.3
95.01389	0.2
95.05000	0.3
97.02940	0.6
98.27699	0.1
99.00877	0.5
101.02420	0.2
108.02176	0.9
109.02950	3.8
111.00873	0.2
111.04502	0.1
113.02429	0.5
115.00361	1.1
117.03444	0.1
119.05030	0.7
121.02965	1.2
122.03754	0.5
123.04517	1.9
125.02439	1.3
133.01448	0.1
133.02939	0.3
135.04538	0.5
137.02443	1.5
139.00317	0.3
139.03966	0.5
143.04970	0.2
145.02922	0.3
145.06607	0.1
146.03719	0.3
147.04506	0.4
149.02431	0.3
150.03156	0.1
151.03957	0.7
157.01392	0.4
157.06601	0.2
159.04491	0.5
159.25674	0.1
160.05257	0.2
161.02406	0.4
161.04678	0.2
161.06068	0.7
162.03189	0.2
163.04039	0.2
164.01155	0.3
165.01892	0.3
167.03459	0.2
171.04503	0.4
171.08121	0.3
173.06061	0.2
174.03265	0.2
175.03963	0.2
175.07521	0.1
179.03444	0.7
179.05542	0.2
181.06564	0.3
183.08081	0.3
184.05339	0.1
185.06058	1.3
187.02548	0.1
187.03986	0.6
188.03189	0.1
188.04683	0.5
188.44971	0.1
194.01674	0.1
197.06001	0.3
198.06792	0.1
199.07623	1.0
202.06299	0.2
203.03520	0.2
203.07126	1.0
205.05043	0.6
208.05325	0.5
209.06065	0.8
210.06863	1.3
211.04237	0.1
211.07561	0.1
212.04813	0.3
215.05571	0.1
217.03430	0.1
217.08580	0.2
221.06190	0.1
221.08171	0.3
225.05595	1.0
225.09087	0.2
226.04054	0.1
226.06343	3.7
227.07118	100.0
228.07451	4.1
235.07625	0.3
238.06339	0.2
239.07120	0.4
245.08136	1.4
251.07097	0.4
253.08693	1.8
255.10245	6.6
256.10684	0.3
259.04483	0.1
262.06259	0.1
263.07169	0.3
266.05859	1.7
277.05661	0.9
279.06625	0.3
279.10046	0.1
280.07254	0.1
281.05002	0.2
281.08154	5.5
289.07159	8.4
290.07626	0.3
299.09088	0.3
325.07135	4.0
326.07501	0.3
341.10367	0.7
343.08194	6.3
344.08612	0.3
367.08572	0.1
385.09021	0.6
415.10410	0.4
445.11307	1.2
487.12311	0.6
505.13544	2.4
506.13785	0.2
522.92041	0.1
547.14655	0.3
607.16516	0.1
701.69495	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	951.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44195	0.6
71.52243	0.8
78.95901	29.5
96.96950	1.9
102.18996	0.6
103.27428	0.5
110.01793	0.7
114.93411	0.7
120.85010	0.6
152.99583	43.4
167.34956	0.6
171.00639	12.1
227.03215	2.2
245.04297	57.9
253.21710	24.8
254.22128	0.9
277.21854	0.6
354.60965	0.6
481.25708	100.0
482.25983	6.3
717.18378	0.6
836.09064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.5
71.52386	0.3
77.48031	0.3
83.01391	0.9
85.02930	0.3
97.02924	0.4
99.00870	0.7
109.02942	0.4
111.00896	0.9
113.02432	0.3
121.02938	0.5
124.43525	0.2
125.02473	0.3
133.02892	0.3
135.04526	0.4
137.02422	1.8
139.00368	1.1
139.03995	0.6
140.01198	0.4
141.01923	0.9
151.00395	0.5
151.04005	0.5
153.01920	1.6
165.01910	3.5
165.99110	0.6
166.99809	0.4
167.03429	0.3
177.01941	0.6
178.99890	0.3
179.03516	0.5
181.01443	2.5
182.02197	48.5
183.02968	54.1
184.03317	2.1
193.05151	0.3
195.02997	1.7
207.02864	0.5
225.04105	0.4
255.02927	1.0
271.02423	1.8
300.02798	3.2
301.03537	2.2
330.48505	0.3
345.08240	100.0
346.04398	0.3
346.08597	5.5
347.08713	0.7
387.19278	0.2
447.09311	3.4
507.11298	2.3
522.08289	0.4
648.23901	0.3
884.56396	0.3
933.83191	0.3
937.92719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62232	0.2
69.03458	0.4
70.89764	0.5
71.01366	0.6
77.03922	0.2
81.03452	0.2
83.01378	0.9
85.02939	0.3
87.00864	0.3
93.03444	0.2
96.89639	0.2
97.02936	0.5
99.00885	0.6
101.02467	0.2
109.02972	0.2
111.00882	0.8
111.04477	0.2
113.02415	0.2
118.90950	0.2
121.02899	0.4
123.04532	0.4
125.02437	2.6
129.01959	0.2
133.03004	0.2
135.04533	0.5
137.02458	2.1
139.00360	0.7
139.03969	0.6
140.01125	0.4
141.01949	1.5
145.02968	0.2
151.00342	0.5
151.03978	0.5
152.01149	0.2
153.01936	1.9
155.03441	0.3
161.02411	0.4
162.97621	0.2
163.03987	0.2
165.01930	2.8
165.99039	0.7
166.99840	0.6
167.03450	0.3
167.64151	0.2
175.03999	0.6
177.01941	1.1
178.99940	0.4
181.01416	2.7
181.05144	0.2
182.02196	44.2
183.02965	51.6
184.03374	1.1
186.01685	0.2
189.05559	0.2
193.05058	0.3
194.02254	0.2
195.02975	1.6
199.04021	0.3
207.03058	0.3
207.05060	0.5
217.05066	0.3
225.04076	0.5
275.05447	0.2
276.22739	0.2
285.04041	2.2
303.05035	4.0
327.07245	0.3
331.59027	0.2
345.08228	100.0
346.08560	4.5
447.09360	0.4
507.11456	2.4
508.12091	0.3
564.32977	0.2
578.73871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	7.1
71.51404	1.7
80.96508	2.6
83.01376	1.6
85.02931	1.3
87.00873	16.2
94.98086	1.1
99.00822	1.2
115.00368	32.2
122.95569	1.1
139.00378	2.8
152.12386	1.1
157.01387	5.4
175.02469	100.0
176.02826	1.9
191.43315	1.2
209.11780	3.3
227.12859	1.5
233.04977	1.1
241.14517	3.5
253.09415	1.3
277.21686	6.5
278.22031	1.6
397.13541	1.3
543.82617	1.3
686.49719	1.3
765.44128	7.4
779.46301	1.6
783.44562	2.3
803.44708	1.5
821.47174	1.5
823.44653	4.6
826.55200	1.4
946.50885	5.4
947.42798	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	949.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	26.0
72.99313	12.4
75.00868	28.8
81.03464	2.8
83.01388	4.6
85.02964	16.6
85.93981	3.3
87.00868	36.5
89.02453	4.4
95.46091	2.9
96.96017	16.6
97.02943	7.0
97.06580	2.8
101.02426	7.8
109.02928	3.1
113.02473	6.1
115.00378	56.0
125.02435	3.6
128.03539	3.0
129.01952	2.9
135.02974	4.9
143.04593	6.5
169.05179	2.6
169.12375	8.5
171.10269	45.5
175.02472	100.0
176.02791	5.5
193.12393	5.6
195.13788	4.7
197.11815	39.1
207.10217	4.4
209.11827	7.5
211.13383	18.2
221.11731	5.8
229.14403	13.0
235.08075	4.3
239.12852	6.0
253.09283	10.2
267.12543	4.5
285.13400	15.1
291.19574	4.8
306.07675	4.4
309.20609	3.1
327.21704	60.8
328.21921	3.9
521.22272	7.5
563.30756	3.9
626.49493	3.1
717.40833	4.0
809.43512	5.2
813.41913	5.3
827.40894	3.9
829.42206	8.0
831.43878	98.2
832.44171	12.6
840.18042	3.5
861.44708	4.8
871.43158	22.1
889.44513	4.0
949.42133	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	944.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	17.8
71.52490	6.7
72.99326	6.7
74.02465	15.4
75.00867	23.2
81.03416	5.4
83.05013	7.5
86.02465	6.1
87.00872	20.1
88.54563	5.1
99.05650	15.6
101.02406	6.6
113.02422	5.7
115.00356	40.5
123.05643	8.5
128.03529	26.5
143.04608	40.3
160.00697	17.1
171.10168	26.7
175.02478	95.3
176.02803	9.6
177.03380	5.1
179.04509	6.7
183.03009	7.6
190.12337	13.4
190.88667	4.9
197.11842	18.6
208.13411	13.0
209.11807	100.0
209.13753	6.0
210.08722	6.2
210.12128	6.5
221.11676	5.6
227.12814	7.2
232.17029	19.3
234.14943	9.7
245.08284	5.6
253.09340	5.6
254.07848	6.4
263.02936	5.1
270.52933	5.6
272.08810	14.2
285.13422	18.2
306.07596	72.3
395.33261	6.5
695.31598	6.8
713.34265	26.8
731.34717	95.6
732.35736	10.7
761.36047	13.8
771.33899	5.9
789.34851	7.5
803.37036	19.1
944.40521	61.8
945.40735	10.2
977.74329	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	946.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	11.3
71.52319	2.9
74.73730	2.0
75.00890	2.2
80.96522	4.6
83.01389	4.9
87.00856	13.1
89.02453	3.4
92.85761	2.3
95.56776	2.9
99.00863	4.1
101.02453	2.4
111.00845	3.5
115.00375	38.7
125.02530	2.5
139.00352	4.1
147.30418	2.0
157.01418	8.8
158.33479	2.2
162.92430	2.3
175.02469	100.0
176.02760	3.6
209.11798	13.1
260.39020	2.8
268.22003	2.4
277.21619	13.6
278.22116	4.3
397.13391	4.6
464.30280	2.5
471.86948	2.3
520.10864	2.5
765.44574	7.7
766.44098	3.4
804.75665	2.9
823.44562	4.1
947.42139	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	943.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.7
69.94014	5.0
69.94429	8.7
71.01377	17.1
85.02934	7.0
87.00875	6.7
89.02446	9.4
97.02944	11.0
98.19994	4.4
99.00846	14.2
101.02418	8.3
113.02424	6.9
125.02441	7.9
125.09730	5.6
138.87674	2.7
163.11212	6.4
181.12334	14.6
185.93901	2.6
207.10240	49.9
221.52634	2.5
225.00615	2.6
225.11299	86.1
226.11504	2.8
239.12840	2.7
243.12375	28.8
277.21680	44.7
299.17993	2.8
397.13303	7.5
605.24493	27.3
606.25061	3.2
623.25732	21.8
883.46948	100.0
884.47241	16.6
943.48389	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	941.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98544	0.1
68.99801	0.1
69.40342	1.0
71.01376	2.2
72.99297	0.3
75.00861	0.3
83.01385	2.4
85.02946	1.4
87.00902	0.2
89.02438	0.2
91.01888	0.5
93.03452	1.0
94.71880	0.1
95.01380	0.5
98.16787	0.1
98.19901	0.3
99.00871	0.6
103.00342	0.4
107.01383	7.2
108.02199	0.2
109.02221	0.3
109.02946	3.6
113.02459	1.3
119.01394	0.4
121.02947	6.4
123.00851	0.2
124.01659	0.2
125.02425	0.4
135.00850	0.4
137.02467	0.3
138.72603	0.1
139.03989	0.4
147.00862	0.2
147.04543	0.2
148.01630	0.4
149.02423	1.1
151.00357	29.9
152.00739	0.7
153.01886	0.2
154.37303	0.1
155.05063	0.2
159.04498	0.6
161.02412	0.3
161.06104	0.2
163.00372	4.0
163.04002	0.4
164.01106	0.7
165.01947	0.3
167.05046	0.4
169.01511	0.8
171.04541	0.3
173.06108	0.4
175.02470	0.9
175.03970	0.3
177.05714	0.2
178.99849	13.4
180.00203	0.4
183.04510	0.9
185.06029	0.4
187.04019	0.9
189.01872	0.2
189.05502	0.2
190.89728	0.1
190.99892	0.3
192.00616	0.5
193.01352	0.5
199.03984	0.6
201.05548	1.3
203.03496	0.5
205.04987	0.3
211.03992	1.9
212.04742	0.3
213.01871	0.3
213.05479	0.2
214.02657	0.6
215.03459	0.3
216.04146	0.2
221.74844	0.1
227.03516	1.6
228.04106	0.3
229.05052	1.8
230.02013	0.1
239.03502	0.8
240.04042	0.2
242.02161	0.4
243.02914	0.5
245.04491	3.1
246.04785	0.2
250.15881	0.1
255.02972	4.7
256.03574	0.4
257.04578	0.8
259.02469	0.6
266.02167	0.6
270.01575	0.7
271.02451	3.8
272.03098	0.4
273.04001	2.3
283.02463	2.7
284.03134	0.2
287.01917	1.5
288.02505	0.2
299.01953	0.1
300.02725	0.5
301.03494	100.0
302.00424	0.3
302.03815	4.1
315.01791	0.2
316.02197	7.2
317.02768	1.5
463.08792	6.0
464.09042	0.4
477.06699	76.6
478.07059	5.0
658.78790	0.2
725.87494	0.1
842.88251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81932	7.0
68.99573	83.3
69.53661	17.7
69.54070	23.4
69.66088	7.5
71.01385	23.2
83.64668	6.8
85.02936	9.0
87.00894	11.7
89.02422	13.7
90.77227	6.6
92.95773	6.5
96.17522	6.9
101.02438	11.4
112.98582	80.2
113.54961	7.8
115.00387	14.0
116.92845	32.5
139.76714	6.8
151.91623	7.8
175.02544	39.7
204.33072	7.7
211.13370	100.0
227.77954	8.3
277.21738	68.1
379.12460	17.8
394.61713	7.5
397.13602	55.2
414.20297	9.4
415.14337	10.7
591.26770	18.7
610.87573	10.0
657.34540	13.3
675.35791	14.8
767.49072	9.6
824.84576	8.6
869.49225	20.3
937.49554	90.0
938.47943	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	937.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70295	5.0
67.38904	4.9
68.99565	20.4
69.39040	5.7
70.06837	15.8
71.01373	13.9
84.34512	5.2
99.92584	16.6
101.02424	6.5
104.43863	4.9
112.98546	19.1
115.64686	5.7
116.92847	100.0
117.01943	8.0
198.50072	6.3
211.13361	60.2
212.51425	6.1
214.31290	6.4
226.08499	5.6
245.01715	6.4
255.23308	6.8
277.21664	35.6
332.49042	6.3
379.12463	15.5
397.13345	27.7
591.26544	23.1
609.27625	14.4
657.34888	6.6
677.97424	6.4
869.49017	11.1
937.49359	72.8
938.50214	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	939.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	1.6
68.99812	0.2
69.20211	1.5
81.03467	0.3
83.01377	2.7
93.03428	0.2
95.01362	0.5
100.04781	0.2
107.01384	1.5
108.02214	0.4
109.02951	2.0
111.00872	0.5
119.05015	0.8
121.02954	0.8
123.00859	0.3
123.04524	2.3
124.01675	0.9
125.02442	52.9
126.02810	1.0
132.02299	0.2
133.02928	0.3
135.04494	0.4
137.02441	1.5
139.00371	0.3
139.03993	0.5
141.01920	0.2
143.05035	0.3
145.02876	0.3
146.03717	0.3
147.04491	0.8
149.02446	2.9
150.03247	1.7
151.00363	6.7
151.03999	3.1
152.01149	3.3
153.01929	9.2
154.02200	0.2
158.03691	0.2
160.05318	0.3
161.01204	0.2
161.02437	0.7
161.06088	0.5
163.00340	0.4
163.03987	0.8
165.01866	0.5
165.05513	0.3
166.02676	0.2
167.03426	0.2
171.04529	0.6
173.02414	0.4
173.06073	0.6
174.03224	1.7
175.03987	11.1
176.01326	0.2
176.04329	0.3
177.01921	11.9
178.02229	0.4
178.99843	6.6
181.01418	3.5
182.02203	3.1
183.02977	2.5
185.06096	0.2
187.04073	0.3
188.04796	0.8
188.69969	0.2
189.05557	2.2
191.03481	0.3
191.07028	0.2
193.05074	1.1
197.06100	0.5
198.03290	0.3
199.03987	5.8
201.01913	1.5
203.07104	0.2
213.05533	1.1
214.06158	0.2
215.03445	0.4
215.07146	0.3
216.04306	1.0
217.05032	6.3
219.02890	0.4
227.03502	0.2
231.06483	1.0
241.05046	4.9
242.05486	0.2
242.44395	0.2
243.02931	1.2
245.04503	0.2
255.02992	0.6
257.04498	0.9
259.06110	3.1
271.02563	1.0
275.05594	3.9
285.04028	47.1
286.04379	1.9
300.02783	2.0
301.03580	1.4
303.05072	100.0
304.05408	4.5
327.07175	2.1
345.08197	3.3
367.54807	0.2
397.07715	0.2
405.80801	0.2
447.09317	5.8
448.09753	0.3
491.12042	2.3
667.43756	0.2
939.67975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.8
75.00870	0.5
80.36095	0.2
83.01385	1.5
85.02952	1.4
87.00897	0.4
93.03457	1.3
95.01394	1.1
97.02975	0.8
98.20767	0.6
99.00851	0.4
101.07166	0.3
103.00341	0.3
103.33993	0.3
107.01385	1.4
109.02959	0.8
113.02435	2.4
117.03431	0.5
121.02962	1.4
123.00121	0.3
123.00836	1.5
123.04530	1.9
124.01653	0.4
125.02440	100.0
126.02774	2.0
133.02963	1.3
133.06561	0.3
135.04553	0.3
137.02397	2.2
139.00407	0.5
139.03995	0.3
140.01103	0.7
145.02950	0.5
149.02455	1.1
150.03214	0.8
151.00418	1.3
151.03993	6.1
153.01901	0.4
155.05006	0.3
159.04498	1.1
161.02437	20.9
162.03073	0.9
163.00359	1.2
164.01135	6.2
165.01933	6.4
166.02264	0.3
166.99849	0.6
167.03441	0.7
168.00621	0.6
169.01410	25.5
169.06578	0.6
170.01758	0.6
173.05949	0.4
174.07562	0.3
175.02473	1.2
175.03857	0.3
179.03568	0.3
183.04475	1.1
185.06056	0.7
186.88052	0.3
187.03996	1.1
197.04498	1.8
197.06042	0.5
199.03943	0.5
201.05557	1.6
203.03523	0.5
211.04024	0.5
213.05551	0.9
225.05544	1.7
226.02916	0.3
227.03441	2.0
229.05045	2.6
241.05045	1.2
243.06598	1.0
244.03636	0.3
245.04575	0.4
255.02946	0.4
257.04526	1.9
265.29211	0.3
267.02927	0.4
269.04550	7.0
270.05170	0.4
275.05551	0.4
285.04022	24.8
286.04449	1.8
287.05588	31.3
288.05984	1.3
301.07120	2.1
303.05078	7.6
304.05499	0.4
313.03516	4.2
314.86563	0.3
319.08200	12.4
320.08582	0.4
404.76224	0.3
439.06686	5.4
440.07095	0.7
451.86432	0.3
461.07242	10.5
462.07724	0.9
471.09274	49.3
472.09622	4.1
775.48566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.3
69.30947	2.7
71.01381	11.8
72.99308	2.5
73.02945	0.8
75.00860	1.3
80.96511	0.9
83.01390	1.6
85.02946	1.4
87.00872	24.0
89.00787	0.3
89.02452	0.4
90.70148	0.3
92.89005	0.3
96.96037	0.4
99.00854	0.5
101.02406	0.7
109.02985	0.7
111.00885	1.4
112.98809	1.1
113.02430	1.0
115.00370	41.0
116.00686	0.5
125.09678	0.5
127.00385	0.6
135.03000	1.8
139.00369	1.9
142.99834	0.7
147.45413	0.4
150.72119	0.3
157.01414	2.4
175.02467	100.0
176.02866	1.7
182.86977	0.3
196.47592	0.4
209.11827	5.2
221.11838	0.4
227.12923	0.5
235.08145	0.5
239.12804	0.7
253.09315	0.7
277.21692	11.7
278.22186	1.0
414.55637	0.4
481.25827	0.7
513.30530	0.8
683.40076	0.6
761.41052	4.6
763.43152	0.8
775.42719	0.7
775.95190	0.4
779.42279	2.3
793.43738	0.5
797.43134	0.6
801.40991	0.7
819.41510	0.4
835.44781	0.8
837.43207	0.7
861.43494	0.4
879.44299	1.1
933.47827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.8
69.76339	3.2
71.01379	23.5
72.99300	8.5
73.02940	2.6
75.00870	27.9
80.51004	0.7
81.03452	1.3
83.01394	1.6
83.05045	1.3
85.02941	9.4
87.00873	35.3
89.02437	3.4
92.71201	0.7
95.01347	1.1
95.05019	1.0
96.95982	1.1
97.02934	4.2
97.06600	0.8
98.00246	0.6
98.20620	1.3
99.00884	2.3
99.04539	0.7
101.02447	5.8
106.33632	0.6
109.02968	4.3
111.00864	2.0
111.08164	5.7
113.02450	5.0
115.00368	56.8
115.04020	1.7
116.00694	1.2
119.03435	1.0
123.04512	3.4
125.02464	2.5
125.09757	1.4
125.59074	0.7
127.00384	1.4
127.04031	5.0
135.02994	3.2
136.59384	0.6
137.02377	0.6
139.00372	1.2
139.04012	1.1
147.11804	0.6
147.54715	0.6
153.01883	0.9
153.12843	1.2
161.04538	1.4
165.12859	0.8
169.05049	3.4
169.12335	6.1
171.10272	23.0
172.10599	0.8
175.02466	100.0
176.02815	3.7
176.68739	0.7
179.10725	0.7
181.12337	1.8
183.13908	0.8
193.12309	2.7
195.13855	3.3
197.11815	54.9
198.12158	2.0
199.13408	1.7
205.12305	0.9
207.10272	1.7
209.11816	2.2
209.86650	0.8
211.13385	6.2
220.98592	0.7
221.11835	2.8
223.13393	2.4
225.11319	2.6
225.14941	0.8
227.12823	1.0
231.05054	0.9
235.08237	1.8
235.13403	1.7
237.11243	1.0
239.12883	5.4
241.14474	2.1
245.11856	2.6
251.12773	1.6
253.09273	7.9
253.14455	1.0
263.12811	2.0
263.20190	1.4
267.12350	2.5
285.13495	9.8
291.19672	10.8
297.13568	1.5
302.83881	0.8
309.20706	19.7
310.21118	1.1
372.57968	0.6
397.13589	1.2
407.19125	1.4
428.06488	0.8
447.70529	0.7
480.42288	0.7
503.21002	3.2
521.22174	3.5
527.28815	1.2
545.29724	3.1
699.39136	1.5
769.40253	1.7
791.42450	2.0
795.41541	1.5
809.40826	2.6
811.41040	8.6
812.40601	1.1
813.42682	61.3
814.42969	7.7
823.41156	0.8
825.43219	0.9
835.41504	2.2
843.43634	3.6
853.42279	12.7
854.42267	1.4
871.42896	4.4
931.45233	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	931.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51988	0.6
76.53416	0.4
80.82770	0.4
106.39349	0.4
107.01379	1.2
108.02173	0.5
109.02957	1.3
115.75381	0.6
121.02950	1.7
151.00348	7.6
163.00381	1.9
169.52013	0.5
178.99852	4.2
211.03973	0.9
226.02591	0.5
227.03517	1.1
229.05061	0.6
243.03032	3.3
245.04587	1.3
250.87727	0.5
254.02199	1.3
255.02991	11.7
271.02460	20.1
272.03030	1.8
273.04037	0.7
283.02338	0.8
300.02722	52.1
301.03479	39.0
302.03784	1.9
328.11542	0.5
447.09293	100.0
448.09644	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	929.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30797	2.6
71.01379	13.8
72.99310	3.9
73.02942	1.3
75.00858	1.2
76.26377	0.3
76.73148	0.3
78.95917	0.7
80.05640	0.4
83.01385	1.6
85.02964	1.6
87.00876	31.4
88.98780	0.5
89.02495	0.4
97.02949	0.5
99.00873	0.5
101.02459	0.8
109.02993	0.4
111.00873	0.7
112.98801	0.8
113.02441	2.1
115.00372	51.7
116.00710	0.8
125.09717	0.6
127.00343	0.5
127.70580	0.4
129.01981	0.5
135.02994	1.4
139.00369	0.4
142.99858	0.8
152.99561	0.6
154.08382	0.5
157.01491	0.6
175.02467	100.0
176.02803	1.9
186.52156	0.3
193.12274	0.5
195.13867	0.5
203.10706	0.7
209.11827	4.3
211.13455	0.4
213.31017	0.4
218.07072	0.4
219.10272	0.6
221.11853	0.5
221.35588	0.4
237.11354	0.8
239.12909	1.5
245.04219	1.1
247.09668	1.1
253.09242	1.3
253.21635	0.6
265.10748	0.9
277.21701	15.1
278.22116	1.0
481.25571	1.7
513.30774	0.4
761.41205	7.1
762.41779	0.9
763.41608	0.5
779.42133	3.9
780.42200	0.6
801.40594	0.4
861.42712	0.6
876.27942	0.4
879.42993	0.6
929.49554	2.3
960.44141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25950	1.8
71.01376	14.3
72.99284	1.4
73.02941	2.1
80.96498	0.8
83.01385	1.8
85.02939	3.7
87.00858	3.7
89.02437	10.2
95.01376	1.6
95.24059	0.7
97.02939	2.4
101.02451	10.5
111.04601	0.8
113.02439	6.6
119.03510	3.6
125.02441	5.2
135.25934	0.7
143.03482	2.5
147.49908	0.8
150.51115	0.8
161.04504	3.5
165.68788	0.8
179.05620	4.2
183.13892	6.4
185.83771	0.8
193.12335	2.2
199.06108	0.7
205.73341	0.7
211.13382	100.0
212.13756	4.0
217.07091	1.4
221.06560	1.4
235.08163	4.0
253.09198	0.8
277.21695	48.2
278.22021	2.6
287.07639	1.8
305.08743	1.8
323.09943	1.4
379.12411	11.9
397.13467	38.8
398.13907	1.6
415.14560	7.9
591.26477	9.9
609.27441	8.8
657.35364	1.6
675.36420	2.3
720.10590	0.9
869.48956	2.0
929.52081	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	929.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.9
68.13875	0.9
68.99801	1.7
69.03456	1.9
69.19800	7.1
69.20218	1.8
71.01376	25.5
72.99305	11.4
73.02946	3.3
75.00867	35.0
77.59286	0.8
81.03462	1.9
83.01386	2.6
83.05018	1.0
83.30305	0.8
85.02940	10.3
87.00871	33.5
88.01199	1.1
88.98796	1.2
89.02444	2.8
95.01399	2.0
95.05042	2.2
97.02943	4.0
97.06586	3.9
99.00869	2.1
99.04518	1.2
101.02438	4.5
103.01001	0.9
109.02975	4.3
111.00883	1.8
112.98809	1.7
113.02447	5.2
115.00362	58.3
115.03998	1.0
116.00732	1.7
117.07071	1.1
119.03485	1.0
123.04545	4.4
123.08174	2.0
125.02442	2.5
125.09714	2.7
127.00367	2.5
127.04031	4.5
129.01924	1.8
130.73962	1.0
135.02998	4.8
136.15018	0.9
137.09673	1.3
139.03969	0.9
140.93954	1.1
142.02628	1.0
143.03500	1.6
151.04005	1.7
151.11273	1.0
163.11285	3.3
165.12830	2.0
167.03488	1.0
169.05031	3.8
169.12354	5.0
171.10246	23.3
172.10548	1.3
175.02461	100.0
176.02824	4.3
177.12746	1.4
181.12328	1.4
185.11829	2.5
191.10791	0.9
191.14418	3.8
193.12360	3.4
195.13898	4.1
197.11819	30.0
198.12114	1.1
207.10161	5.1
209.11815	10.1
211.13364	4.3
221.11790	3.9
223.13429	3.1
225.11264	2.9
235.08241	2.0
237.11353	1.5
239.12892	8.4
241.14478	3.9
245.11931	1.6
245.19055	5.4
251.12860	1.5
253.09213	5.4
255.06638	1.4
263.12878	1.4
263.20169	1.7
267.12399	3.3
285.13367	10.4
289.15103	1.6
289.18079	17.5
291.06589	1.2
307.19125	13.8
309.20740	1.8
342.41437	0.9
373.96512	0.9
395.76953	0.9
407.19128	1.1
503.21167	3.7
521.22437	4.3
525.26947	1.2
543.28479	1.1
699.45227	1.1
713.34216	2.7
767.39282	2.2
783.42389	1.1
789.40399	1.0
793.39978	2.2
807.38580	3.1
809.39575	9.3
811.41217	51.9
812.41412	7.4
833.40509	1.6
841.42621	2.3
851.40546	11.6
852.42267	2.8
869.41705	5.0
929.44879	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	921.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	0.5
69.03425	0.7
69.47033	3.0
71.01376	1.5
73.87952	0.5
77.03965	0.4
81.03500	0.6
83.01386	5.3
84.08291	0.4
85.02959	1.1
93.03482	0.7
95.01399	0.8
97.02949	1.5
99.00892	1.7
109.02930	2.9
110.00095	0.6
111.00890	2.2
113.02446	0.6
120.02163	0.5
121.02965	2.4
123.00865	0.4
123.04562	1.6
125.02443	100.0
126.02776	2.0
131.05016	0.6
133.02946	3.6
137.02449	7.6
138.03197	1.0
139.00406	1.4
139.04022	1.7
140.01198	1.2
141.01933	5.0
147.04506	0.7
149.02425	1.2
149.06050	0.7
151.03996	4.7
152.04723	1.0
153.01947	5.7
155.03487	0.5
159.04547	0.7
161.02437	27.4
162.03110	1.8
163.00398	2.1
163.03976	1.6
164.01164	5.2
165.01918	11.4
165.99089	1.7
166.02592	0.6
166.99937	1.1
167.03575	2.2
173.06026	0.8
175.03995	10.6
176.04749	0.6
177.01920	8.8
179.03540	0.8
181.01399	6.6
181.05060	1.7
182.02200	71.2
183.02969	59.2
184.03392	1.0
187.04031	1.1
189.05663	0.5
190.02768	0.7
191.03520	1.0
193.01414	0.8
193.05132	0.9
194.02228	1.4
195.02992	2.7
199.04025	1.8
201.01920	1.0
201.05536	0.8
203.03474	2.1
205.05038	0.9
207.02992	0.9
207.04871	0.7
208.03764	3.7
209.04457	1.9
213.05602	0.9
217.05023	5.0
219.02986	2.9
219.06538	1.0
221.00948	1.2
222.01846	0.6
223.02238	0.9
225.05672	0.5
227.03488	0.5
229.05080	0.6
231.03085	0.6
232.03781	2.1
233.04552	1.7
234.01642	2.0
235.02412	1.0
241.04889	0.6
243.02974	8.3
243.06534	1.8
244.03664	0.7
245.04547	4.1
255.03056	0.6
257.04459	1.1
261.03983	8.4
269.04489	1.6
273.03986	0.7
274.04828	1.6
275.05368	0.8
285.04053	1.0
287.05606	48.4
288.05994	2.7
300.02731	4.7
301.03601	1.2
303.07285	1.2
326.04218	0.8
327.04843	0.7
344.05585	0.9
345.08246	68.8
346.08511	2.9
367.85410	0.5
371.09796	2.6
379.08179	0.8
387.09317	0.7
395.09818	1.6
397.07803	1.1
405.06152	5.3
407.07843	0.8
413.08749	16.3
414.08942	0.9
423.07257	8.2
424.07083	0.6
437.11124	0.9
449.08731	5.1
452.07645	0.6
463.08957	2.1
481.09924	4.5
507.11438	7.1
575.11823	12.3
576.12280	1.5
607.11212	0.6
609.14587	0.8
617.11395	0.6
633.14850	3.8
751.13739	0.7
769.15997	2.2
921.20679	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	927.438
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32191	0.2
71.01369	0.7
71.52164	0.3
73.19564	0.2
75.00867	0.2
83.08727	0.2
87.00857	0.8
88.98816	0.3
96.95977	0.3
107.00750	0.2
115.00347	0.7
116.92805	0.4
163.62155	0.2
175.02470	2.3
187.03874	0.2
188.04778	5.5
189.05087	0.3
201.05501	0.3
203.07135	4.3
211.13370	1.1
215.03522	1.8
228.07895	0.4
229.05037	1.8
230.05827	3.3
236.29860	0.2
244.07379	1.4
245.08144	6.4
245.10678	0.3
246.08522	0.2
247.27675	0.2
254.05772	1.2
257.04526	2.3
269.08246	0.6
272.06882	19.5
273.07147	1.1
287.09232	100.0
288.09604	4.4
397.13400	0.2
458.26300	0.2
791.38513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.8
69.93732	2.8
71.01381	10.4
72.99300	1.1
73.02936	1.1
81.03461	0.8
83.01373	1.1
85.02945	2.3
87.00877	3.7
88.98800	1.9
89.02434	7.2
97.02946	1.2
101.02439	5.9
112.26003	0.6
113.02438	4.0
115.00343	1.6
118.22285	0.6
119.03484	1.1
125.02436	2.8
141.01704	0.8
143.03505	1.8
149.04498	0.6
151.89478	0.6
152.22179	0.6
161.04573	1.7
175.02426	3.4
179.05576	1.6
183.13878	8.9
190.33304	0.7
192.66660	0.7
193.12312	2.2
211.13377	100.0
212.13733	3.7
235.08253	2.2
287.07925	1.1
289.66818	0.8
377.72549	0.6
379.12366	4.9
397.13480	14.4
397.18536	1.2
398.13864	0.8
415.14441	3.2
522.18463	0.7
591.26569	15.2
592.26642	1.3
609.27551	14.6
610.28271	1.2
612.17426	0.7
785.39276	6.4
786.39630	1.2
803.40851	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	915.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28737	1.2
70.90295	0.3
71.01376	0.7
73.22839	0.3
75.00890	0.3
78.95901	31.3
96.96969	2.6
115.00388	0.4
129.01964	1.9
134.35262	0.3
135.03009	0.6
150.98116	0.4
152.99577	42.8
153.99887	0.4
160.18271	0.3
171.00632	8.6
175.02463	1.1
206.99808	0.3
211.43745	0.3
222.02724	0.3
227.03246	2.1
245.04300	45.8
246.04663	0.5
253.21700	19.9
254.22141	0.8
255.23248	0.4
286.08783	0.3
433.23654	2.5
434.62704	0.4
465.91254	0.3
481.25684	100.0
482.25986	7.0
915.45959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.3
68.99810	0.3
69.25954	2.2
75.26467	0.2
81.03475	0.4
83.01385	2.7
83.02420	0.2
83.28139	0.2
95.01430	0.2
107.01369	1.9
108.02158	0.6
109.02954	1.6
111.00886	0.3
119.05023	0.5
121.02961	0.6
123.04506	2.5
124.01664	0.9
125.02442	55.0
126.02753	1.0
135.04465	0.6
137.02446	1.2
139.04007	0.9
143.04884	0.3
145.02959	0.6
146.03738	0.3
147.04514	0.9
149.02429	3.0
150.03215	1.7
150.42000	0.2
151.00359	6.8
151.03989	3.2
152.01151	4.6
153.01927	7.8
154.02142	0.3
159.04469	0.4
161.02420	0.8
161.04597	0.2
161.06032	0.4
163.00362	0.5
163.04004	0.7
169.01364	0.2
169.06467	0.3
171.04491	0.7
173.06058	0.7
174.03174	1.4
175.03993	11.2
175.05508	0.6
176.01086	0.3
177.01924	13.0
178.02289	0.5
178.99844	7.3
179.94077	0.3
181.01439	1.8
185.06004	0.3
188.04742	1.2
189.05553	2.9
191.03484	0.5
193.05061	0.9
197.05975	0.6
198.03221	0.4
199.03999	5.5
201.01933	1.6
203.07155	0.3
213.05574	0.9
215.03526	0.3
215.07022	0.4
216.04300	0.8
217.05032	6.7
218.05305	0.4
219.03110	0.3
231.06621	1.5
241.05049	5.5
242.02319	0.3
242.05290	0.3
243.03081	1.1
243.71664	0.2
255.02966	0.5
257.04587	1.2
258.26553	0.3
259.06079	3.1
271.02472	0.6
275.05585	4.3
285.04025	49.0
286.04367	2.5
296.87283	0.3
300.02750	1.1
300.51151	0.2
301.03555	0.4
303.05072	100.0
304.05383	4.5
307.08246	0.3
337.46857	0.2
447.09277	5.2
467.15414	0.3
529.07538	0.2
564.59943	0.2
750.24677	0.3
779.55688	0.4
846.88733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99845	0.3
69.03456	0.3
69.25939	2.2
71.01385	3.2
72.99306	4.0
73.02956	0.3
74.99123	0.5
75.00870	19.8
79.95682	0.3
80.84973	0.2
83.01391	0.9
85.02946	6.1
86.03345	0.2
87.00877	2.9
89.02450	2.9
89.63636	0.2
97.02946	2.3
99.00873	0.5
101.02428	1.3
102.98614	0.4
110.53152	0.2
111.00891	1.2
112.98789	0.3
113.02467	0.6
115.00397	1.9
117.01942	1.0
120.38660	0.2
122.82692	0.2
123.38513	0.2
125.09720	0.4
129.01939	100.0
130.02275	1.5
135.02995	39.2
136.03322	0.4
142.99860	0.5
143.03482	0.6
152.99567	0.4
158.47392	0.2
171.10255	1.6
173.00906	0.6
175.02475	3.6
195.13908	0.3
197.11823	1.1
200.86528	0.2
209.11850	1.8
211.13330	0.5
221.11813	0.5
223.13252	0.3
239.12967	1.8
247.04625	2.1
253.09351	0.6
277.21707	6.4
278.22015	0.5
285.13492	0.5
305.72870	0.3
402.04483	0.3
481.25571	0.6
513.30170	0.3
521.22119	0.4
763.42242	0.8
779.42932	0.5
781.43677	1.6
782.44165	0.4
915.46320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61599	1.7
70.60387	4.0
71.01382	17.9
72.99308	4.3
73.02939	2.6
75.00880	17.7
80.47942	1.5
83.01383	2.6
85.02956	5.3
87.00874	36.9
88.98777	2.0
89.02442	3.0
97.02966	2.1
99.00876	2.3
101.02444	3.3
109.02932	2.5
111.08158	1.7
113.02451	2.9
115.00368	58.2
127.00334	2.4
127.04011	2.8
136.95702	1.5
139.00371	2.4
157.01350	2.5
169.05046	2.2
171.10257	11.0
175.02460	100.0
176.02763	2.4
193.12402	2.1
195.13898	4.5
197.11829	16.2
207.10211	1.9
209.11819	1.6
211.13365	4.6
221.11855	3.1
223.13470	2.6
239.12943	3.2
253.09154	3.5
277.21524	2.3
285.13373	4.4
291.19620	23.2
292.19882	2.6
309.20950	1.9
332.75131	1.7
361.85513	1.8
427.00409	1.9
503.21201	2.9
521.22253	1.9
527.28497	2.6
681.38647	2.2
779.42908	2.5
793.39935	3.5
795.41840	30.8
796.42340	3.4
817.41663	1.9
825.42340	1.9
835.40704	7.1
853.42480	4.2
862.01611	1.9
908.06738	1.8
913.44720	2.8
949.47357	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	915.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.4
71.51908	0.3
72.99543	0.2
78.03336	0.2
83.01382	0.5
85.45359	0.2
93.83098	0.2
96.96014	0.2
107.01383	1.1
108.02190	0.2
109.02945	0.6
121.02984	0.3
125.02417	0.6
135.00844	0.4
136.01642	0.2
137.02391	0.3
148.01656	0.2
151.00372	5.1
152.01012	0.4
163.00397	1.4
163.04022	0.2
164.01151	0.6
169.01385	0.4
174.03163	0.2
175.04008	0.2
178.99869	3.2
188.04709	0.3
188.55772	0.2
190.02713	0.5
190.99814	0.5
193.01489	0.2
199.04059	0.2
201.01971	0.3
211.03908	0.2
216.04178	0.4
226.02705	2.4
227.03476	1.2
243.02966	6.4
244.03508	0.2
254.02193	3.1
255.02977	4.7
259.02438	0.3
270.01788	0.2
271.02463	30.8
272.02979	1.9
273.03970	0.3
283.02615	0.3
287.01852	1.0
299.01929	0.5
300.02728	42.5
301.03461	12.3
302.03864	0.5
313.03687	0.2
315.98532	0.3
316.02213	4.6
316.99783	0.3
317.03052	3.1
343.04688	0.4
463.08798	100.0
464.09113	6.7
627.67737	0.2
709.19287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02996	0.5
71.01412	0.8
71.51653	0.6
74.02466	9.6
78.93819	0.5
82.02975	1.0
83.01391	0.9
85.02953	0.7
86.02468	4.1
87.05630	1.8
90.00144	1.0
90.23483	0.5
95.01434	0.7
97.02929	0.8
97.04054	1.1
98.42108	0.4
99.00882	0.6
99.05641	7.5
101.07194	1.4
102.05629	1.2
109.02932	0.6
109.04095	1.1
111.00876	2.1
111.05636	0.8
112.04043	0.9
116.01765	0.7
121.02936	0.9
123.05688	0.7
123.45403	0.5
125.03536	0.7
126.01965	0.5
126.92859	0.5
127.05165	1.5
128.03535	25.3
128.40573	0.5
131.04671	0.7
135.04686	0.5
135.05641	2.7
137.02431	2.1
137.07185	0.8
139.00354	1.3
139.04008	0.5
141.01924	1.8
141.06699	1.8
143.04616	33.8
144.04948	0.6
145.06180	2.0
146.04578	3.4
151.04054	1.0
153.01898	2.8
153.06677	2.4
160.00728	7.9
165.01897	3.5
165.99089	1.6
166.09857	1.3
166.99838	0.6
167.04672	2.3
167.08247	1.5
176.48541	0.6
177.03406	3.3
179.04607	6.6
181.01451	3.3
181.82469	0.4
182.02197	39.4
183.02975	34.0
184.03279	0.7
184.10872	0.6
185.05612	1.3
188.76126	0.5
192.07896	0.7
193.05051	0.5
195.02968	1.2
197.05672	1.2
198.08847	0.6
210.08855	8.3
213.03452	0.5
225.03983	0.8
242.07825	0.8
254.07802	6.8
272.08826	10.0
288.06567	4.0
306.07635	100.0
307.07996	3.5
318.64276	0.5
345.08228	0.6
404.14944	19.3
405.15530	1.0
414.42950	0.5
465.12408	0.9
507.13531	59.9
508.13968	4.9
704.45648	0.5
852.90637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	0.9
67.01888	0.4
67.78261	0.4
69.03448	0.9
69.30822	0.5
69.31162	2.8
81.03441	0.8
83.01359	1.5
83.30882	0.3
93.03456	0.7
95.01376	0.7
95.05029	0.6
97.02955	1.9
107.01372	2.9
108.02168	0.8
109.02950	5.8
111.00904	0.6
113.77948	0.3
121.02940	1.9
122.48534	0.3
123.00906	1.0
123.04525	2.7
124.01681	0.8
125.02441	41.3
126.02795	0.6
135.00905	0.4
135.04506	0.3
137.02449	5.0
139.00395	0.8
139.04012	0.9
140.01103	0.6
140.16554	0.3
145.02951	1.4
146.03757	0.5
148.01642	0.7
149.02429	1.7
151.00362	7.7
151.04004	2.6
159.04497	1.3
160.05254	0.5
160.72107	0.3
161.02454	1.7
161.06079	1.5
163.00368	2.1
163.03970	0.5
164.01134	1.2
165.01939	1.9
166.99925	0.9
167.03551	0.4
167.04890	0.4
168.00711	0.8
169.01410	63.4
170.01741	1.3
175.03984	0.8
175.07628	0.4
178.99867	4.3
179.03497	1.2
182.02205	1.8
183.02986	1.7
183.04521	0.8
185.06004	0.5
187.04010	1.4
188.04758	1.0
188.48170	0.3
193.01405	2.8
199.03960	0.6
201.05598	0.7
203.07117	2.6
205.05032	2.2
211.03983	0.7
221.08133	0.7
226.02725	0.5
227.03519	1.7
227.07083	0.7
229.04971	0.8
231.02956	0.4
239.03296	0.4
243.02943	4.8
244.03465	0.5
245.04396	0.8
245.08195	5.1
253.05008	0.7
254.02184	1.3
255.02972	13.3
256.03485	0.8
259.06155	0.6
271.02463	33.6
271.05969	3.3
272.03061	2.3
273.04010	0.6
283.02386	0.8
287.01956	0.8
287.05630	0.5
289.07156	26.9
290.07462	1.4
299.01993	1.0
300.02722	63.6
301.03448	29.9
301.08600	0.6
302.03812	1.2
303.05084	1.2
316.02176	4.4
317.02838	1.8
331.04578	1.5
345.08286	2.0
441.08221	41.3
442.08572	3.3
453.13702	0.4
463.08777	100.0
464.08972	6.3
492.09665	0.3
541.13458	0.4
559.12354	0.4
663.10791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.9
71.01380	24.5
71.05041	1.8
72.99322	2.7
73.02940	3.8
79.95742	2.4
80.96512	14.4
85.02949	6.4
87.00877	10.4
89.02431	13.9
94.98073	3.2
96.96011	18.6
97.02942	6.3
97.06642	2.0
98.20677	3.3
99.00880	10.5
101.02439	15.3
109.06593	3.2
113.02441	5.4
115.00368	5.3
119.03486	3.9
125.02451	5.4
125.09721	5.6
129.01901	2.8
143.03511	2.5
148.99191	1.5
161.04489	2.0
163.11270	9.7
164.98581	2.7
168.77904	1.5
171.10260	23.6
175.02492	10.7
181.12341	10.9
184.75201	1.7
197.11745	4.2
199.09663	2.5
199.13380	7.2
201.11319	3.5
207.10222	27.5
221.06741	2.5
225.00667	2.3
225.11313	36.7
226.11525	1.8
235.08192	4.8
243.12421	13.7
265.14764	28.4
277.21704	56.2
278.22083	4.5
285.13754	1.9
304.19449	1.7
379.12433	5.0
397.13474	19.0
399.43954	1.7
415.14474	5.3
605.24500	3.7
623.25793	4.0
783.44720	2.1
810.27441	1.9
857.45313	3.1
883.47150	13.1
884.46698	2.1
901.47540	100.0
902.48181	18.9
923.46985	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	898.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28371	18.9
69.28800	19.8
71.01370	13.8
72.01785	5.4
80.96531	6.7
87.00883	42.3
108.47237	5.5
115.00378	51.4
116.00703	7.1
116.92827	5.3
175.02464	100.0
176.02829	14.3
209.11824	7.1
226.20528	5.2
254.93176	5.0
277.21756	17.9
278.22104	8.7
334.37463	4.9
344.56155	5.4
382.41342	5.4
451.96619	5.1
599.98328	6.2
654.45331	5.2
781.43109	9.5
891.12335	5.6
899.44299	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.6
69.03457	0.7
69.30724	0.9
69.31126	3.5
69.40911	0.5
71.01378	20.5
72.99306	7.2
73.02945	2.2
75.00869	30.2
81.03456	1.5
83.01364	1.7
83.05018	1.0
85.02952	7.2
87.00869	31.1
89.02428	3.6
95.01360	0.8
95.05011	1.2
97.02969	4.2
99.00889	1.2
99.04508	0.9
101.02434	5.6
108.02206	0.7
109.02953	4.2
111.04529	1.3
112.98806	0.8
113.02448	5.1
115.00369	56.5
115.03957	1.2
116.00688	0.9
119.03539	0.6
122.17057	0.6
123.04549	3.0
123.08172	0.6
125.02449	2.2
127.00368	1.5
127.04000	5.2
135.02954	3.6
139.00412	0.6
139.04050	1.0
143.03508	1.0
144.22734	0.6
145.05038	0.7
151.04015	1.1
157.01440	1.8
168.60249	0.5
169.05043	3.5
169.12357	3.4
171.03003	0.8
171.10254	20.3
172.10513	0.8
175.02469	100.0
176.02785	3.4
177.02951	0.7
178.23938	0.5
193.12312	2.0
195.13844	2.7
197.11818	23.5
198.12251	0.6
205.12265	0.7
207.10365	0.9
209.11803	0.6
211.13409	1.4
214.89821	0.6
215.20647	0.6
221.11842	1.8
223.13400	2.7
225.11307	1.3
231.05112	1.0
235.08199	1.8
235.13292	1.1
239.12935	5.5
241.14313	3.2
245.11873	2.6
251.12720	0.9
253.09283	3.5
253.14531	1.1
259.20389	0.6
263.12885	1.2
267.12311	3.8
267.85004	0.6
277.21701	53.8
278.21973	3.3
285.13406	8.7
297.13428	0.7
407.19189	1.1
438.11447	0.6
503.21524	5.7
513.30908	1.2
515.22095	0.6
521.22424	2.7
536.56415	0.6
541.47717	0.6
707.10297	0.7
717.42212	1.0
735.44196	0.6
737.41113	2.6
747.44238	0.8
759.43427	1.6
765.44733	0.7
777.41724	2.8
779.42169	6.4
780.42462	1.2
781.43768	57.8
782.44043	9.3
793.43964	1.7
795.45599	0.7
803.42535	2.3
811.45160	2.5
821.43024	11.0
822.43286	0.9
839.44312	4.4
881.46661	0.7
899.46460	6.2
900.47211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93716	47.5
67.76513	42.4
70.93624	100.0
95.81598	41.0
147.40450	36.9
201.01224	43.9
234.19067	51.5
244.85406	40.4
308.37643	45.1
404.74841	39.3
498.43988	45.0
518.17059	50.2
647.29260	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.2
71.01381	22.2
71.05007	1.3
72.99284	2.2
73.02936	3.8
75.00858	1.9
79.95735	1.9
80.96524	6.0
83.01386	1.8
85.02962	5.6
87.00871	4.7
89.02444	10.6
94.98094	1.1
95.01373	1.6
97.02943	4.2
97.06587	2.5
98.19926	4.5
99.00882	9.0
101.02441	12.9
101.92513	1.0
109.06548	1.6
113.02404	5.3
115.00323	1.2
116.92799	1.6
117.36830	1.0
119.03501	2.9
119.29792	1.2
123.08164	1.1
125.02486	5.0
125.09699	4.7
127.11305	1.3
141.01886	1.2
142.02669	1.4
143.03442	2.2
148.39893	1.0
161.04492	2.8
163.11264	6.3
171.10254	16.1
175.02461	1.1
175.99980	1.0
179.05548	2.5
181.12328	13.1
189.09283	1.3
199.09764	1.6
199.13370	12.1
207.10239	35.2
207.12187	2.1
208.10527	1.5
211.13553	1.4
211.81458	1.1
221.06439	2.2
225.00719	2.2
225.11302	52.2
225.73935	1.1
226.11620	1.5
235.08160	2.3
243.12393	12.5
277.21698	39.4
278.22006	2.3
287.07602	1.2
323.09637	1.3
374.63043	1.2
379.12305	3.4
386.90350	1.1
397.13489	19.0
415.14496	3.0
473.69540	1.3
605.24414	3.6
623.25598	3.8
675.36456	1.7
883.46790	11.5
884.47089	2.2
901.47839	100.0
902.47906	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	897.188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03975	0.8
67.01891	0.9
69.03436	0.6
70.52704	1.0
70.53055	1.0
72.66879	0.5
81.03461	1.0
83.01370	3.5
83.05019	0.6
93.03475	3.6
95.01379	1.0
95.04997	0.9
97.00599	0.6
97.02969	1.3
104.60783	0.6
107.05056	2.1
108.02167	0.8
109.02950	13.0
119.05042	0.9
121.02943	5.5
122.03814	0.8
123.00912	1.1
123.04517	7.9
124.01675	0.9
125.02441	82.0
126.02805	2.2
131.05022	2.1
133.02950	3.8
135.04556	1.4
137.02443	17.0
138.03258	1.4
139.04045	3.6
145.02957	1.5
147.00935	0.7
147.04475	1.1
149.02431	11.0
149.06088	0.6
150.03166	0.7
151.03996	14.3
152.04420	0.7
159.04512	2.0
161.02460	2.6
161.06065	2.3
162.03207	0.9
163.00380	2.2
163.03978	5.6
164.01138	5.3
165.01927	6.4
166.02728	0.7
167.03445	3.2
173.06117	0.9
174.03181	0.8
175.00327	1.5
175.03995	19.2
176.01125	2.6
176.04410	0.7
177.01921	100.0
178.02260	3.3
179.03476	2.4
185.06033	1.0
187.04001	6.2
188.04752	1.4
189.01930	2.7
189.05566	1.4
190.02637	1.0
191.03525	3.3
192.03987	0.7
193.05037	2.6
199.04024	7.5
201.01892	1.5
201.05577	1.4
203.03487	1.9
203.07106	3.8
205.01366	1.2
205.05098	3.6
211.03987	1.4
213.05527	1.4
215.03514	2.2
217.01489	1.7
217.05035	11.1
219.02992	8.9
221.08252	0.9
225.05562	0.8
227.03435	2.2
227.07135	1.1
228.04150	0.9
229.05063	2.8
230.05705	0.7
231.02995	2.5
231.06624	0.8
233.04422	0.8
237.05396	0.7
241.05132	1.0
243.02972	38.7
244.03346	1.6
245.08154	6.8
247.06055	0.9
253.05081	0.7
255.02979	10.5
256.03680	2.7
257.01196	0.6
257.04526	2.7
259.06027	1.2
261.04007	19.5
262.04504	0.9
267.02951	0.9
269.04568	2.3
271.06250	0.7
273.04044	2.3
281.04602	3.0
282.01648	0.9
283.02512	3.2
285.04138	4.7
289.03952	1.3
289.07175	25.2
290.07568	1.8
293.04669	1.5
295.02548	1.5
301.06653	0.7
303.05087	24.1
304.05322	1.5
305.06989	1.5
311.05594	0.8
315.05124	2.4
315.08630	1.3
327.04883	0.9
336.58948	0.7
339.08685	2.4
341.06656	2.1
347.05658	1.1
353.06635	1.2
373.03400	1.3
379.05188	0.8
381.09589	0.7
383.07449	1.0
391.04630	3.1
397.05579	0.9
407.07709	20.7
408.08078	2.5
411.07141	1.6
421.05634	4.3
423.07257	0.8
425.08710	14.1
426.09088	0.9
429.08255	6.8
439.06607	4.3
441.08432	1.1
451.06958	0.8
467.09906	8.0
481.07870	4.3
517.10693	0.7
525.08093	5.7
526.08551	0.8
543.09290	14.5
544.09717	1.0
559.08777	3.3
561.10291	4.6
577.09961	1.9
585.10187	1.4
593.12842	11.2
594.13153	1.3
603.11176	3.4
603.35309	0.7
607.11023	4.1
632.11603	0.9
711.13525	19.3
711.25879	1.2
712.14301	2.4
729.14606	6.2
730.15759	0.8
771.15625	1.8
833.71710	0.7
897.18707	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	895.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.9
69.18335	4.6
71.01004	0.9
71.01380	11.6
72.99313	0.7
73.02951	1.6
79.79958	0.6
80.96478	0.5
83.01374	1.5
85.02945	1.7
87.00871	2.7
88.57433	0.4
88.98825	1.1
89.02443	8.0
89.02949	0.8
97.02950	1.6
98.19933	0.8
99.00872	1.0
101.02436	6.8
108.99015	0.4
109.06606	0.5
110.71911	0.5
113.02449	3.7
119.03507	1.8
125.02469	2.9
139.03954	0.5
143.03491	1.0
156.28127	0.5
161.04512	2.5
167.14366	1.0
177.14311	0.4
179.05609	2.1
183.13889	7.3
192.11386	0.5
193.12248	1.8
207.10219	1.7
209.11818	0.6
211.13379	100.0
212.13744	3.2
217.07047	0.5
220.14641	1.3
221.06625	0.8
221.15436	4.7
225.11249	1.0
227.31165	0.5
235.08139	2.5
236.10515	4.9
287.07645	1.1
293.17618	3.8
305.08643	0.9
323.09860	0.7
326.34869	0.5
379.12466	5.3
379.16971	0.7
397.13458	18.8
415.14621	3.3
545.23834	0.5
591.26520	14.1
592.26880	2.1
609.27509	13.5
610.27911	1.2
623.25354	0.5
629.52594	0.5
785.39746	3.0
786.40350	0.7
803.40674	4.4
804.41327	1.0
817.39777	0.8
921.29449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	100.0
72.99315	1.9
73.02937	4.3
81.03455	2.3
83.01423	3.0
83.05022	3.5
85.02951	5.8
87.00872	6.1
88.98808	4.4
89.02431	18.7
95.05004	2.3
97.02946	7.3
97.74139	1.2
97.93047	1.2
99.00861	2.4
101.02436	15.2
101.22140	1.4
104.08736	1.3
109.06593	16.1
112.38721	1.3
113.02447	7.5
119.03466	4.0
125.02425	6.5
127.11229	1.8
135.08141	3.3
142.02795	1.4
143.03500	2.2
161.04607	4.0
163.11310	9.5
171.10254	10.2
179.05586	5.1
181.12321	4.2
183.13893	8.9
199.13345	1.8
201.11328	6.1
207.10248	38.4
208.10558	2.5
209.11797	12.8
211.13371	79.8
212.13783	3.5
219.86218	1.4
221.06602	2.7
225.11290	31.6
226.11697	1.7
227.12897	8.5
235.08150	4.7
243.12347	3.2
253.09317	1.5
289.33731	1.4
305.08856	1.6
341.23322	1.6
373.24078	1.4
379.12268	2.9
383.22238	1.7
391.25070	2.6
397.13452	32.1
398.13870	2.0
401.23108	6.4
415.14456	9.9
419.24216	3.8
424.27527	1.5
439.56226	1.5
591.26257	2.1
605.24493	3.8
609.27930	3.5
623.25061	5.0
655.60748	1.7
771.37390	1.7
799.37610	12.0
800.38104	2.6
817.38513	25.3
818.39191	9.8
835.39832	3.6
895.47424	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	895.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03488	1.6
71.01382	76.0
71.52306	2.2
72.99306	3.0
73.02966	3.9
81.03450	2.7
83.01418	1.8
83.04997	3.0
85.02953	6.9
87.00849	4.5
88.98808	6.3
89.02438	18.1
89.83971	1.5
95.01355	1.8
95.04996	1.9
97.02946	7.1
99.00888	1.7
101.02444	14.0
106.04166	1.4
109.06598	16.1
113.02471	8.8
119.03463	4.2
125.02429	6.8
125.09750	1.5
143.03516	2.4
148.07426	1.8
161.04518	4.1
161.09807	1.4
163.11270	9.5
171.10277	10.9
179.05592	4.2
181.12233	3.0
183.13896	7.9
199.13345	2.4
201.11275	5.9
207.10251	34.1
209.11844	7.1
211.13377	100.0
212.13730	3.6
221.06638	1.8
225.11299	25.1
227.12846	6.9
235.08176	3.9
243.12370	1.8
287.07413	1.7
342.12744	1.6
379.12289	4.1
391.24750	3.0
397.13458	31.1
401.23260	5.2
415.14429	4.8
419.24335	2.9
505.57272	1.7
591.26477	7.4
605.24792	4.1
609.27917	11.7
623.25775	7.4
771.37610	1.6
799.37286	8.7
803.40808	2.2
817.38239	20.4
818.39410	5.5
835.39832	3.2
895.44000	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	889.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.1
69.03465	1.1
69.31532	2.9
69.31957	1.8
71.01380	18.4
72.99316	1.5
73.02957	3.3
78.95904	4.5
81.03474	1.2
83.01378	6.3
85.02946	5.1
87.00863	5.2
89.02436	13.9
89.02941	0.9
95.01387	2.1
96.97007	0.8
97.02940	3.2
98.20613	0.9
99.00864	1.2
101.02438	14.6
109.02937	0.8
111.00869	0.8
111.04503	0.8
113.02449	8.1
116.92815	0.9
119.03481	3.9
125.02442	8.9
125.09709	1.6
127.11304	2.2
131.03464	1.2
137.02429	3.6
139.04057	1.1
143.03481	2.6
149.78340	0.6
152.99596	6.7
153.01913	2.4
155.03481	0.9
161.04547	4.2
167.03377	0.7
171.00604	1.6
171.10262	100.0
172.10553	2.9
179.05580	3.6
181.01413	1.1
182.02174	5.9
209.11826	1.1
211.13412	1.0
212.25589	0.6
217.07076	1.1
221.06586	1.3
221.11902	0.9
232.03809	1.1
235.08180	5.8
237.14929	1.7
245.04308	7.4
253.09157	1.0
253.21794	3.4
259.08203	0.9
275.20190	0.8
277.21701	78.3
278.22046	4.5
287.07678	2.6
291.23166	0.9
305.08752	3.0
323.09802	0.9
329.13266	0.6
341.10815	0.7
379.12454	20.6
397.13474	48.9
398.13641	2.3
415.14471	9.4
481.25665	13.7
481.32135	1.1
482.26315	1.1
551.23718	3.6
569.24249	2.8
579.89990	0.6
657.35297	3.1
671.14410	0.8
675.35980	4.6
802.64966	0.7
889.45862	35.1
890.46356	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	895.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88266	0.2
63.02404	0.5
65.00322	0.6
65.06956	0.2
67.01883	0.3
69.23904	1.4
69.24309	0.3
71.01378	2.7
72.99285	0.4
73.02941	0.2
73.03678	0.2
73.17574	0.2
76.17105	0.2
83.01381	0.9
85.02940	3.7
87.00868	0.6
89.02451	0.2
91.01922	0.3
93.03448	1.2
95.01390	1.1
98.20584	0.4
99.00875	1.7
100.27643	0.2
100.61958	0.2
103.00366	0.7
107.01381	2.2
108.02172	0.8
109.02988	1.0
113.02443	5.9
115.00330	0.3
117.01911	0.4
117.03426	0.2
119.01381	0.2
121.02951	0.8
123.00909	0.3
124.01598	0.2
131.05046	0.2
135.00871	0.8
143.05032	0.8
145.02959	0.2
148.01662	0.9
151.00352	5.0
153.01974	0.2
154.04364	0.2
157.06621	0.6
159.04517	0.7
161.02437	0.3
163.00398	2.4
164.01118	0.7
165.01840	0.3
167.05005	0.5
169.01440	0.2
169.06622	0.5
171.04478	0.3
175.02461	2.9
175.03957	0.3
178.99854	2.2
183.04512	0.4
185.06079	1.4
187.03957	1.6
188.49724	0.2
189.05519	0.7
192.00652	0.3
193.01332	0.3
197.06064	0.7
199.04004	0.8
203.03465	0.2
211.03992	1.7
212.04735	0.3
213.05533	1.0
215.03467	0.8
216.04201	0.2
226.02675	0.6
227.03517	2.6
228.03996	0.4
229.05009	6.8
230.05290	0.4
239.03539	0.9
240.04323	0.3
241.04982	0.9
243.00452	0.3
243.02974	6.0
244.03590	0.5
245.04530	0.6
254.02158	1.3
255.02957	15.1
256.03625	1.2
257.04562	3.3
258.04922	0.3
267.02957	0.3
271.02454	33.2
272.02951	2.8
273.03879	0.4
274.18439	0.2
283.02368	0.4
284.03070	0.4
285.04016	53.5
286.04395	3.0
299.01944	0.9
300.02716	78.2
301.03406	19.5
302.03903	1.1
313.07080	0.3
351.00797	0.2
433.07700	100.0
434.07974	8.2
445.31317	0.2
447.09320	0.2
461.07205	27.8
462.07553	2.3
754.37653	0.2
792.69281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.9
71.01380	16.4
72.99312	2.1
73.02943	1.3
75.00865	1.2
83.01389	4.5
84.02164	0.9
85.02965	2.5
85.09411	0.5
87.00873	31.9
89.02419	1.0
89.26718	0.5
89.73914	0.5
97.02934	0.6
99.00875	2.4
101.02443	1.7
111.00893	5.3
112.29230	0.5
112.98880	0.5
113.02428	1.5
115.00372	55.5
116.00697	0.6
127.00349	1.6
129.01929	0.5
139.00368	6.8
152.99681	0.6
157.01414	7.5
163.11285	0.6
171.15825	0.4
175.02466	100.0
176.02803	1.9
197.15445	0.6
207.10260	1.8
209.11819	0.5
211.13391	0.7
223.13377	0.7
225.11458	1.0
225.14938	1.4
229.68123	0.7
235.08356	0.5
235.17041	1.1
237.15039	0.7
239.16475	1.0
241.14429	3.2
247.13469	1.1
251.12810	0.6
253.09254	0.8
253.14459	1.0
253.17978	0.5
255.15881	0.5
261.14911	1.3
263.16711	0.5
265.14505	0.5
269.14020	0.5
277.21713	9.6
281.17529	1.1
287.14957	0.7
307.15387	0.7
357.14114	0.5
397.13669	0.8
415.14142	0.5
464.95419	0.6
494.31519	0.6
495.38284	0.4
505.22849	0.5
737.45184	0.6
743.42957	0.6
753.45117	0.7
765.44385	5.1
766.44397	0.8
779.45343	2.8
783.45569	1.5
803.45862	1.3
821.47333	3.2
821.61194	0.5
823.45300	1.5
883.46216	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	889.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.7
69.03458	1.1
71.01380	16.7
71.51392	0.6
72.99298	1.4
73.02952	2.9
75.00873	0.7
77.91077	0.4
78.95913	3.1
81.03455	1.3
83.01366	4.2
85.02959	5.6
86.24846	0.5
87.00861	5.4
89.02438	12.4
95.01394	1.9
97.02942	3.3
99.00871	0.8
99.04532	0.5
101.02441	12.5
109.02982	0.7
111.00856	0.9
113.02448	6.8
115.04031	0.9
116.92861	1.8
119.03488	2.6
125.02448	6.6
125.09705	1.2
127.11298	2.0
131.03485	0.6
133.05054	0.9
137.02457	1.8
143.03493	2.3
149.04517	0.5
152.99597	3.0
153.01901	0.7
153.09200	0.7
161.04575	3.4
171.00671	0.8
171.10258	100.0
172.10643	2.6
179.05656	3.6
182.02174	2.9
209.12166	0.6
211.13246	0.6
217.07201	1.8
221.06639	1.4
235.08189	6.6
237.14931	0.9
245.04277	3.5
253.09215	1.5
253.21704	1.7
259.08099	0.6
259.20605	0.6
277.21707	59.3
278.21979	4.0
287.07648	2.0
305.08743	2.5
318.87546	0.6
323.09940	1.4
379.12439	17.3
380.12637	1.0
397.13492	37.9
398.13742	2.5
415.14557	6.9
481.25690	7.5
551.23456	5.9
569.24585	5.5
605.92224	0.7
657.34772	1.7
675.35724	2.9
889.45795	23.8
890.46252	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	881.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	10.4
68.99795	0.8
69.03450	1.5
71.01378	15.3
72.99307	11.1
73.02944	1.9
75.00867	32.4
78.95930	0.8
80.02673	1.0
81.03460	2.9
83.01395	2.6
83.05019	7.2
84.02151	1.5
85.02949	9.0
87.00867	20.3
87.22208	0.7
88.98806	1.4
89.02457	3.9
95.05013	1.6
97.02955	3.3
98.19934	1.7
99.00858	2.7
99.04541	0.8
101.02452	6.1
108.02187	0.8
109.02919	4.3
111.00863	1.5
111.04521	1.1
113.02456	4.6
115.00362	34.1
115.03968	1.5
116.00718	1.4
119.03457	1.0
123.04523	2.6
125.02437	1.9
125.09652	1.1
127.03989	3.0
129.01933	3.4
130.85905	0.6
132.59962	0.7
132.89084	0.6
135.02974	6.2
135.08130	1.5
141.83913	0.7
143.03453	0.8
151.04010	1.4
161.04543	2.5
163.11270	4.2
165.12805	2.7
169.05022	3.1
169.12328	6.0
171.10246	25.9
173.00888	1.1
175.02458	58.7
176.02818	2.4
177.05858	0.6
177.79112	0.7
179.10744	1.0
181.12408	0.9
185.12039	0.8
191.10672	1.6
193.12311	1.9
195.13824	3.6
197.11816	40.6
198.12096	1.1
202.46133	0.7
207.10257	1.5
209.11810	100.0
210.12160	4.7
211.13319	3.2
219.10339	0.8
221.11783	3.0
223.13344	2.6
225.11292	2.8
227.12856	10.6
229.21010	0.7
231.05049	0.8
235.08199	1.3
235.13440	1.9
237.11278	1.2
239.12840	7.0
241.10762	1.1
241.14377	3.6
245.08127	1.2
245.11775	1.2
253.09212	7.1
253.14534	1.3
263.13028	0.9
267.12189	4.8
283.11951	0.7
285.13348	10.9
286.13446	0.9
306.07675	1.1
345.08191	0.9
407.19427	1.1
423.36014	0.9
445.20740	2.9
503.21344	3.4
521.22363	5.0
533.22192	0.9
649.31873	1.0
667.33380	1.0
673.34625	1.7
677.31152	0.8
685.34662	1.4
687.32141	1.1
688.32336	1.0
695.32501	2.4
697.34363	1.2
709.34460	0.9
713.21497	1.3
713.33820	18.4
714.34821	2.7
729.33105	2.5
731.34888	63.4
732.35400	9.4
743.34686	1.0
759.34741	2.3
761.36029	11.7
762.35938	1.7
763.35980	1.0
771.34613	2.5
785.36761	1.1
789.36127	4.2
803.37006	13.4
804.37347	2.9
821.38300	2.8
849.37518	3.9
863.39337	1.5
881.39197	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	881.308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.2
72.99313	0.5
75.00863	0.9
83.01391	0.8
83.05013	0.2
84.88765	0.2
85.02956	0.5
87.00874	1.2
89.02451	0.6
93.03480	0.3
93.30186	0.3
93.62836	0.3
95.01382	0.3
97.02931	0.5
101.02441	0.4
107.90598	0.2
109.02924	0.6
111.00885	0.8
112.86346	0.2
113.02448	1.0
115.00375	1.6
119.05016	0.5
121.02947	0.6
125.02466	0.4
129.01952	1.9
131.76981	0.2
135.00854	0.9
135.03004	0.8
136.64084	0.2
137.02437	1.8
139.00357	0.4
139.03990	0.7
140.01109	0.3
141.01950	1.6
149.32854	0.2
151.03983	0.4
153.01936	2.4
155.03574	0.3
163.03934	0.3
165.01918	2.9
165.12846	1.8
165.99092	0.5
166.99841	0.5
167.03514	0.3
171.10190	0.3
175.02475	3.0
176.02751	0.4
177.01842	0.3
181.01427	3.3
182.02205	45.7
183.02971	50.9
183.13885	6.7
184.03265	2.1
184.14268	0.4
194.02203	0.3
195.03000	1.7
206.95055	0.2
207.02963	0.5
207.04866	0.4
209.11769	0.5
225.03966	0.5
225.11140	0.2
227.12881	11.3
227.15172	0.5
228.13162	0.5
234.36093	0.3
243.05925	0.3
251.12625	0.3
327.07147	2.3
339.07281	0.9
345.08237	100.0
346.08557	6.5
347.08975	0.5
389.18204	4.6
491.11996	2.7
506.46039	0.3
702.43237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	1.0
65.62266	0.5
69.03449	0.8
69.66982	3.5
81.03474	1.3
83.01401	4.1
83.04986	0.7
93.03450	2.9
95.01440	0.7
95.05056	1.2
97.02958	1.5
98.19996	1.3
105.03461	0.8
107.05029	2.8
108.02222	0.7
109.02953	14.0
117.03521	0.9
121.02956	5.3
122.03711	1.4
123.04513	6.5
125.02444	100.0
126.02821	1.8
131.05003	1.7
133.02951	5.5
135.04526	1.3
137.02441	16.5
138.03162	0.8
139.03999	2.7
143.05020	1.2
146.03699	0.8
147.04500	1.5
149.02441	7.3
149.06015	0.9
151.03999	14.4
151.05122	1.2
152.04219	0.7
153.01903	1.6
159.04520	2.9
161.02431	22.2
161.06090	2.7
162.03049	1.4
163.00334	3.2
163.03993	4.0
164.01161	5.0
165.01932	5.6
167.03519	2.1
173.02394	0.9
173.06093	1.1
174.03200	1.5
175.04001	17.9
176.01143	2.0
177.01923	59.2
178.02284	1.9
179.03510	2.9
183.04663	0.7
185.06126	0.7
187.03995	4.1
188.04660	0.9
189.01907	3.2
189.05661	1.1
190.02644	0.8
191.03496	2.8
193.05099	1.2
197.00916	1.1
197.05959	0.9
199.03961	5.6
200.04427	0.7
201.01825	2.0
201.05635	1.2
203.03481	2.7
203.07167	3.9
204.00563	0.9
205.01466	1.3
205.05014	3.7
211.04050	1.1
212.04683	0.9
213.05618	1.6
214.02699	1.6
215.03557	1.6
217.01480	1.1
217.05037	9.3
219.02991	5.1
219.06470	1.0
221.08139	1.0
225.05609	1.0
227.03531	1.6
227.07072	0.9
229.05008	2.6
231.02994	1.5
233.04570	0.9
239.03436	0.7
241.05031	1.0
243.02972	33.6
244.03354	2.3
245.04593	7.6
245.08157	4.7
255.02994	7.7
256.03790	3.2
257.04517	2.5
259.06030	1.2
261.04001	13.9
269.04626	3.1
273.04071	2.8
281.04654	2.4
282.01755	1.7
283.02454	3.8
285.04089	3.0
287.05588	13.4
289.07181	17.0
290.07465	1.4
295.02487	0.9
297.04050	1.2
299.05527	3.7
300.05963	0.9
303.05038	16.0
304.05334	1.1
305.06924	1.6
327.05045	0.9
329.06808	0.8
337.07074	0.8
339.08853	1.7
341.06628	1.4
343.05371	0.7
345.06393	0.8
363.05081	1.5
373.03430	0.9
383.07635	0.8
387.05066	1.6
391.04562	1.3
405.06125	8.1
407.07684	13.9
407.12659	1.0
408.08652	1.0
423.07230	9.8
425.08762	9.6
426.08966	0.8
429.08224	4.8
449.08649	0.8
451.10526	8.0
453.08417	1.1
465.08026	6.2
467.09836	1.2
517.11603	1.2
525.08252	2.8
543.09418	9.9
544.09802	1.6
549.10321	1.5
559.12390	1.2
561.10516	2.5
577.13641	10.2
578.14178	0.8
585.10345	1.3
587.29517	0.8
591.11890	5.4
592.11542	0.7
593.13184	0.8
603.11829	2.1
677.13531	0.8
695.13947	16.7
696.14935	2.2
704.55103	0.8
711.13672	1.2
713.15485	1.5
729.14874	2.1
748.22577	0.7
755.16504	1.8
881.18854	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	881.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40148	4.0
79.17363	0.5
81.03455	1.6
83.01384	3.6
83.05002	0.6
89.03968	0.6
93.03470	2.7
95.01387	0.9
95.05044	1.3
97.02964	2.2
98.20378	2.4
105.03443	1.3
107.05018	2.3
108.02171	1.0
109.02947	15.2
113.01109	0.6
119.05001	0.6
121.02943	5.9
123.00929	1.1
123.04522	9.9
125.02443	100.0
126.02756	2.6
131.05029	1.7
133.02966	5.4
135.04546	3.1
137.02444	17.3
138.03308	0.6
139.04004	2.3
145.02962	1.3
146.03761	0.8
147.00900	0.6
147.04498	1.2
149.02448	8.3
149.06059	1.3
150.03256	1.1
151.04004	14.0
159.04504	2.3
161.02446	15.4
161.06071	2.3
162.03156	1.9
163.00377	3.7
163.03993	6.2
164.01164	5.6
165.01904	5.8
166.02563	1.0
167.03506	2.3
173.02489	0.6
173.06067	0.8
174.03102	0.7
175.00443	0.6
175.04004	15.0
176.01126	1.7
176.04361	0.9
177.01918	69.5
178.02264	2.8
179.03484	2.8
185.06102	1.1
187.04039	5.8
188.04764	1.9
189.01917	4.0
189.05536	1.3
190.02664	0.9
191.03438	4.2
193.05032	1.3
197.05949	0.6
199.03961	3.6
201.01923	1.6
201.05566	1.9
203.03476	2.8
203.07103	5.0
205.01390	1.3
205.05035	4.6
211.04044	1.0
212.04523	0.7
213.05627	1.3
214.02782	0.7
215.03389	2.3
217.01404	1.5
217.05008	8.2
219.02962	6.7
220.03592	0.7
221.08073	1.1
225.05566	0.9
227.03555	2.5
227.07037	1.4
228.04233	1.5
229.05089	2.7
231.02969	2.0
231.06596	0.8
239.03444	0.6
241.04996	1.0
243.02971	19.5
243.06665	1.3
244.03342	1.1
245.04552	5.1
245.08127	5.5
246.08574	0.6
247.06113	1.0
253.05077	0.7
255.02965	10.1
256.03720	2.7
257.04468	2.1
259.06113	1.3
261.03976	11.7
262.04474	0.6
267.03036	0.6
269.04517	2.7
271.02753	0.5
271.06186	1.3
272.03265	0.7
273.03931	3.9
281.04630	3.0
283.02594	2.6
283.05701	0.5
285.04068	3.9
285.06995	0.8
287.05627	11.3
288.06039	0.8
289.07169	30.0
290.07501	2.0
293.04453	0.6
295.02383	0.7
297.04074	1.5
298.04526	0.7
303.05069	13.4
304.05893	0.6
305.06747	0.6
311.05576	0.7
315.05099	2.7
315.08716	2.1
327.05032	1.5
339.08755	2.3
341.06659	2.2
381.09766	2.0
383.07629	1.3
391.04572	1.4
395.07712	1.5
407.07672	30.6
408.08298	2.6
413.08801	9.2
414.08829	1.0
417.06192	0.7
421.05603	1.9
423.07083	1.2
425.08716	17.8
426.09158	1.5
435.07495	1.5
439.06558	2.5
441.08301	1.5
447.07474	0.7
449.08957	1.0
465.08115	3.8
467.09760	8.6
468.09903	0.8
517.11053	0.7
525.08118	2.9
543.09241	7.4
549.10565	0.8
561.10529	4.1
569.11230	1.6
587.11859	4.8
591.11462	4.8
593.12897	16.7
594.13251	2.1
603.11792	1.1
617.12488	0.8
677.12756	0.7
695.14441	2.1
711.13629	5.4
712.13849	0.8
713.15137	5.6
714.15240	0.8
729.14917	1.5
755.15936	2.7
881.19611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.4
63.96231	2.0
69.03435	1.3
71.01380	10.1
73.02932	2.8
78.98591	8.7
79.95733	22.6
79.96203	1.1
80.96512	95.6
81.03446	1.6
85.02940	3.0
87.00867	4.1
94.98083	21.9
96.95999	2.2
97.02923	1.1
101.02429	3.2
106.98081	4.4
122.97591	5.2
125.02412	4.6
134.97591	7.2
136.99121	1.0
148.99126	6.9
152.98624	7.5
164.98615	15.1
188.95808	0.7
206.99718	3.8
225.00708	25.3
226.01305	0.9
250.67081	0.7
255.23238	2.8
257.09738	0.9
277.14471	0.7
537.27435	2.4
623.27618	1.6
709.38123	1.0
765.40601	1.3
790.84180	0.8
879.50995	100.0
880.51117	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	881.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.6
71.29727	0.4
83.01374	0.3
107.01399	1.2
108.02177	0.7
109.02947	0.4
118.34633	0.2
121.02940	0.7
126.63371	0.3
135.00919	0.3
148.01666	0.5
149.02350	0.3
151.00356	4.0
163.00363	1.1
164.01205	0.4
169.01366	0.3
172.76546	0.2
178.99876	2.2
187.04015	0.3
190.99927	0.2
192.00729	0.3
199.04030	0.3
211.04007	0.3
215.03636	0.3
226.02722	1.1
227.03473	3.6
228.04086	0.3
243.02945	4.9
245.04437	0.6
249.43271	0.2
254.02235	0.9
255.02951	15.7
256.03299	1.3
271.02457	32.6
272.02899	2.8
283.02451	0.5
284.03244	2.9
285.03909	1.1
299.02042	0.6
300.02716	76.0
301.03394	18.3
302.03751	1.2
345.08292	0.5
361.22415	0.4
403.23425	0.8
433.07693	100.0
434.08017	8.8
447.09146	4.9
447.18640	0.4
448.09595	0.6
509.96985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	6.6
68.90676	1.4
69.03455	3.1
71.01376	26.2
71.51371	2.6
72.99304	5.2
73.02931	2.6
75.00874	15.8
75.40726	1.8
75.70121	1.4
81.03439	2.2
83.01378	2.6
83.09948	1.4
85.02940	4.0
87.00877	35.5
89.02439	4.5
91.53907	1.4
97.02919	3.5
101.02446	7.6
109.02980	2.8
109.88887	1.7
113.02438	4.2
114.99561	3.4
115.00369	54.8
116.92789	2.2
123.04559	2.1
127.04008	3.7
135.02974	3.0
161.04501	2.0
169.05029	1.7
171.10268	12.3
175.02466	100.0
176.02733	2.6
179.10823	2.3
184.19464	1.8
197.11810	16.6
209.11923	1.9
245.11797	2.4
253.09216	3.2
255.23280	53.8
256.23618	4.8
263.12820	2.1
267.12332	2.1
285.13510	3.4
291.19272	2.0
321.54706	1.7
491.31866	2.3
503.21039	1.8
513.16235	1.7
520.44000	1.8
637.49811	1.7
759.45294	28.3
760.45044	3.0
771.45435	3.0
781.44318	2.4
799.44397	3.9
877.47906	35.3
878.47870	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	871.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	8.6
71.01375	3.9
78.95924	2.1
81.03433	1.4
83.01382	11.1
83.05081	1.2
85.02947	8.7
89.02424	1.1
91.01949	1.4
95.01391	2.2
95.05038	5.5
97.02974	1.2
101.02431	2.6
107.05011	1.2
113.02462	1.8
113.23489	1.2
116.92833	3.4
117.92847	1.3
121.06528	1.6
137.02434	1.9
145.39761	1.3
146.85785	1.1
150.03296	1.5
152.99605	1.5
175.30206	1.0
188.04832	1.1
203.14381	3.1
213.15028	1.7
247.13289	5.4
277.21722	25.4
278.21960	1.9
313.14566	2.7
333.55347	1.3
353.09915	1.3
853.44403	1.3
871.44800	100.0
872.44934	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	871.448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55023	1.0
61.98826	4.3
71.01373	7.5
73.02966	1.2
81.03436	2.2
83.01376	9.1
85.02943	10.1
87.00822	1.9
89.02435	3.1
95.05040	6.9
101.02433	4.6
111.04539	1.3
113.02381	1.8
116.92902	1.8
121.06557	3.1
122.03795	1.2
137.02440	1.9
145.03011	0.9
150.03204	1.6
152.99541	1.2
161.04591	0.9
168.13185	1.0
178.02672	1.4
182.82664	1.0
185.14592	1.1
186.76344	1.0
187.03987	1.2
188.04738	1.9
198.55951	1.1
201.05452	1.0
203.14432	5.3
211.13434	6.9
212.13728	3.3
226.50755	0.9
229.12343	2.1
247.13341	8.8
262.77026	0.9
271.13382	2.3
277.21722	18.7
278.22070	3.9
279.22559	1.1
289.14569	1.6
313.14493	2.6
315.12524	1.6
331.15469	2.5
397.13519	1.9
549.26758	1.1
682.43591	1.2
871.44751	100.0
872.44958	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17030	0.3
64.01380	0.3
65.00320	0.4
68.99828	0.5
71.53165	0.4
83.01378	4.7
85.02947	6.5
88.64613	0.3
91.05536	0.5
95.05009	0.7
105.07069	1.1
107.01392	1.1
108.02169	0.9
121.02939	1.0
125.02440	0.4
129.07053	0.3
131.05023	0.6
132.05774	0.8
133.06589	21.7
134.06908	0.8
135.00853	0.5
135.04527	0.3
137.02434	0.8
145.02921	0.9
146.03728	6.1
147.08141	2.2
148.05261	0.5
149.06042	1.8
150.03244	0.7
151.00343	4.7
151.07661	0.4
153.01939	0.4
157.06497	0.7
159.04486	0.8
160.05344	0.6
161.02440	0.6
161.09610	0.5
162.03183	0.6
163.00342	0.9
164.01059	0.4
164.04733	0.5
169.01349	0.4
171.08153	1.0
173.06055	1.5
173.09694	0.6
175.07617	6.3
177.05522	1.1
178.99858	2.5
182.02121	0.4
183.02989	0.7
187.03970	1.2
188.04720	0.8
189.09184	2.6
191.07092	0.9
195.93129	0.3
199.07631	0.7
201.05501	0.7
202.06400	1.0
215.07098	0.6
217.08641	4.1
219.06607	0.6
226.02658	0.6
227.03423	1.3
233.08168	1.4
243.02931	3.4
245.04469	0.5
254.02127	1.0
255.02959	10.8
256.03281	0.6
261.07645	39.8
262.07977	1.6
271.02444	24.9
272.02927	2.0
273.04028	0.5
300.02716	55.4
301.03403	16.8
302.03876	1.1
345.08057	0.4
495.11203	0.3
609.14539	100.0
610.14899	12.0
858.07501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53588	0.1
61.90856	0.1
61.98827	100.0
62.98528	0.1
66.66682	0.1
70.33997	0.3
75.44335	0.1
75.44849	0.1
79.95734	0.1
80.96506	0.1
114.39647	0.1
120.32236	0.1
172.84970	0.1
182.08047	0.1
209.77992	0.1
222.04564	0.1
277.21652	0.1
278.22211	0.1
416.59821	0.1
459.03342	0.1
628.99072	0.1
855.24579	0.1
855.82043	0.1
868.47400	0.1
869.47888	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	869.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.8
68.99562	4.2
69.03439	1.4
71.01380	15.7
71.51966	0.7
72.99293	1.7
73.02952	2.5
75.00865	1.4
78.95893	4.4
81.03452	0.8
83.01386	1.6
83.05017	0.5
85.02946	3.8
87.00871	4.8
89.02439	15.3
91.03968	0.6
95.01373	1.2
95.70669	0.5
97.02953	2.6
99.00863	1.2
99.04556	0.6
101.02440	14.7
112.98582	2.4
113.02448	7.4
119.03510	3.8
125.02451	5.4
127.20414	0.5
139.03877	0.5
141.01941	0.7
143.03484	2.4
152.99548	3.7
161.04547	4.2
167.03474	0.6
167.14386	0.7
171.00659	0.5
179.05620	4.1
183.13895	7.1
193.12302	2.0
199.06082	0.6
209.11783	0.8
210.12003	0.5
211.13374	100.0
212.13715	5.6
217.07008	1.1
221.06628	1.8
235.08220	5.8
240.13448	0.5
253.09158	1.0
259.08124	0.6
269.63062	0.5
277.21692	58.3
278.22089	3.6
287.07733	1.4
305.08783	2.3
323.09802	0.9
361.11154	0.5
379.12399	9.7
380.12714	0.6
397.13474	42.2
398.13730	2.3
404.11606	0.5
415.14551	9.0
591.26715	4.3
609.27692	3.7
657.34668	0.8
675.36090	1.6
693.38196	1.0
760.82703	0.6
809.40002	0.8
833.39740	1.0
869.41858	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	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22058	0.4
61.98516	0.3
61.98837	2.0
61.99107	0.5
68.99567	2.5
69.03445	1.5
71.01382	15.0
71.01780	0.8
71.07777	0.7
72.99304	1.5
73.02937	2.4
75.00863	1.0
78.95896	4.8
81.03448	1.0
83.01387	1.6
83.05036	0.5
85.02952	4.2
87.00879	4.8
89.02440	14.1
95.01393	1.2
96.96912	0.3
97.02959	2.5
99.00862	1.3
101.02436	11.5
111.04521	0.6
112.98573	2.0
113.02439	6.4
115.00381	0.8
115.04012	0.4
116.92858	0.9
119.03492	3.2
124.01650	0.4
125.02422	5.3
131.03465	0.6
139.03978	0.8
141.01849	0.5
143.03491	2.7
150.41940	0.4
152.99567	5.1
153.99968	0.7
154.99966	0.5
161.04552	3.0
165.12810	0.4
167.10727	0.6
167.14415	0.6
171.00586	0.6
171.10252	1.0
175.02457	0.5
179.05611	4.1
183.13895	7.5
193.12331	1.4
195.13815	0.5
197.11749	0.7
199.06129	0.7
209.11792	0.9
210.11958	0.4
211.13379	100.0
212.13705	4.2
217.07198	0.8
221.06596	1.1
235.08209	4.7
235.13329	0.8
245.06593	0.6
253.09251	0.9
255.23265	1.0
259.08163	0.5
267.12152	0.4
277.21698	47.4
278.22061	3.7
287.07764	2.1
290.58768	0.4
305.08810	1.8
323.09845	1.1
379.12418	8.0
379.16898	0.7
397.13474	32.9
398.13864	2.1
415.14529	7.0
416.14963	0.5
479.70273	0.4
591.26465	4.5
592.26868	0.6
609.27515	6.0
675.36096	1.2
693.38837	1.3
809.39978	0.6
833.39545	1.4
869.42053	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	870.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	81.3
69.32923	13.3
71.01373	4.9
74.35120	1.5
78.95892	2.5
79.95741	1.5
81.03462	5.8
83.01378	11.2
85.02934	1.9
90.34913	1.8
101.02454	2.2
113.02392	2.0
125.02428	4.0
152.99588	2.9
190.12383	3.0
204.13966	14.2
208.13373	6.9
222.15050	3.5
228.13968	2.6
234.20055	1.7
244.17041	2.8
246.14980	7.9
256.23666	1.7
264.15994	14.0
265.16711	2.2
270.14899	4.2
277.21698	15.7
288.16016	2.8
314.13968	2.8
330.17111	5.4
332.14978	2.0
342.59790	1.8
356.14951	5.6
374.15784	2.9
406.43118	2.1
468.37329	1.6
526.34167	1.7
678.24634	1.7
824.48926	2.1
870.46375	100.0
871.46692	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	867.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.5
71.01378	15.9
71.51640	1.3
72.99306	1.0
73.02949	3.3
78.95911	1.3
80.59293	0.9
83.01363	2.2
85.02953	4.9
87.00891	5.5
89.02439	14.7
97.02954	3.2
101.02435	12.3
111.00869	1.1
113.02428	8.5
119.03515	5.1
122.15170	0.9
125.02451	7.9
127.11260	2.9
139.03972	1.4
143.03468	2.8
149.04486	1.1
152.99544	2.2
153.09540	0.9
161.04552	4.6
162.29901	1.0
171.10257	100.0
172.10605	2.9
179.05548	3.8
209.11716	1.6
217.07083	1.6
221.06560	1.1
235.08282	5.8
250.10077	1.2
253.09511	1.4
255.23288	71.3
256.23672	5.1
273.18829	0.9
287.07611	2.6
305.08673	1.8
318.15067	1.0
323.09781	1.5
379.07697	0.8
379.12399	21.7
380.13123	1.1
390.60455	1.0
397.13489	45.5
398.13882	1.5
415.14499	7.4
441.12119	1.0
551.23499	5.8
569.24347	3.2
635.36481	4.6
653.37347	7.4
691.37811	1.9
693.39807	1.1
730.61011	0.9
867.44653	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	867.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.03611	2.0
66.32549	2.0
71.01380	7.2
71.52798	3.4
75.00859	2.0
78.91873	4.2
78.95900	3.7
79.95716	4.1
80.96525	9.8
83.01381	7.0
85.02969	3.6
87.00842	2.1
96.96006	19.0
99.00861	7.4
109.02946	2.9
111.00864	4.5
112.98816	2.6
116.92731	2.2
125.02423	2.7
137.02406	4.7
137.91153	1.8
139.00398	2.8
140.46350	1.9
141.01953	10.2
141.02899	1.8
141.90329	2.0
153.01930	16.6
165.01892	5.9
166.02657	2.8
167.03481	2.6
171.10182	3.1
181.01410	20.7
182.02196	40.7
183.02956	32.1
195.02885	2.2
205.05016	3.2
209.11794	4.8
225.00819	2.6
227.12894	2.6
345.08154	11.7
377.15985	3.6
456.86017	2.1
521.20276	5.8
705.23816	6.1
804.12537	2.1
867.29205	50.2
867.44849	8.7
868.29156	8.5
868.43854	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	867.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.00287	2.0
71.01368	5.7
79.95709	2.8
80.96505	4.9
81.38075	1.8
83.01390	9.2
84.92702	1.9
85.22640	1.7
87.00868	2.0
95.01338	1.8
96.95997	7.5
97.02952	2.5
99.00856	6.8
111.00904	4.2
112.98803	2.4
121.02906	3.3
123.04494	1.9
125.02421	1.9
134.89417	2.5
137.02408	7.1
139.00357	2.7
140.01047	2.2
141.01913	12.8
153.01926	20.5
156.00569	2.1
165.01953	9.0
165.98917	2.6
166.02550	2.3
167.03439	3.2
173.00879	2.5
174.01649	3.1
175.02408	2.8
179.03471	4.0
181.01419	27.3
182.00620	3.8
182.02193	62.9
183.02983	50.1
184.03175	2.9
195.02917	2.9
200.29243	2.3
205.04974	3.6
209.11790	5.8
211.13341	7.8
233.04425	6.4
276.24683	2.3
293.14011	3.3
310.08832	2.1
345.08191	26.9
349.16473	2.5
371.09515	2.7
376.15002	2.6
377.15707	2.4
421.19147	2.1
463.81229	2.2
521.20215	19.5
522.20563	3.3
537.18982	1.9
578.33905	2.0
705.23749	5.8
867.28925	63.5
867.43213	4.5
868.29840	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	867.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95225	1.5
61.98812	3.0
63.96223	2.1
71.01384	8.6
73.02941	2.7
78.98552	5.0
79.95735	18.7
80.96515	90.7
85.02930	4.1
86.61257	1.5
87.00864	3.2
94.98073	15.2
96.96006	1.4
98.20678	3.7
101.02401	3.2
106.98037	3.3
122.97552	5.4
125.02448	3.8
134.97552	4.3
145.55679	1.3
148.99120	8.2
152.98564	7.0
164.98581	13.5
206.99681	2.6
225.00746	22.0
229.21631	2.6
272.82840	1.7
314.59271	1.5
468.03583	1.5
475.83490	1.7
559.25403	2.1
791.17365	1.7
867.45532	100.0
868.45935	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51805	2.0
76.09997	1.3
81.03441	3.2
83.01382	6.3
93.03454	1.9
95.05016	1.7
97.02953	3.5
107.05029	1.5
109.02952	19.6
118.30072	1.7
121.02972	2.6
121.33737	1.3
121.95969	1.3
122.03761	1.7
123.04522	13.2
125.02445	100.0
126.02780	4.3
133.02948	4.7
135.04518	3.0
137.02441	21.9
139.03990	3.1
145.02858	1.3
149.02438	6.0
151.03998	12.8
159.04521	5.1
161.02428	31.7
161.06071	4.5
162.03148	2.1
163.00349	2.2
163.03966	2.6
164.01138	4.3
165.01930	4.8
167.03505	2.7
175.03999	14.1
175.07689	2.8
177.01938	6.5
179.03482	4.4
185.06035	1.7
187.03961	7.6
188.04750	4.1
195.24254	1.4
201.05530	3.0
203.03598	2.7
203.07130	10.2
205.01425	3.0
205.05055	8.1
211.03801	1.7
215.03450	2.5
217.05080	1.7
219.02917	1.5
227.03577	1.6
227.07199	3.0
229.05066	2.8
243.02933	4.5
245.04478	5.2
245.08121	12.5
247.06050	2.0
253.05069	1.3
255.03035	11.3
256.03766	4.3
257.04175	2.7
262.09268	1.3
273.04031	5.6
281.04590	6.4
283.02609	2.0
285.04117	4.0
287.05649	14.1
289.07162	54.7
290.07535	4.8
299.05582	4.2
339.08487	6.6
381.09464	2.9
407.07706	59.0
408.08060	5.8
425.08771	69.4
426.09171	7.7
451.10278	21.1
452.10278	2.8
472.21097	1.3
577.13470	55.9
578.13501	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	867.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65005	0.3
71.53363	0.4
75.01078	0.3
75.03721	0.3
81.03444	2.6
83.01368	1.0
85.58257	0.3
93.03442	2.3
107.01359	0.9
119.05020	3.2
123.04523	8.4
124.04972	0.4
125.02441	4.9
135.00864	0.5
135.04573	0.5
143.04979	0.4
149.02428	0.6
151.00365	1.4
153.01904	0.7
159.04567	0.4
163.00368	1.1
167.03490	26.8
168.03809	0.9
179.03474	3.1
182.02191	0.4
183.04628	0.4
185.06029	0.8
187.03969	1.0
189.05573	0.7
191.03387	0.4
211.04012	0.7
213.05582	1.0
227.03477	27.3
228.03850	2.6
229.05200	3.7
240.04178	0.3
241.05063	0.3
243.02687	0.4
255.02977	39.8
256.03476	6.6
257.04199	2.3
258.03848	0.6
273.07672	42.8
274.07986	2.6
284.03256	47.7
285.03995	48.6
286.04214	6.3
287.04456	2.4
288.04886	1.0
431.09796	100.0
432.10110	13.0
433.10336	4.5
434.10583	2.7
435.12979	7.0
436.13272	0.8
563.01434	0.4
626.21747	0.4
648.31403	0.4
670.08447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1984
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
64.87189	0.6
65.00294	0.6
67.01912	0.6
69.03468	0.7
71.21007	0.6
71.52669	1.1
81.03446	1.6
83.01377	4.8
89.03957	0.7
93.03424	1.0
95.01395	0.6
95.05022	1.1
97.02949	2.2
107.05013	1.6
108.02176	1.5
109.02945	11.9
110.78292	0.6
116.04090	0.6
117.03452	0.7
119.05066	0.8
121.02965	3.2
121.95749	0.5
122.03729	1.3
123.04527	7.8
125.02447	100.0
126.02760	1.7
131.05011	1.6
133.02977	4.9
135.04541	2.4
137.02440	13.0
139.04004	2.4
146.03760	0.6
147.04485	1.5
149.02454	3.4
149.06090	0.8
150.03268	1.1
151.04012	11.4
158.03722	0.8
159.04527	2.3
161.02438	32.9
161.06085	2.0
162.03047	2.6
163.00401	2.8
163.04007	4.8
164.01132	7.1
165.01950	5.4
167.03462	2.5
173.93423	0.5
174.03200	1.1
175.03996	15.1
175.07597	0.8
176.01276	0.8
177.01923	10.5
177.05511	1.3
179.03493	2.7
185.06052	1.3
187.03960	5.5
188.04701	1.8
189.01970	2.6
189.05576	1.2
190.02573	0.7
191.03490	1.2
193.04994	1.1
199.04015	3.9
200.04651	0.6
201.02013	0.9
201.05554	2.3
202.06410	0.7
203.03482	2.9
203.07162	4.7
205.01443	1.8
205.05040	3.7
208.58914	0.5
211.04082	1.6
213.05508	1.0
214.02727	0.6
215.03606	1.1
217.05060	7.9
219.02902	3.9
225.05566	1.0
227.03505	2.0
227.07112	1.4
228.04199	0.8
229.05086	2.9
230.05728	0.7
231.02960	0.8
241.05147	1.2
243.02979	18.2
243.06729	2.1
244.03482	1.3
245.04530	12.1
245.08189	5.6
246.04956	0.8
247.06081	0.8
255.02995	6.0
256.03717	2.7
257.04742	1.2
257.08102	0.7
261.03995	7.7
267.02820	0.7
269.04553	2.6
271.06134	0.8
273.04047	2.3
281.04633	2.3
282.01804	0.9
283.02554	1.5
285.04016	2.6
285.07474	0.8
287.05606	31.5
288.05988	1.8
289.07181	22.8
290.07529	0.9
291.01990	0.6
299.05420	3.5
306.07999	0.7
328.05960	0.7
339.08847	1.7
341.06622	2.1
365.06561	1.0
381.10165	1.3
383.07593	1.0
387.05255	0.8
395.07669	1.8
405.06061	5.0
407.07693	21.6
408.08002	1.2
413.08832	8.2
417.06186	0.8
423.07059	5.2
424.07571	0.9
425.08804	11.6
426.08841	0.7
435.07364	1.4
449.08789	6.1
450.09119	0.9
451.10284	7.4
467.10062	0.9
517.11780	0.8
525.08466	1.3
543.09210	4.2
544.09882	1.0
559.12567	1.3
561.10602	2.6
569.11029	1.9
575.11884	6.6
577.13434	12.1
578.14142	1.5
587.12213	3.3
695.14044	7.8
696.14655	1.4
713.15106	3.6
739.16742	2.5
754.24707	0.7
865.19708	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	866.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88249	0.1
61.98827	100.0
65.82677	0.1
69.85447	0.8
73.82062	0.2
79.95727	0.2
80.96497	1.0
93.64165	0.2
94.98067	0.2
117.42382	0.2
126.52908	0.1
127.36218	0.2
135.96034	0.1
151.04770	0.2
164.98572	0.2
255.23058	0.2
431.94464	0.2
443.60818	0.2
464.04742	0.2
764.27448	0.2
866.50018	1.7
867.49469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.3
65.00323	0.5
69.97437	0.4
69.97832	0.5
73.78568	0.2
80.61508	0.2
83.01376	0.4
98.19930	0.2
107.01369	1.2
108.02163	1.1
109.02968	0.4
121.02949	0.9
125.02481	0.3
135.00905	0.6
146.38286	0.2
148.01691	0.7
149.42073	0.2
151.00360	5.2
152.00827	0.2
163.00406	1.1
164.01146	0.5
178.99869	2.2
182.02255	0.2
183.02943	0.5
183.04515	0.2
187.03900	0.2
190.99928	0.3
199.03934	0.3
203.03545	0.2
204.03723	0.2
211.04024	0.5
226.02740	0.8
227.03444	2.0
229.05066	0.2
243.02977	6.4
244.03363	0.5
245.04549	0.5
254.02258	1.4
255.02983	16.6
256.03290	0.9
271.02463	35.4
272.02930	2.6
273.03995	0.4
283.02481	0.4
285.03989	0.8
299.01932	0.8
300.02728	83.7
301.03406	19.5
302.03894	1.2
313.07077	0.3
343.04623	0.2
345.08139	0.8
405.25052	0.3
433.07712	100.0
434.08047	9.9
461.07312	0.4
700.13092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.225
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.4
69.03452	1.0
71.01373	1.2
71.08611	0.2
71.52774	0.4
77.03970	0.6
81.03465	0.2
81.83727	0.3
82.27464	0.2
83.01381	2.4
85.02959	0.8
89.02490	0.3
93.03473	0.4
95.01390	0.7
95.05018	0.5
97.02941	1.1
99.00881	1.6
99.44381	0.2
101.02441	0.7
107.01340	0.3
109.02934	0.9
110.00037	0.6
111.00866	3.2
111.04489	0.7
113.02434	1.0
117.00211	0.2
121.02956	2.0
123.00851	0.9
123.04576	0.4
125.02443	0.8
129.01926	0.4
137.02443	5.9
139.00372	2.3
139.03990	0.9
140.01140	0.8
141.01933	3.9
142.02248	0.3
151.00328	1.6
151.03986	0.7
153.01920	3.6
154.02618	0.3
155.03461	0.7
161.02411	0.5
164.01138	0.3
165.01927	7.8
165.99083	1.3
166.02542	0.4
166.99823	1.1
167.03476	0.7
169.01387	0.4
177.02003	0.6
179.03465	0.4
181.01414	4.1
182.02197	66.8
183.02960	83.1
184.03333	2.8
186.01711	0.8
188.10449	0.3
190.99803	0.8
191.03667	0.3
192.00642	0.5
193.01317	0.4
193.05034	0.3
194.02168	0.7
195.02901	2.0
203.03351	0.4
207.02960	0.6
219.03198	0.3
234.01636	2.4
235.02428	2.8
237.03986	0.4
303.07877	0.3
345.08276	23.7
346.08487	1.3
369.10556	0.4
397.07822	2.7
465.12405	0.6
486.93002	0.3
507.13480	100.0
508.13763	9.8
521.64215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	10.2
65.03956	2.5
69.03436	3.1
71.01377	22.2
71.52422	1.6
72.00886	1.5
72.99277	1.9
73.02933	2.0
74.46536	1.3
75.00880	1.8
83.01381	2.1
85.02952	4.5
87.00883	3.8
89.02454	10.0
89.81992	1.6
91.05522	2.1
94.02850	1.3
94.87019	1.2
95.01405	1.8
97.02939	3.1
97.06562	2.4
101.02432	14.1
104.03503	4.4
112.26757	1.1
113.02443	5.1
115.05499	2.5
116.92834	3.2
119.03490	1.9
123.08168	2.5
125.02477	2.5
125.09698	8.4
128.57941	1.5
128.65982	1.3
161.04578	1.4
171.10251	1.9
175.02356	2.6
179.05467	2.2
182.02202	1.4
183.02972	1.3
185.11873	3.2
187.14938	6.0
201.12952	1.8
209.11766	8.0
211.13394	1.6
213.12877	4.4
215.10677	2.0
221.06621	4.6
231.13882	14.1
233.11696	2.0
235.08182	2.3
235.43993	1.6
249.14886	3.0
339.22931	1.7
357.24426	1.6
373.24066	2.0
383.22153	9.6
397.13440	3.4
401.23203	13.7
419.24503	2.7
470.50726	1.6
476.30597	1.4
519.23804	1.7
729.32599	1.8
781.36426	100.0
782.36407	19.0
799.37952	13.9
800.37750	3.2
819.14075	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	863.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02417	0.3
65.00330	0.3
70.07809	1.0
74.59422	0.3
83.82459	0.2
88.26259	0.2
93.03473	0.5
107.01374	0.5
132.02177	0.4
135.00917	0.4
136.56570	0.2
143.04997	0.3
151.00354	1.0
163.00378	0.8
168.39926	0.2
171.04443	0.4
183.04477	0.3
185.06036	0.6
187.03970	0.9
197.05956	0.5
211.03998	1.0
213.05405	0.5
227.03464	23.0
228.03856	1.6
229.05046	3.5
239.03452	0.7
240.04175	0.3
241.05055	0.7
255.02962	35.6
256.03568	5.2
257.04520	2.4
284.03235	52.4
285.03983	53.8
286.04391	3.5
327.04971	0.7
431.09775	100.0
432.10120	9.1
571.30811	0.3
690.34320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.6
65.00314	1.0
69.36525	1.3
70.68881	0.2
83.01372	0.6
91.01936	0.2
93.03455	0.3
98.19854	0.2
107.01380	2.1
108.02168	0.6
109.02956	1.6
118.80157	0.2
119.01353	0.3
120.95550	0.2
121.02952	1.6
125.02479	0.2
135.00903	0.3
139.03931	0.2
148.01682	0.8
149.02420	0.3
151.00359	9.8
151.01582	0.5
152.00694	0.3
157.06625	0.2
161.02438	0.3
163.00354	2.5
164.01141	0.4
169.01393	0.3
175.04041	0.3
178.99850	4.4
183.04492	0.5
187.03983	0.6
190.99843	0.3
192.00575	0.3
199.03990	0.5
201.05563	0.6
211.03993	1.5
215.03519	0.3
216.04309	0.3
226.02744	0.5
227.03496	5.1
228.03879	0.4
229.04994	0.9
239.03310	0.2
240.08464	0.2
243.02985	4.7
245.04495	1.3
254.02263	0.9
255.02972	18.6
256.03491	1.8
257.04462	0.3
271.02460	26.1
272.02991	1.9
273.04004	0.8
283.02405	1.5
284.03238	5.6
285.03922	1.8
299.01938	0.6
300.02725	54.7
301.03476	42.8
302.03845	2.7
341.58258	0.2
417.08228	9.4
418.08569	0.7
447.09274	100.0
448.09607	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	851.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.4
59.68307	0.3
71.52280	0.4
91.13002	0.4
96.95969	0.4
111.49014	0.3
119.05006	0.3
125.02457	0.4
151.00362	2.3
153.01996	0.4
155.32573	0.4
174.03183	0.4
178.99858	0.5
182.02209	1.0
183.02887	1.0
183.04572	0.9
211.04051	0.9
227.03490	31.9
228.03854	1.4
255.02983	41.9
256.03586	5.5
259.44867	0.3
271.02432	1.0
271.06110	1.3
284.03253	54.7
285.03922	12.6
297.04056	0.4
300.02670	2.3
301.03455	1.0
327.05066	0.5
345.08231	1.3
417.08246	100.0
418.08643	8.8
433.07489	1.6
447.09418	1.7
505.09616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.18056	0.8
75.66616	0.2
76.05083	0.2
85.61174	0.2
85.95108	0.2
90.08793	0.2
112.56952	0.2
125.76450	0.2
185.35770	0.2
189.74657	0.2
533.96088	0.2
548.66931	0.2
556.36395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.9
65.00295	0.6
66.50871	0.5
68.99799	0.5
69.03458	1.0
71.01379	4.3
71.52806	0.6
73.02941	1.0
74.98595	0.5
75.00872	0.7
77.03978	0.7
81.03444	1.2
83.01376	5.2
83.05056	1.2
84.97109	0.6
85.02956	1.3
87.00880	1.2
89.02444	1.5
91.68685	0.5
93.03454	1.0
95.01352	0.7
95.05016	0.7
96.96053	0.9
97.02957	1.9
99.00883	3.7
100.32967	0.6
100.95133	0.6
101.02444	2.0
109.02949	7.2
111.00872	4.1
111.04540	0.6
112.45787	0.6
113.02426	1.2
115.00365	1.1
121.02943	2.1
123.00910	0.9
123.93130	0.7
125.02439	1.4
125.09712	0.6
128.03545	0.9
129.02063	0.6
133.02948	0.7
135.04530	1.8
137.02449	6.1
139.00385	2.6
139.03998	2.0
140.01144	2.2
141.01945	6.2
143.04626	1.0
149.02510	0.6
150.03201	4.0
151.00433	0.6
151.04013	1.6
153.01930	7.4
154.02602	0.6
155.03557	0.7
161.02382	3.5
163.00388	0.6
163.04001	2.0
165.01927	10.4
165.99088	1.5
166.02710	1.2
166.99797	0.7
167.03532	1.2
171.10175	1.3
173.02513	0.6
175.02493	1.9
177.01888	1.7
178.02699	2.5
179.03470	3.4
181.01401	7.6
181.05052	1.0
182.02202	87.0
183.02971	82.9
184.03346	2.4
186.01718	0.9
190.99861	0.8
191.03490	1.9
192.00647	1.3
193.01424	2.4
193.05086	1.0
194.02097	1.4
195.03020	2.9
201.11305	5.3
206.02164	4.7
207.02922	2.4
207.04890	0.6
208.03702	1.4
209.04547	1.0
209.11809	13.2
218.99300	2.6
225.04047	0.8
225.11501	0.6
227.12830	2.5
233.00824	1.3
234.01674	77.3
235.02423	34.4
235.04912	0.9
236.02783	1.8
303.07159	3.7
306.07596	1.3
327.07175	0.8
345.08276	91.4
346.08615	5.5
397.07761	52.0
397.13217	4.1
398.08148	3.4
398.12686	0.6
507.11407	100.0
508.11609	12.8
523.40051	0.6
607.25433	0.7
743.17780	0.9
853.20007	8.6
853.34619	0.9
854.20984	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	849.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.6
61.98824	16.0
67.01864	0.6
69.03462	0.9
70.67006	1.0
71.01374	16.3
72.99299	3.3
73.02943	1.5
75.00869	6.7
78.95881	0.8
79.68707	0.5
83.01374	4.7
83.05015	0.6
84.02177	0.6
85.02947	3.9
87.00871	33.2
87.12792	0.5
88.01225	0.6
88.98762	0.5
89.02457	1.4
96.95994	1.2
97.02944	1.4
98.20031	0.8
99.00887	1.7
101.02430	1.1
111.00874	5.3
112.98812	1.5
113.02429	1.3
115.00368	54.7
116.00710	0.8
121.02958	2.7
127.00409	0.9
129.00966	1.0
129.01939	20.9
134.35896	0.5
135.02991	9.5
139.00352	4.8
143.03348	1.1
151.37955	0.5
157.01404	6.9
171.10272	1.2
175.02469	100.0
176.02832	2.5
183.13881	1.2
193.12286	0.6
196.74382	0.6
197.11855	1.3
206.99635	1.3
209.04538	1.8
209.11917	1.2
211.13370	10.9
212.13739	0.7
225.11348	0.9
225.14999	1.3
237.14948	0.9
239.16507	0.8
241.14497	2.5
247.13315	0.8
251.12823	0.7
253.09247	1.2
253.18082	0.5
261.14960	1.0
273.95508	0.6
289.14371	0.7
526.72662	0.7
655.67712	0.6
683.36261	0.7
695.29297	0.6
699.36072	3.9
700.35596	0.8
713.37909	1.7
732.37915	0.7
737.38220	1.1
745.40637	0.7
755.38818	1.3
787.41272	1.3
789.38763	0.7
849.36322	0.8
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
59.76735	0.1
61.98826	100.0
65.81965	0.1
67.81099	0.1
69.19511	0.8
69.19936	0.6
70.80392	0.1
71.01407	0.1
80.96524	0.3
98.19846	0.3
112.98872	0.1
120.72649	0.1
137.92096	0.1
193.83899	0.2
200.32646	0.1
209.11847	0.5
209.18146	0.1
393.82208	0.1
671.72174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.1
59.32861	0.5
61.55727	0.6
61.98820	1.9
63.77763	0.6
69.03450	1.1
69.57522	3.7
71.01381	3.5
72.99305	0.6
77.03937	0.8
79.01933	0.6
81.03486	0.8
83.01395	2.1
85.02929	1.4
85.17767	0.6
87.00863	0.9
93.03435	1.1
97.02921	1.9
99.00881	1.9
101.02428	1.2
108.02180	1.3
109.02949	7.8
111.00873	2.1
113.02407	1.1
115.00374	4.1
117.03450	1.2
119.05019	0.9
121.02962	5.2
123.00928	0.9
123.04478	1.1
125.02436	3.5
133.03056	0.8
135.04510	7.6
136.98848	0.6
137.02444	4.5
139.00378	1.8
139.03996	0.9
140.01141	0.7
141.01929	3.0
145.02969	4.0
149.02391	0.9
150.03250	1.5
151.03998	1.2
153.01938	8.5
155.03468	0.6
159.04558	1.0
161.02452	3.3
161.06094	1.9
163.03993	1.4
163.60866	0.6
163.74539	0.6
164.16985	0.6
165.01938	6.0
165.99077	0.7
166.02623	0.7
167.03487	0.8
168.02621	0.6
169.01424	3.7
169.54048	0.6
175.02467	0.9
175.03941	1.4
178.02711	0.9
178.17160	0.6
179.03474	3.9
181.01418	12.5
182.02197	50.1
183.02965	61.3
184.03340	2.9
187.03981	1.8
191.03494	1.3
193.01404	1.4
194.02174	0.7
195.02924	1.6
203.03493	1.0
206.02214	1.4
207.02913	2.3
209.04414	0.7
213.05582	0.9
218.99341	1.5
219.03003	1.2
225.05687	1.3
226.06297	2.2
227.07097	1.8
230.01833	0.9
234.01678	33.7
235.02422	14.3
241.05101	1.3
242.05795	2.6
243.06587	19.7
244.06931	1.4
253.08707	0.7
255.10208	1.2
271.09702	2.0
281.08160	1.1
282.05334	0.7
297.07614	3.5
300.02594	0.8
303.07379	0.8
327.07126	7.4
341.06766	2.3
345.08237	100.0
346.08606	5.2
351.59137	0.7
359.07968	0.9
397.07678	21.9
398.08224	1.6
407.26407	2.5
423.09042	1.5
425.07214	0.9
441.08228	2.3
443.08176	6.5
449.06451	0.6
503.12131	2.0
507.11472	17.6
508.12070	1.4
559.13110	1.6
605.13770	1.3
630.62311	0.6
651.17639	1.5
669.15753	2.2
687.16425	5.7
739.17450	1.3
849.20551	6.4
850.21173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.99307	0.2
61.98827	100.0
62.98534	0.2
69.09485	0.1
71.01390	0.3
71.81347	0.1
78.95936	0.2
80.96517	0.3
85.02898	0.1
86.36050	0.1
88.98794	1.0
89.02460	0.2
98.20668	0.3
101.02433	0.1
125.02426	0.2
128.13599	0.1
136.77779	0.1
156.81743	0.1
175.02562	0.1
186.68298	0.1
197.11870	0.4
198.12134	0.2
200.17668	0.1
209.11827	1.4
210.12210	0.4
211.13393	0.3
227.12828	0.2
253.09213	0.2
267.18631	0.1
309.20761	0.6
310.21054	0.3
341.23386	0.2
406.27353	0.1
589.75378	0.2
787.40387	0.2
788.40747	0.5
849.38928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98512	0.2
67.12695	0.1
71.01415	0.1
71.28667	0.2
75.35331	0.1
79.43533	0.1
88.98798	0.1
113.42049	0.1
120.08901	0.1
125.02459	0.1
129.01953	0.1
157.51122	0.1
177.15868	0.1
281.97333	0.1
304.12927	0.1
397.13776	0.1
583.15936	0.1
759.25464	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98820	0.6
69.03452	1.1
69.86579	0.4
69.99604	1.9
71.01371	2.9
74.99051	0.4
80.66193	0.5
81.03453	0.6
83.01376	2.6
85.02955	1.1
89.02447	0.7
93.03461	1.0
95.01399	0.9
97.02956	0.8
99.00886	1.5
108.02222	0.8
108.92625	0.4
109.02948	6.8
111.00880	2.0
113.02444	0.8
115.00357	3.6
119.05051	0.6
121.02963	5.0
123.04562	0.7
125.02421	3.1
133.02899	1.2
134.03745	1.0
135.04512	6.6
136.98761	0.9
137.02446	4.3
139.00394	1.8
139.04025	1.2
141.01932	3.1
145.02965	2.0
147.04526	0.5
149.02461	0.7
149.06093	0.6
150.03189	1.9
151.03966	0.8
153.01923	7.7
155.03474	0.6
159.04503	1.1
161.02457	3.0
163.03964	1.0
165.01947	5.2
165.99023	1.1
166.99873	0.7
167.03445	0.6
169.01372	3.2
175.02534	0.5
175.03976	1.2
178.02711	0.9
179.03476	4.4
181.01421	12.5
182.02202	48.3
183.02968	62.9
184.03345	2.3
185.06078	0.5
187.04012	1.9
187.07657	0.6
191.03493	1.2
193.01424	1.3
194.02191	1.3
195.02951	2.3
197.06050	0.7
203.03581	0.9
206.02155	1.3
207.02866	1.2
213.05667	1.0
215.07135	0.6
218.99361	0.8
225.03777	0.7
225.05731	1.0
226.06282	2.1
227.07018	0.6
229.01242	0.9
234.01671	27.4
235.02429	13.3
241.05035	2.0
242.05836	3.9
243.06615	23.6
244.06927	1.4
245.08141	0.7
255.10292	0.6
267.06622	0.5
269.08224	0.6
271.09723	1.9
289.07190	1.3
297.07681	3.5
327.07181	7.6
341.06320	2.6
345.08240	100.0
346.08655	6.7
359.07675	0.9
397.07758	16.5
398.08148	1.4
407.26566	0.9
427.08844	0.6
441.08325	2.0
443.08221	6.2
455.67963	0.5
487.11847	0.5
503.11548	1.6
507.11453	14.8
508.12140	1.5
559.12891	1.9
605.13586	1.8
643.16577	0.9
651.17993	0.6
669.14990	2.4
687.16254	5.0
688.16583	0.7
729.16931	0.6
739.17358	1.1
777.53046	0.5
834.63397	0.5
849.20856	6.8
850.20905	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	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.0
61.98829	15.2
71.01376	10.7
71.05019	1.0
71.43018	1.2
72.99294	1.9
73.02940	1.7
75.00871	4.1
83.01372	1.9
85.02946	1.8
87.00864	2.6
88.98804	4.1
89.02447	9.0
95.05000	1.8
97.03004	1.1
97.06597	11.8
98.31232	1.0
98.58615	1.0
101.02441	9.0
113.02415	3.6
119.03472	1.3
123.08131	5.4
125.02442	1.8
125.09723	83.3
126.10036	2.6
139.66969	1.1
143.10736	1.3
161.04543	1.7
169.08731	1.1
187.09749	60.4
188.10088	2.3
209.11771	2.2
221.06615	3.0
277.21738	9.5
396.87305	1.1
397.13507	1.7
567.22980	1.4
585.23834	4.1
614.73590	1.4
712.36993	1.2
845.45313	100.0
846.45764	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	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98827	100.0
71.01392	0.4
72.99302	0.2
74.95417	0.2
75.18555	0.2
78.98580	0.2
79.95750	0.2
80.43503	0.2
80.96507	1.1
81.25720	0.2
84.68016	0.3
88.98804	0.6
94.98106	0.3
109.31963	0.2
125.02425	0.2
141.01610	0.2
164.98557	0.2
209.11823	0.2
210.44899	0.2
229.35872	0.2
428.15613	0.2
463.66415	0.3
608.47668	0.2
788.40820	0.9
849.39227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.7
61.98581	1.0
61.98827	10.2
62.55657	1.1
64.35963	1.3
64.93997	1.3
69.03425	1.2
71.01379	12.8
71.51380	1.4
71.51733	1.5
72.03117	1.2
73.02947	2.2
85.02948	3.3
87.00850	4.3
88.98792	2.8
89.02432	10.8
97.02935	2.7
97.06599	12.8
101.02457	9.2
105.01934	2.4
113.02415	4.6
116.92826	2.0
119.03474	2.9
123.08157	9.7
125.02413	2.4
125.09723	65.2
130.44942	1.2
187.09749	34.7
201.67227	1.4
221.06619	1.3
222.30264	1.2
237.04213	1.3
277.18900	2.1
277.21716	26.4
278.22031	2.2
397.13480	2.7
585.24298	1.6
671.75861	1.4
845.45276	100.0
846.45685	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	845.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.4
60.99302	4.5
61.98827	6.0
69.03437	1.7
70.25130	0.6
71.01379	20.9
71.01779	1.2
71.33408	0.6
71.50455	0.8
72.99287	2.6
73.02952	3.3
73.91048	0.6
75.00854	2.2
81.03449	1.9
83.01370	1.4
83.05027	1.1
83.16676	0.8
85.02960	5.3
87.00867	5.6
88.98802	20.8
89.02437	16.0
95.01340	1.4
97.02928	2.4
97.06561	0.8
99.00885	1.5
101.02444	11.9
105.42219	0.6
109.06567	1.8
111.08151	1.0
113.02442	6.4
119.03490	2.8
125.02437	4.2
127.08542	0.6
129.90440	0.6
135.08156	0.9
137.09735	1.2
143.03444	1.7
149.96597	0.6
161.04509	2.5
171.10207	2.5
179.05540	4.1
205.16014	0.9
209.11772	1.8
211.13359	2.4
213.14940	1.4
221.06607	1.9
231.17496	1.3
235.08228	2.0
239.16440	1.6
241.18124	0.7
247.13255	0.8
263.07556	0.8
267.19485	0.9
289.18201	0.8
293.21280	1.8
307.18985	0.7
313.25143	1.2
315.26898	2.5
325.25409	5.0
341.24677	2.1
343.26462	3.8
344.26804	0.8
351.23413	1.1
359.25879	4.4
360.26102	0.8
361.27435	1.1
369.24286	6.8
377.26950	1.2
387.25406	11.0
388.25839	1.2
393.08282	0.7
397.13474	5.4
405.26413	24.6
406.26807	1.8
413.73248	0.8
757.39014	1.7
767.38849	1.1
785.39587	100.0
786.39972	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	845.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.9
60.99291	1.5
61.98822	4.3
65.35875	0.8
68.99811	0.8
69.03426	1.3
70.70107	1.6
71.01015	1.4
71.01379	20.9
72.99281	1.4
73.02928	2.5
75.00854	1.1
81.00628	0.7
81.03429	1.5
83.01363	2.5
83.05023	1.5
85.02954	4.6
87.00883	6.2
88.98809	7.0
89.01942	1.2
89.02445	16.2
95.01344	1.4
97.02930	2.7
97.82865	0.7
99.00875	1.4
101.02435	12.9
111.08153	1.2
113.02467	5.4
119.03468	3.0
125.02451	3.8
135.08156	1.2
137.09695	0.8
143.03470	1.2
161.04549	1.6
179.05583	3.8
185.78207	0.8
211.13354	1.3
213.14952	0.8
221.06575	2.0
231.17410	0.8
235.08118	1.5
239.16379	1.7
241.18044	0.9
247.13228	1.3
263.07407	1.0
265.18082	0.8
268.43155	0.9
275.16553	1.3
293.20853	0.9
315.26859	2.1
324.32846	0.8
325.25381	4.5
326.25659	0.8
333.27829	0.9
341.24667	2.1
343.26245	4.5
349.45453	0.8
351.23270	1.1
353.76929	0.8
359.25964	4.1
361.27457	2.4
369.24411	5.6
387.25427	11.1
388.25638	1.1
397.13351	5.4
405.26392	21.6
405.31674	1.1
406.26810	1.6
479.29568	0.9
623.34454	0.8
757.40106	1.4
785.39594	100.0
786.39929	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	837.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29925	5.0
69.30331	1.4
81.03456	1.0
83.01361	1.3
86.23910	0.6
99.00882	0.8
109.02925	3.2
111.00873	1.1
121.02915	0.9
123.00869	2.1
123.04514	1.0
125.02452	1.2
135.04498	0.7
136.98732	1.6
137.02428	2.8
141.01932	3.4
151.00349	4.1
151.03981	0.9
153.01920	16.8
154.02238	0.8
160.00435	0.6
163.03999	0.8
165.01926	2.9
166.99796	0.7
167.03452	2.4
177.01996	0.9
180.99751	1.3
181.01413	44.6
182.02196	25.6
183.02965	56.6
184.03259	3.0
195.03014	1.8
203.01817	1.0
203.03517	7.3
206.02161	0.8
207.02991	2.3
219.03011	0.7
227.07043	1.9
228.07466	1.2
234.01711	1.9
255.10176	1.6
260.03293	1.5
261.03955	1.5
303.07028	2.0
327.07269	2.1
344.07547	5.7
345.08286	28.9
346.08685	1.1
387.09250	0.8
397.07712	2.4
423.09360	5.7
507.13510	100.0
508.13846	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
63.96247	2.3
69.34223	4.0
69.34646	3.9
71.01384	9.4
73.02921	1.6
78.95911	3.0
78.98581	8.3
79.95734	17.7
80.96514	99.3
82.96117	5.2
85.02943	3.4
87.00864	4.1
88.58689	1.1
92.85361	1.3
94.19741	0.9
94.71922	1.0
94.98076	17.9
96.96015	5.1
97.02950	2.8
98.19900	2.0
98.82914	1.0
101.02435	2.7
106.98075	3.5
112.54124	0.9
122.97570	3.8
125.02445	2.4
134.97606	6.1
148.99126	7.3
152.98592	6.4
164.98619	11.4
167.00273	1.1
206.99620	2.2
225.00755	16.5
262.11224	1.0
277.21692	2.2
279.23428	2.1
385.38528	1.0
561.27917	1.4
734.59711	1.5
836.51086	1.2
839.49670	100.0
840.49908	23.2
843.59607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.9
61.98802	3.4
69.61849	0.9
70.29938	0.9
70.67402	3.1
71.01375	4.9
72.99299	1.7
73.02921	2.3
82.86989	1.1
83.01379	3.6
85.02923	2.0
87.00877	6.6
87.04510	1.3
87.67278	1.0
91.01858	2.2
93.03473	1.6
95.01357	1.2
99.00848	1.5
101.02407	2.8
101.46908	1.0
105.03448	1.4
115.00365	6.5
125.02451	1.2
131.03470	2.0
137.02406	4.6
138.03201	2.0
140.01065	1.7
141.01924	1.3
143.03482	2.6
150.03224	6.0
151.03989	6.5
153.01874	2.9
157.19559	1.0
164.04750	1.8
165.01900	3.3
166.02725	1.3
166.06296	1.1
167.03452	3.7
175.02435	11.2
175.03981	5.0
177.01920	4.1
178.02664	4.2
179.03494	10.3
181.01381	2.9
181.05046	11.3
182.02199	9.4
183.02953	2.1
193.05052	40.1
194.05496	1.6
195.02965	3.1
198.05275	1.3
205.07057	1.2
206.02216	1.4
207.02980	1.5
209.04533	8.6
209.11769	1.3
210.05264	3.1
221.04532	100.0
222.05206	11.3
306.07587	1.0
345.07947	1.9
520.54150	1.1
665.27496	1.3
682.28210	3.6
683.29199	17.3
684.29517	2.9
711.31970	1.3
836.35089	1.2
845.34363	93.6
846.34631	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	837.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98824	1.5
69.03470	1.1
69.44920	3.4
71.01397	2.8
73.02955	1.0
75.00878	1.3
77.03967	0.5
78.95895	0.6
81.03449	0.8
81.45754	0.5
83.01379	4.6
85.02951	2.4
87.00877	1.6
89.02454	0.9
93.02747	0.9
93.03461	2.4
95.01392	0.6
96.96013	4.7
97.02960	2.0
97.57201	0.5
99.00866	2.6
101.02464	1.4
108.07395	0.5
109.02958	1.5
111.00889	2.7
113.02438	1.5
115.00356	1.3
116.92877	0.8
119.05030	1.1
120.48425	0.5
121.02914	1.3
123.00841	0.6
125.02437	1.1
126.98074	0.5
128.03545	0.8
133.02969	0.8
137.02440	7.7
138.03212	2.2
139.00371	1.8
139.04002	1.1
140.01140	1.5
141.01923	4.8
145.02962	1.2
146.04607	2.0
149.83493	0.5
150.03188	1.0
151.03979	1.4
153.01924	7.7
154.02574	0.5
155.03529	0.7
161.02460	0.9
163.04051	1.1
165.01917	13.2
165.99043	1.1
166.02711	3.1
166.99762	0.9
167.03493	2.0
170.02240	0.8
171.04582	0.6
171.10271	1.6
173.06242	0.6
175.02454	3.1
175.03796	0.5
177.01926	0.9
178.02805	1.0
179.03485	1.7
181.01404	10.1
182.02194	68.0
183.02965	71.4
184.03397	2.5
184.04803	0.5
185.12061	0.5
192.95610	0.5
193.01390	1.9
193.05066	0.5
194.02222	4.8
195.02959	3.5
197.11804	1.5
199.13255	0.8
203.03500	0.9
206.02147	1.0
207.02959	1.7
209.00848	0.8
209.11809	2.2
210.12085	0.7
211.13428	0.8
217.05005	0.6
218.99348	0.6
221.00905	2.4
225.04001	0.7
227.12863	1.1
228.13248	1.2
229.04996	3.5
234.01683	12.4
235.02423	9.5
243.00803	0.6
243.03288	0.5
243.06487	0.7
244.07500	0.6
257.04535	2.0
258.05273	1.1
259.06003	4.3
261.06174	0.5
273.07681	1.3
286.04807	1.2
287.05704	2.8
288.78345	0.6
300.06332	6.9
301.07059	0.8
302.08026	1.4
303.07321	0.9
308.34668	0.6
327.05035	7.1
327.08453	0.6
328.05841	25.8
329.02603	0.9
329.06595	19.8
330.06961	0.9
345.08234	56.3
346.08664	4.0
397.07724	10.1
397.12988	0.6
398.08035	0.7
491.11911	100.0
492.12241	9.6
584.39020	0.6
639.36652	0.6
649.23950	0.6
675.15356	1.5
675.32507	1.0
675.63904	0.6
726.39758	0.6
740.67090	0.6
837.20764	13.9
837.35754	0.9
838.20111	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	837.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.5
61.98802	0.6
69.03452	1.3
71.01362	3.5
72.99302	0.9
73.02921	0.7
75.00865	0.9
75.61195	0.5
77.54361	0.6
78.95889	0.6
81.03442	0.7
83.01385	4.7
85.02959	1.0
86.98555	0.6
87.00850	1.3
89.02432	1.1
95.01412	0.6
96.96020	6.4
97.02938	1.6
99.00871	2.4
101.02452	1.2
102.05611	1.1
104.79685	0.5
109.02921	1.1
111.00897	2.7
115.00374	2.1
119.04979	0.7
121.02950	1.4
125.02441	1.1
128.03500	1.5
135.04622	0.9
136.98820	0.6
137.02446	5.7
138.03215	1.6
139.00354	2.2
139.04015	1.4
140.01118	1.4
141.01958	5.8
143.04541	0.7
145.02925	0.6
145.06190	1.4
146.04601	2.8
149.02402	0.6
150.03194	1.2
151.04008	1.6
153.01917	6.6
165.01926	11.9
165.99023	1.6
166.02719	2.8
166.99791	1.0
167.03484	2.0
170.02205	1.5
171.10236	1.7
175.02451	2.9
177.01865	0.8
178.02673	1.0
179.03401	1.6
180.99930	1.0
181.01410	8.4
181.04977	1.2
182.02199	64.8
183.02965	59.8
184.03326	2.7
186.01729	0.6
187.07529	0.6
193.01442	1.1
194.02193	4.6
195.03073	3.3
197.11745	1.0
201.11362	1.1
203.03502	0.9
206.02200	1.1
207.02943	1.1
209.00804	0.9
209.11774	3.4
210.12173	1.0
211.13445	1.5
225.11440	0.7
226.01140	0.6
227.12866	2.9
228.13223	0.6
228.92540	0.5
229.04990	3.0
233.00955	0.6
234.01646	12.9
235.02435	9.5
236.02823	0.7
244.07294	0.8
257.04572	1.9
259.06076	4.8
273.07819	1.6
283.06015	1.1
287.05530	1.7
300.06238	5.2
301.07193	0.7
303.07495	0.9
327.04984	7.4
328.05838	25.6
329.06592	21.1
330.06906	1.9
345.08231	60.0
346.08533	3.5
397.07794	9.1
397.13144	1.4
398.07913	0.8
417.15140	0.8
491.11926	100.0
492.12253	9.1
602.28479	0.6
675.15369	0.9
836.36920	0.6
837.20825	13.1
837.36298	1.5
838.20844	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	836.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29451	0.2
59.01377	0.3
61.98827	100.0
71.01399	1.0
71.52888	0.3
78.95930	0.2
80.96509	0.8
83.01344	0.2
87.00901	0.2
89.02467	0.4
94.98123	0.2
96.95985	0.5
101.02430	0.2
111.16769	0.2
116.51528	0.2
164.98743	0.2
174.01750	0.2
175.02463	0.2
209.11961	0.3
211.13390	1.1
212.13852	0.5
225.00873	0.3
397.13461	0.4
426.05603	0.2
836.38696	0.7
837.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44229	0.1
61.98828	100.0
62.98537	0.1
65.08004	0.1
67.69916	0.1
68.71310	0.1
71.14783	0.1
80.96516	0.3
109.19083	0.1
214.39371	0.1
837.49127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.8
61.98822	0.7
63.14524	0.3
69.03456	0.8
71.01377	1.3
72.17539	0.3
75.00835	0.6
75.59583	0.3
77.03975	0.5
83.01386	1.5
85.02961	0.7
88.98840	0.5
89.02419	0.4
93.03475	0.8
95.01395	0.8
96.20394	0.3
97.02940	0.9
97.75990	0.3
99.00894	1.0
99.52404	0.3
101.02380	0.3
103.67234	0.3
109.02940	1.0
110.00069	0.6
110.69578	0.3
111.00872	1.1
113.02439	0.4
115.00385	0.4
116.92871	0.4
119.05010	0.7
120.27887	0.3
121.02959	0.8
123.02168	0.3
123.04504	0.8
124.22862	0.3
125.02415	1.2
131.74585	0.4
133.02924	0.6
136.98801	0.6
137.02441	4.0
139.00363	1.7
139.04010	0.9
140.01151	1.2
141.01953	3.8
146.04546	0.6
149.02400	0.5
151.03978	0.9
153.01930	5.8
155.03491	0.4
161.02464	0.4
163.04016	0.5
164.78325	0.4
165.01898	4.9
165.99072	1.1
166.02492	0.4
166.99837	0.9
167.03419	0.9
173.04451	0.4
177.01959	1.6
178.02762	0.6
179.03455	1.8
181.01422	7.5
182.02196	58.6
183.02965	64.5
184.03308	2.3
184.93216	0.3
191.03542	0.6
193.01552	0.4
193.05061	1.5
194.02319	0.3
195.03049	2.0
207.02974	0.5
207.05063	0.5
221.00922	1.1
222.01668	0.4
223.02425	0.4
225.03955	0.6
234.01657	0.5
235.02480	0.4
283.06119	0.5
284.06857	2.9
285.04257	0.5
285.07590	1.3
287.05627	0.9
297.07587	0.8
303.07108	0.5
311.05704	0.6
327.07205	2.5
329.06787	0.7
345.08228	100.0
346.08609	7.0
371.06140	0.9
409.30249	0.3
447.13132	2.8
449.10712	0.6
491.11993	4.1
507.12238	0.5
509.12781	0.6
551.10162	1.0
643.91656	0.4
713.15375	1.0
805.29663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98820	1.2
69.03433	0.6
70.53242	0.4
71.01382	2.4
71.52608	0.5
72.99304	0.6
74.78214	0.4
75.00869	0.6
77.03951	0.5
81.03479	0.7
83.01378	2.1
85.02953	0.7
87.00871	1.5
89.02445	1.1
93.03437	1.0
95.01385	0.9
96.95988	2.3
97.02931	1.0
98.52789	0.4
99.00885	1.6
101.02430	1.5
109.02957	1.1
110.00112	0.6
111.00879	1.8
111.04493	0.6
113.02436	1.1
115.00356	1.8
116.92810	0.6
119.03509	0.5
119.05038	1.6
121.02973	1.2
123.04522	0.5
125.02395	0.8
127.03993	0.5
127.11385	0.5
129.01955	0.5
132.04584	0.5
134.06125	0.6
136.98796	0.5
137.02454	4.5
139.00352	1.4
139.04094	1.1
140.01134	0.5
141.01913	2.7
145.06133	0.5
151.03909	1.2
153.01915	5.0
160.04102	0.5
161.02280	0.4
163.04021	0.7
165.01917	5.2
165.99039	1.4
166.99742	0.8
167.03471	0.9
171.10246	1.8
175.02516	2.7
176.58301	0.5
177.01984	0.8
178.04999	0.4
181.01414	7.9
182.02199	71.3
183.02972	69.7
184.03325	2.0
185.11743	0.5
194.02162	0.7
195.03021	2.1
197.11778	0.8
200.09509	0.6
207.03102	0.6
209.11816	2.4
211.08742	0.9
215.09946	0.4
215.11819	2.1
225.04118	0.4
227.12822	1.4
229.13400	0.8
236.09573	0.6
237.10245	3.4
239.12010	0.6
249.10239	0.9
250.07341	0.8
251.08229	1.1
251.11874	3.5
253.09572	0.5
255.11388	1.0
257.12967	3.9
261.10373	0.6
263.08176	1.4
264.09009	5.6
265.09631	0.6
267.11246	0.5
277.09753	1.6
279.11383	12.2
280.11792	1.0
295.10660	0.9
296.11548	0.6
297.12390	1.7
305.09216	1.3
323.10339	2.9
327.07227	4.4
341.11264	1.5
345.08234	100.0
346.08548	6.5
367.09402	0.5
373.14084	0.6
393.23108	0.4
397.13300	0.8
491.11935	11.6
492.12018	1.3
615.24805	1.1
621.92914	0.4
675.31714	1.0
725.28223	0.8
769.27008	0.5
787.27338	2.6
805.29449	4.8
806.29596	0.9
819.30627	1.7
837.32080	6.2
838.33264	1.0
858.20020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.2
63.99249	0.2
71.01385	0.2
78.95898	0.3
79.30191	0.1
79.95822	0.1
80.96526	0.4
94.98113	0.1
98.20692	0.3
113.42714	0.1
121.02980	0.2
133.04765	0.1
137.94128	0.1
197.11794	0.1
201.97917	0.1
204.30447	0.1
211.13432	0.5
212.13803	0.2
213.13994	0.2
229.14171	0.2
302.15350	0.1
309.20831	0.2
311.22232	0.2
506.66510	0.1
537.94965	0.1
700.82953	0.2
707.25409	0.1
826.05231	0.1
834.52502	0.4
835.39667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	31.2
69.48428	5.7
71.01376	20.1
72.99298	2.5
73.02953	2.0
75.00854	1.4
80.05057	1.6
81.03462	1.0
83.01377	1.4
85.02953	5.7
87.00861	3.6
89.02446	13.9
95.01382	2.2
101.02432	10.5
106.06621	6.0
107.03752	1.4
108.04525	1.3
108.17423	0.9
113.02466	5.8
115.00366	2.6
119.03487	4.9
122.06117	10.6
125.02469	1.8
128.03571	2.3
132.04555	2.1
134.06122	27.5
136.07687	1.6
143.03571	1.2
143.04613	3.1
146.06139	1.8
150.05627	1.3
152.07133	6.0
160.06361	1.4
160.07562	1.2
161.04553	1.4
171.10193	1.9
172.41283	1.0
175.02516	6.2
180.06638	1.6
182.02248	1.9
183.02942	2.0
188.07112	1.9
190.05124	1.7
206.02115	1.0
209.11838	24.2
213.10228	6.1
223.08830	1.4
225.10155	2.3
226.11060	1.1
227.13052	7.0
233.04765	1.5
233.69902	1.0
235.08464	2.6
237.10373	2.1
238.11133	1.3
239.11848	4.8
241.13405	4.8
249.06602	1.2
249.10265	3.2
250.07384	1.4
251.08235	2.0
251.11772	2.8
252.08807	1.4
253.09705	4.1
256.77432	1.0
261.10223	1.6
263.08255	3.1
264.09015	1.3
265.09763	3.2
267.11380	4.0
272.09003	1.1
275.08170	1.1
277.09705	4.9
278.07144	1.9
278.10565	5.0
279.07660	3.8
279.11313	7.4
285.12476	9.1
291.07809	1.3
291.11371	1.0
292.08502	2.5
293.09280	9.3
293.12711	2.2
294.09903	3.1
295.10742	6.0
300.02740	1.5
301.03448	1.6
305.09103	2.4
306.07584	4.7
307.07779	1.4
307.10825	4.0
307.89099	1.1
309.12369	1.8
314.12527	1.3
321.08701	2.1
322.09128	1.7
333.08694	1.3
337.08228	1.3
337.11826	2.0
339.09805	4.5
345.08215	2.5
351.09818	3.5
358.15491	3.1
384.13226	2.7
397.13498	5.0
398.14557	1.7
400.16522	6.2
410.14493	1.2
412.16495	4.3
415.14301	1.4
425.18137	1.2
447.09497	1.2
480.95517	1.2
486.16461	2.3
512.52631	1.2
620.22479	3.2
638.23175	6.7
645.02924	1.1
648.21509	5.1
649.22107	2.7
666.23077	26.9
667.23517	5.9
680.25079	2.3
712.26965	9.7
713.27344	1.7
727.29736	6.7
759.32367	1.6
771.28802	47.8
772.29395	9.8
791.30792	1.1
803.31390	100.0
804.31781	20.6
830.05585	1.2
835.33997	24.5
836.34015	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	833.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.6
61.98536	1.3
61.98829	18.0
69.03445	2.2
69.16402	2.1
69.16801	7.4
71.01009	1.7
71.01377	23.1
72.99298	9.8
73.02930	3.0
75.00870	33.9
78.95893	2.4
80.96522	1.4
81.03459	0.9
83.01367	2.4
83.05016	1.8
85.02962	9.1
87.00876	30.6
89.02446	5.2
93.68121	0.8
95.01392	1.0
96.96000	3.2
97.02937	3.6
99.00882	2.7
101.02440	7.7
109.02944	5.3
109.06587	1.6
111.00856	1.5
113.02419	4.1
115.00376	55.7
115.04031	1.7
116.00696	1.9
123.04494	2.8
123.08191	1.0
125.02415	2.6
127.00285	1.7
127.03990	4.0
129.01903	1.1
135.03030	5.5
143.03461	1.6
155.10883	1.0
157.01395	1.5
161.04539	1.5
169.05042	4.0
169.12386	4.5
171.10260	22.1
172.10559	1.2
175.02469	100.0
176.02788	4.1
179.10712	1.2
182.02180	0.9
183.02971	1.3
183.13882	7.5
193.12347	4.9
195.13899	3.2
197.10004	1.6
197.11818	29.2
198.12088	1.0
207.10184	1.8
209.11835	9.3
211.13380	65.7
212.13716	3.5
215.82295	0.9
219.19977	0.9
221.11746	2.8
223.13376	2.7
225.11263	2.3
227.12875	2.6
227.92424	1.0
233.11774	1.1
235.08215	2.2
235.13416	1.5
237.11292	1.4
239.12904	5.6
241.14438	3.7
245.11751	1.9
251.12646	1.0
253.09300	7.6
253.14458	1.6
255.23174	2.0
267.12292	3.0
279.23181	1.1
285.13391	9.4
297.13278	1.1
327.21750	3.7
447.22137	3.3
499.23355	1.1
503.21155	5.1
521.22620	5.2
548.67596	1.2
601.32037	2.2
671.32104	1.4
697.34406	1.7
699.35553	1.7
711.32452	1.5
713.33484	5.4
714.33832	1.6
715.35425	50.6
716.35944	9.1
733.35638	1.3
735.36182	1.6
737.33917	1.8
745.36890	2.7
753.37421	1.2
755.34906	12.6
773.35736	4.8
774.36652	1.4
833.38428	2.5
833.51349	3.2
854.27380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.94840	0.2
61.98827	100.0
62.98539	0.2
64.64894	0.2
68.72935	0.2
71.01379	1.2
71.51335	0.3
71.51720	0.2
78.95892	1.2
79.95739	0.4
80.96508	1.4
87.00890	0.3
89.02423	0.2
96.95971	0.3
101.02445	0.2
109.06570	0.3
112.98847	0.3
115.00398	0.2
121.66528	0.2
151.57375	0.2
175.02496	0.2
207.10342	0.4
209.11867	0.8
210.12267	0.3
211.13411	1.0
225.00784	0.4
225.11368	0.3
227.12895	0.3
241.01190	0.3
255.23335	0.6
256.23666	0.3
279.23367	0.5
280.23535	0.3
397.13593	0.2
459.07925	0.2
468.88113	0.2
641.12677	0.2
807.96191	0.2
833.52216	0.4
834.38593	0.5
834.53082	0.9
835.39496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
65.00314	0.5
67.69904	0.4
69.03444	1.7
69.36121	3.3
71.01381	4.2
77.03978	0.4
81.03459	0.7
83.01378	3.0
85.02946	1.4
85.72225	0.4
87.00869	0.4
89.02415	0.5
93.03461	2.3
95.01404	0.6
97.02936	1.1
98.19872	0.5
99.00883	3.3
101.02470	0.6
108.02164	2.4
109.02959	5.6
111.00879	2.5
111.04529	0.5
113.02438	0.9
115.00378	4.8
117.03465	0.6
119.05000	1.4
121.02949	2.8
122.03774	0.8
123.04484	0.9
125.02526	0.8
135.04532	1.2
136.98811	0.6
137.02434	5.3
137.46545	0.4
139.00391	2.2
139.04042	1.2
140.01093	0.8
141.01929	4.5
145.02962	2.2
145.06627	0.5
146.03680	0.6
147.04466	1.2
147.79547	0.4
151.00232	0.5
151.03963	1.1
153.00708	0.7
153.01926	12.5
155.03502	0.5
157.01384	0.5
159.04601	0.5
161.06061	1.3
163.04027	1.0
164.01111	0.4
165.01917	7.2
165.99083	0.6
166.02711	0.8
166.99792	0.8
167.03455	0.8
171.04460	0.9
175.03993	0.5
177.01929	0.6
179.03447	0.8
179.05629	0.7
180.99805	0.6
181.01414	18.3
182.02194	60.6
183.02968	78.1
184.03276	2.9
185.05997	0.7
187.03989	1.2
193.05188	0.5
194.02274	0.6
195.03046	2.2
197.06033	0.7
203.03508	0.6
207.02995	1.6
207.04947	0.7
208.05254	0.7
210.07027	0.8
211.07600	1.5
218.12273	0.4
219.03035	0.5
225.05618	1.1
226.06305	3.7
227.07115	25.4
228.07401	1.3
235.07603	0.6
238.06311	0.5
239.07222	0.7
253.08720	2.1
255.10242	12.1
256.10629	1.0
266.05844	2.6
278.63889	0.5
281.08167	6.6
282.08551	0.8
303.07047	0.9
325.06964	2.2
327.07111	16.2
328.07516	1.2
341.10278	0.8
343.08173	5.0
344.08279	0.5
345.08228	100.0
346.08566	6.9
385.09421	0.5
425.07153	0.6
443.08267	11.9
444.08762	0.7
485.09393	0.6
507.13373	3.3
545.11877	0.6
545.79529	0.5
605.13397	2.4
627.17371	0.6
653.14856	1.6
671.16028	10.5
672.16888	1.3
713.17438	0.9
833.21564	4.2
834.22522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98827	100.0
62.98518	0.2
66.15719	0.1
78.95912	0.6
96.03255	0.2
98.19869	0.5
132.03062	0.2
137.52780	0.2
211.13475	0.5
212.13785	0.2
213.14056	0.2
246.26282	0.2
255.23265	0.2
277.21811	0.4
343.04480	0.2
345.58023	0.2
517.10907	0.2
832.51227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
63.27624	0.3
63.95044	0.3
65.00302	0.3
69.03437	1.2
69.57779	0.3
69.61179	1.8
71.01380	2.6
73.30505	0.2
77.03974	0.5
78.84778	0.3
81.03449	0.7
83.01376	1.6
85.02945	0.9
89.02447	0.4
93.03455	2.0
95.01376	0.5
97.02939	0.6
98.19876	0.3
99.00873	2.2
101.02418	0.5
108.02200	0.7
109.02963	2.9
110.00098	0.3
111.00886	2.4
111.04510	0.5
113.02441	0.5
115.00381	2.9
117.03459	0.9
119.05032	2.0
121.02962	2.2
122.03768	0.3
123.00877	0.6
123.04511	0.7
125.02448	0.7
131.05042	0.3
133.02945	0.6
135.04512	1.1
136.98756	0.6
137.02437	5.4
139.00352	1.7
139.04007	0.8
140.01176	0.6
141.01942	3.7
143.05046	0.3
145.02957	3.3
146.03656	0.3
147.04460	0.6
149.02409	0.5
151.04002	0.7
153.01932	8.6
154.02397	0.3
155.03490	0.4
157.01396	0.3
159.04385	0.3
161.02435	0.8
163.04015	1.9
165.01923	5.4
165.99046	1.3
166.02605	0.6
166.99858	0.8
167.03473	0.9
170.09912	0.3
177.01920	0.5
179.03481	0.8
181.01419	13.9
182.02197	58.0
183.02966	70.3
184.03337	2.7
185.06056	1.2
187.04044	0.8
191.03459	0.4
193.05054	0.5
194.02243	0.4
195.03021	1.9
197.04427	0.4
197.06088	0.4
199.07579	0.8
207.02959	1.1
207.04871	0.5
209.06064	0.5
210.06813	1.0
211.07617	0.5
219.02953	0.3
225.03769	0.5
225.05591	0.8
226.06262	2.6
227.07121	35.3
228.07449	2.5
234.01691	1.2
235.02486	0.5
237.08916	0.3
253.08591	1.1
255.10265	4.3
263.06958	0.4
266.05780	1.0
281.08273	3.0
284.03278	0.3
285.22690	0.3
303.07056	0.8
307.05856	0.4
325.06793	1.4
327.07138	9.5
328.07666	0.5
329.06406	0.7
343.08237	1.9
344.08420	0.4
345.08234	100.0
346.08560	7.0
397.07526	0.6
397.93893	0.3
425.07059	0.7
443.08234	7.2
444.08835	0.4
447.09332	0.4
450.56308	0.3
471.12778	0.4
485.09442	0.4
489.13535	0.4
491.11868	1.8
507.13339	4.0
508.13278	0.3
605.13611	1.7
627.17004	0.8
635.17841	1.2
653.15448	1.0
671.16156	4.0
672.16626	0.9
712.37970	0.4
713.17645	0.7
773.19501	0.4
833.21454	3.1
834.21069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98827	62.3
62.73014	0.5
69.41825	4.1
71.01373	3.8
73.02933	0.6
76.97865	0.6
78.95903	1.1
83.01373	1.1
83.05038	0.9
83.80133	0.5
84.06323	0.5
85.02953	1.4
87.00877	0.9
88.98804	1.2
89.02430	2.0
97.02939	1.4
101.02442	3.3
104.03526	1.0
111.08154	4.1
113.02424	1.2
115.00340	0.5
119.03474	0.9
132.69511	0.5
161.04533	1.8
165.12851	1.2
169.12291	1.7
171.10271	1.3
175.02484	0.7
175.13245	0.5
183.13916	6.6
193.12325	2.4
197.09981	1.2
197.11812	22.2
198.12196	1.0
199.13377	1.3
209.11852	1.8
211.13379	100.0
212.13692	4.9
227.12938	1.3
235.08144	5.0
250.18698	0.6
253.09271	10.3
254.09633	0.6
255.23232	0.7
263.20099	1.4
265.18008	0.9
273.18527	1.2
277.21518	0.7
291.19641	12.9
292.20032	2.1
309.20685	40.8
310.20917	2.7
447.22302	11.1
464.96429	0.7
503.33823	1.1
508.27823	0.6
527.28864	1.6
545.29596	2.8
704.85596	0.7
739.43347	1.3
740.43787	0.8
831.50140	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	831.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.9
63.44133	0.6
70.41651	1.6
70.41985	1.6
70.52999	0.7
71.01363	0.9
77.38855	0.6
78.95898	71.5
79.95726	2.4
80.96511	9.4
94.98068	1.1
96.48340	0.8
96.96955	15.9
100.78055	0.6
108.94331	0.7
122.97575	1.2
152.99588	17.4
164.98637	1.0
167.06857	0.7
171.00854	1.0
186.87932	0.9
192.03506	0.8
208.92918	0.8
223.00116	7.6
225.00771	1.7
241.01180	28.9
253.21735	1.1
255.23283	53.1
256.23642	4.3
259.02213	2.2
267.67972	0.8
277.21698	31.0
278.22070	3.4
279.23679	0.9
297.03827	1.5
391.22574	6.2
413.21033	1.4
553.27826	4.6
575.25903	0.9
744.41052	0.9
831.50177	100.0
832.50409	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	830.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98826	9.0
68.96969	0.8
69.03427	1.4
71.51159	0.9
71.51540	0.8
77.03967	0.9
78.95879	1.1
83.01409	1.3
88.98827	1.4
91.41631	0.9
97.02934	1.0
99.00866	1.4
105.01915	1.9
110.00046	1.2
111.00876	2.0
125.02424	0.8
135.04466	1.3
137.02466	5.1
139.00334	1.9
141.01927	3.5
153.01917	4.1
165.01965	6.2
165.84091	1.0
165.99062	1.9
166.99826	0.9
181.01378	6.6
182.02206	81.0
183.02980	74.7
184.03296	2.3
194.02109	1.0
195.03008	1.9
211.89845	0.8
225.04108	1.0
277.21609	1.9
468.45233	1.0
562.76880	0.9
605.29626	100.0
606.29895	17.1
632.04901	1.0
831.48328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.0
61.98827	2.8
67.41229	0.4
69.03454	0.8
71.01376	3.9
71.12753	0.4
72.99304	0.7
76.53125	0.5
81.03452	0.6
81.63043	0.5
83.01390	0.8
83.05003	0.6
85.02945	1.1
87.00855	1.1
87.56942	0.4
88.98815	0.8
89.02417	2.6
95.05036	0.5
97.02969	0.5
97.06586	1.7
101.02415	2.9
105.01936	2.8
113.02435	2.0
119.03493	0.8
123.04504	0.6
123.08151	0.8
125.06137	0.5
125.09726	2.4
135.08170	0.8
137.09691	1.0
147.65677	0.5
156.56052	0.5
161.04707	0.9
163.11293	2.9
165.12825	1.1
167.14294	0.8
171.10260	2.9
183.13882	7.5
185.11798	2.9
191.10774	0.6
191.14386	2.7
193.12326	1.5
207.10301	1.9
209.11795	6.5
211.13374	100.0
212.13712	5.2
225.11307	1.0
235.08218	3.3
237.11258	1.1
245.19025	5.5
253.09286	7.8
263.20117	1.5
271.16931	1.0
277.21674	1.6
289.18076	27.7
290.18362	2.4
307.19122	25.7
308.19461	2.1
385.23981	0.9
397.13556	1.0
447.22342	5.8
483.31064	1.0
501.32291	1.1
525.27179	1.8
526.27399	0.5
543.28137	1.0
621.32910	4.3
622.32990	0.8
639.33557	0.9
701.39136	1.0
719.39880	1.4
737.41467	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	828.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.0
59.01378	1.4
61.98824	9.4
69.31729	8.0
70.02914	1.0
71.01362	2.4
74.02470	10.9
75.00864	1.4
82.02991	1.7
83.01392	3.7
84.04539	1.8
85.02956	1.5
86.02486	5.0
87.05624	1.1
88.98777	4.7
91.87843	1.0
92.15662	0.9
96.96014	3.8
97.04083	1.2
99.00898	4.4
99.05652	7.9
102.05621	1.6
103.00397	1.0
105.01945	2.5
109.04053	1.7
111.00853	1.5
111.05627	1.0
115.00386	2.2
116.01832	1.0
116.92873	3.2
124.04000	1.0
127.05116	1.6
128.03545	24.2
135.05653	2.3
137.02419	4.2
139.00313	2.0
141.01929	3.8
141.06741	3.3
143.04622	33.9
145.06198	1.7
146.04605	3.2
153.01920	3.9
153.06633	2.3
160.00743	9.1
165.01901	3.1
167.04578	2.7
167.08231	1.8
175.02470	2.9
177.03349	3.7
179.04588	7.5
181.01428	1.8
181.06137	1.1
182.02199	16.1
183.02980	25.0
185.74631	1.0
197.05768	1.1
209.11742	2.1
210.08891	6.8
254.07806	7.5
272.08917	10.5
288.06702	4.8
306.07651	100.0
307.07840	7.3
345.08160	1.6
349.16809	1.3
403.67825	1.1
460.51361	1.0
521.20325	32.7
522.20520	5.2
750.29926	1.4
784.29675	24.3
785.29932	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	829.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
62.69614	0.5
64.39020	0.5
71.01379	5.0
71.01743	0.7
71.28668	0.5
71.52595	0.6
71.53001	0.9
83.01396	0.7
85.02943	1.0
89.02465	0.7
93.03445	5.0
95.01442	0.6
99.00867	1.2
101.02474	0.6
108.02170	6.1
109.02235	1.0
109.02950	19.4
110.03242	0.8
113.02457	1.5
115.00366	6.8
117.03463	1.8
119.05019	8.6
121.02943	2.7
122.03735	3.1
123.04513	2.0
124.36913	0.5
125.02419	0.8
131.05101	0.8
132.02112	1.0
132.05832	0.6
133.02954	12.8
133.06593	1.2
134.03691	2.1
135.04518	46.3
136.04855	1.8
136.87010	0.5
137.02428	1.5
145.02971	5.2
145.06619	0.8
146.03650	1.6
147.04501	3.5
149.06055	2.5
150.03189	0.5
157.01392	0.8
159.04509	1.7
161.02435	36.3
161.06053	3.0
162.02771	1.4
163.04033	4.1
171.04594	0.8
173.77156	0.5
174.03207	0.9
175.02518	1.0
175.03964	5.7
177.05577	3.6
178.02818	0.5
179.03488	31.3
180.03847	1.2
182.02185	0.6
183.03008	0.8
183.08191	0.6
185.06064	1.7
187.03993	2.9
188.04715	0.7
189.05542	0.6
197.06027	1.5
199.07616	1.0
203.03484	26.1
204.03868	1.6
209.06102	0.9
210.06845	1.5
221.04536	2.1
225.05470	2.3
226.06331	12.0
227.07121	100.0
228.07460	5.1
237.05623	0.6
237.09175	1.0
239.07092	6.1
241.04887	1.0
242.05701	0.9
243.06570	4.2
245.04289	0.7
253.08690	5.9
254.08997	0.9
255.10251	68.4
256.10611	4.1
263.07117	1.1
264.08005	0.8
266.05777	4.6
269.08197	0.5
271.02338	0.7
271.09781	0.7
274.54105	0.6
279.06656	0.7
281.08203	12.5
282.08380	0.9
297.07605	1.8
299.02023	1.5
299.09244	4.5
323.07721	6.6
325.06805	2.8
326.07535	0.8
333.24045	0.6
341.08783	17.1
342.09219	1.1
343.08182	59.3
344.08588	4.7
359.07462	1.0
365.08987	0.5
365.17978	0.6
385.09125	1.7
415.10452	1.0
423.09256	2.4
439.08459	2.4
445.11450	2.1
463.08627	1.4
487.12659	5.3
503.12192	3.1
505.12573	2.3
623.17902	2.0
649.15936	1.1
667.16675	23.2
668.17065	4.6
709.17615	0.6
829.22565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.1
63.02394	2.9
65.00330	4.0
71.01371	1.5
71.51609	0.6
80.91094	0.5
81.03419	0.5
83.01390	2.6
85.02946	1.1
90.11815	0.5
95.01376	0.7
107.01392	8.3
109.02953	6.6
113.02386	0.7
115.00325	0.6
118.12272	0.5
125.02436	4.4
129.57672	0.5
137.02444	19.9
145.03008	0.5
151.00360	39.7
152.00726	1.6
161.02374	1.0
163.00336	3.1
165.01904	1.9
169.01399	2.6
175.03995	0.9
178.99854	29.1
180.00166	1.1
182.02184	0.9
183.02991	1.2
183.04466	0.7
187.04089	0.6
190.99873	0.6
192.00632	2.1
193.01414	1.4
193.03494	0.6
199.03978	1.4
203.03333	0.8
215.03455	1.0
227.03510	2.3
243.03050	2.5
245.04475	0.7
261.04016	1.5
271.02496	5.1
287.01950	1.2
289.03516	1.1
296.27228	0.5
299.01941	4.3
300.02353	0.5
316.02228	1.9
317.02991	100.0
318.03311	7.1
331.06812	1.0
345.08151	1.4
403.58954	0.6
449.05869	0.6
477.10229	1.1
493.06216	86.6
494.06589	9.0
594.76117	0.5
616.65302	0.5
771.08911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.6
61.98829	100.0
66.00386	5.7
71.01389	13.2
71.52165	8.5
73.02949	8.8
80.96517	11.1
99.92561	10.1
116.92855	69.0
171.10248	15.7
171.31033	6.7
174.01672	7.2
197.11800	18.3
201.11302	8.9
207.10239	6.4
209.11806	49.6
211.13356	13.1
225.11327	13.2
227.12891	11.2
253.09334	8.6
289.18066	14.0
291.19711	8.8
307.19095	24.6
309.20676	23.8
445.20544	8.0
627.90594	7.5
688.60834	7.9
751.40021	7.7
823.41937	41.6
824.42145	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	825.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.2
69.03437	0.3
69.26382	1.4
69.26805	1.1
81.03443	2.1
83.01380	1.9
83.45808	0.3
91.05489	0.2
93.03444	1.1
95.01392	0.6
95.05019	2.4
97.02948	4.1
108.02169	0.4
109.02944	16.2
110.03252	0.5
111.04481	0.2
121.02948	1.7
122.03701	0.5
123.04519	10.4
124.04799	0.3
125.02441	11.9
126.02813	0.3
133.02931	0.4
135.04495	1.6
137.02443	7.7
138.03169	0.4
139.03998	2.3
142.06618	1.6
145.02930	0.6
146.03717	1.0
147.04549	0.6
149.02441	2.6
150.03232	0.7
151.03990	5.8
152.04308	0.3
157.06580	0.4
159.04539	1.6
159.08194	0.3
160.05266	1.0
161.02443	0.8
161.06068	3.5
162.03212	1.2
162.06364	0.3
163.04002	0.7
164.01123	2.4
165.01926	3.1
166.02589	0.4
167.03499	1.6
167.17679	0.3
171.04970	0.3
173.06070	0.7
174.03207	0.4
175.04010	1.9
175.07629	1.8
179.03485	5.3
185.06042	0.9
186.05568	0.8
187.04013	3.6
187.05669	0.5
188.04774	3.4
199.07599	0.6
201.05559	0.4
202.06406	1.4
203.03375	0.5
203.07137	10.7
204.07483	0.8
205.05037	6.2
205.06848	0.5
206.05380	0.4
212.04753	0.3
217.08621	0.7
221.08191	2.2
227.07169	1.5
230.05739	0.4
231.02963	0.8
245.08177	13.9
246.08504	0.8
247.06032	0.9
271.06018	0.8
289.07166	100.0
290.07516	8.1
320.03708	0.3
367.52737	0.3
398.70847	0.3
430.81473	0.3
619.52197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98521	0.1
69.65260	0.1
71.01379	0.1
71.28095	0.1
75.09483	0.1
78.95900	0.6
80.96529	0.5
83.19449	0.1
89.76210	0.1
96.92572	0.1
152.99635	0.3
164.98640	0.1
209.11876	0.2
225.00772	0.1
277.21848	0.2
278.22205	0.1
279.23117	0.2
289.18234	0.1
293.21262	0.2
307.19333	0.2
401.89182	0.1
516.59937	0.1
701.36780	0.1
819.41644	0.5
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
61.98827	100.0
64.07040	0.1
68.54790	0.1
71.01408	0.2
78.91922	0.2
78.95918	0.2
78.98595	0.1
79.95758	0.2
80.96524	0.6
88.99452	0.1
94.98124	0.2
96.96048	0.4
158.34526	0.1
195.58176	0.2
208.40665	0.2
225.00592	0.2
277.21814	0.2
297.44110	0.1
438.52554	0.2
622.32837	0.1
820.39331	0.2
821.40820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
61.98830	100.0
64.42549	1.1
71.01369	3.0
71.21394	1.3
71.21721	1.6
79.95737	1.0
80.96507	4.7
96.96002	6.1
101.02447	1.4
101.95498	1.1
174.01639	2.0
179.05618	1.2
206.69119	1.2
225.00792	1.8
284.34695	1.2
289.43573	1.0
387.25858	1.4
405.26337	2.2
449.80212	1.3
487.89694	1.1
501.51578	1.2
515.18396	1.2
739.16296	1.2
785.39716	19.3
786.40009	4.2
821.37878	16.6
822.38202	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	823.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
63.02395	2.0
65.00319	3.7
70.32237	0.9
70.32580	0.8
71.01376	2.7
72.99310	0.7
83.01384	2.6
84.30984	0.4
85.02953	2.3
89.19421	0.5
91.01853	0.4
93.03450	1.1
93.98537	0.4
95.01402	1.0
99.00898	0.6
103.00360	0.5
107.01395	9.0
107.84435	0.4
109.02944	4.2
113.02452	1.3
119.01324	0.5
121.02947	6.9
133.62370	0.4
139.03957	0.9
145.02986	0.5
149.02455	1.4
151.00360	34.7
152.00740	1.1
159.04532	1.2
161.06168	0.5
163.00383	4.2
169.01430	2.1
173.06207	0.6
175.02510	0.8
175.03992	0.5
178.99860	15.4
180.00240	0.5
182.02275	2.1
183.02950	2.1
183.04468	0.8
185.06012	0.5
187.04042	0.7
190.99834	0.6
193.01427	0.8
199.03896	0.5
201.05583	1.3
211.03976	1.8
227.03485	1.5
229.05011	1.9
239.03479	0.5
240.04036	0.6
243.03178	0.4
245.04544	2.8
255.02969	4.9
256.03583	0.9
266.02206	0.5
271.02448	0.9
273.04004	2.5
283.02396	2.4
300.02634	1.1
301.03506	100.0
302.03860	8.8
345.08334	2.0
477.06674	71.6
478.07065	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	817.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
60.75623	0.3
65.00327	0.6
69.03455	0.9
69.27009	1.5
69.27424	0.9
70.23202	0.3
71.01379	2.6
77.03973	0.5
81.03438	0.5
81.09203	0.3
83.01376	2.0
84.55304	0.3
85.02950	0.7
89.02448	1.9
93.03450	3.4
95.01407	0.5
97.02948	1.1
98.20607	0.7
99.00883	1.3
101.02438	0.9
108.67208	0.3
109.02934	1.3
110.00092	0.4
111.00874	2.2
111.04486	0.5
113.02452	0.8
115.00377	0.8
117.03486	0.5
119.03519	0.9
119.05032	2.4
121.02955	1.5
123.00903	0.5
123.04541	0.4
125.02448	0.9
131.05016	0.5
133.02940	0.5
135.04527	0.4
136.98788	1.0
137.02444	4.7
139.00359	2.0
139.04005	1.3
139.51398	0.3
140.01154	0.5
141.01927	3.1
143.05000	2.0
145.02931	1.3
149.02438	0.3
149.55028	0.3
151.04001	0.6
153.01926	8.1
155.03522	0.5
163.03973	1.2
165.01923	4.8
165.99054	1.3
166.99821	0.8
167.03520	0.5
177.01987	0.7
179.03362	0.5
179.05586	1.1
180.69766	0.4
180.99776	0.6
181.01405	12.6
182.02193	60.0
183.02962	67.1
184.03307	2.2
193.05220	0.4
194.02155	0.7
195.03003	2.4
207.02983	1.1
210.06802	2.3
211.07622	23.3
212.07993	1.4
223.07703	0.4
225.04022	0.9
235.07532	0.4
237.09157	0.6
249.03969	0.4
265.08679	2.3
306.98126	0.3
309.07602	0.8
314.56696	0.3
327.07010	8.2
328.07928	0.5
345.08224	100.0
346.08572	7.4
369.59634	0.3
443.08267	0.9
491.12061	0.5
507.13452	3.0
508.14182	0.4
637.15442	1.3
655.16534	3.7
656.16809	0.5
680.50427	0.7
697.17670	0.8
757.20331	0.4
817.22046	1.1
818.22699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79167	0.4
57.03438	0.5
59.01393	2.5
65.00327	1.2
67.01870	0.5
68.99833	0.5
69.03451	1.5
69.48221	3.1
71.01378	2.7
74.39360	0.5
75.00832	0.5
77.03971	0.9
80.31876	0.5
81.03458	2.1
83.01383	4.8
85.02959	1.7
89.02465	1.4
93.03453	3.4
95.01389	0.7
97.02947	2.1
99.00901	2.2
101.02433	0.9
109.02940	4.4
110.00078	1.0
110.03333	0.5
111.00868	3.7
113.02478	1.1
117.03460	6.4
119.05030	17.9
120.05363	0.9
121.02949	2.7
123.00871	0.9
123.04534	2.9
125.02435	1.7
129.01942	0.6
135.00890	1.2
135.04512	0.5
136.98822	3.5
137.02440	6.9
137.06058	0.6
139.00368	3.2
139.04044	1.4
140.01176	1.2
141.01920	6.0
143.05016	2.8
145.02953	22.5
146.03275	1.4
147.04491	0.6
151.00357	0.9
151.03990	1.4
153.01930	40.7
154.02292	1.3
159.04503	1.0
161.06070	1.7
163.04007	7.8
165.01926	8.6
165.99068	2.3
166.02626	1.7
166.99818	1.4
167.03485	8.1
177.01855	0.7
177.05539	0.7
179.03447	1.4
181.01421	51.2
182.00450	0.6
182.02196	79.6
183.02966	97.9
184.03329	3.3
187.03983	1.6
191.03493	1.4
193.01489	0.6
194.02209	1.0
195.02966	2.6
203.03424	0.6
205.04999	1.0
207.03017	3.6
217.04980	1.2
219.02921	0.9
222.06827	0.5
223.07635	12.5
223.78712	0.5
224.08066	1.7
225.03920	1.4
227.07082	1.0
234.01660	4.1
235.02505	3.1
237.03972	0.7
237.09212	5.2
238.09689	0.5
239.10823	0.5
244.03719	1.6
245.04468	1.8
249.03967	1.4
253.08704	0.7
265.08621	2.2
275.91006	0.4
283.09579	2.3
285.06171	0.9
303.07156	1.4
309.07544	2.2
325.09555	1.7
327.07150	80.1
328.07486	6.2
345.08228	100.0
346.08630	6.8
369.09729	0.6
383.50037	0.6
397.07806	3.1
407.09747	2.8
491.11935	37.4
492.12271	4.4
507.12759	0.9
611.17285	2.0
637.15033	0.6
655.16650	11.3
656.17090	1.7
817.22058	6.1
818.21790	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	815.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99675	0.7
63.96236	2.4
71.01377	10.7
71.52008	1.2
73.02934	1.6
78.98586	8.4
79.20887	0.7
79.95732	17.4
80.96513	98.1
85.02950	4.3
87.00865	2.7
94.98080	22.9
96.95992	1.3
97.02927	1.9
101.02428	2.5
106.98066	3.8
122.97563	4.9
125.02413	4.3
126.38210	0.7
134.97578	7.1
136.99149	2.2
146.97437	0.7
148.99126	8.2
152.98621	8.8
158.57809	0.7
164.98610	15.8
167.00156	1.1
191.40334	0.7
196.89439	1.1
206.99696	4.1
225.00725	24.3
255.23222	2.0
277.21634	1.8
537.27490	1.6
559.25427	2.4
646.10046	0.8
815.49756	100.0
816.50159	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	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
63.96230	1.8
69.03439	0.7
69.85217	0.3
69.86579	1.4
71.01377	8.7
73.02936	2.0
78.98583	7.0
79.95729	15.5
80.96512	94.0
81.03451	0.8
83.01388	0.5
85.02943	3.8
87.00870	3.2
94.98078	19.4
95.01371	0.5
96.95997	1.4
97.02946	1.9
98.19974	0.4
99.00861	0.7
101.02429	2.5
106.98080	4.1
122.97585	3.8
125.02444	3.2
127.03990	0.9
134.97586	5.6
136.99139	1.9
138.97018	0.3
141.01762	0.4
143.06261	0.4
146.97603	0.5
148.99123	8.3
152.98618	7.8
164.98616	14.4
167.00096	0.5
188.98642	0.6
206.99686	3.5
225.00722	19.4
226.01086	0.7
230.94902	0.3
255.23245	2.1
277.21646	0.9
283.05032	0.6
287.43393	0.3
315.63351	0.4
537.27216	1.2
538.82562	0.4
559.25952	2.5
608.15564	0.4
639.42139	0.4
717.60669	0.4
815.49762	100.0
816.50098	22.9
828.67078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01885	0.3
59.01374	2.4
61.05499	0.3
65.00333	0.4
68.33428	0.3
68.67056	0.3
69.03445	1.3
69.48859	0.6
69.49252	2.0
71.01379	2.5
72.99297	0.3
74.22082	0.3
75.00909	0.3
77.03979	0.7
81.03439	0.8
83.01382	2.2
85.02947	1.0
87.00877	0.4
89.02415	1.5
93.03459	6.6
95.01389	0.9
96.99300	1.3
97.02956	1.1
99.00891	2.6
99.45840	0.3
101.02441	0.6
108.02157	0.4
109.02936	1.3
110.00123	0.4
111.00879	1.8
111.04482	0.6
113.02452	1.2
115.00388	1.1
117.03455	0.4
119.03532	0.8
119.05018	3.2
119.60954	0.3
121.02944	1.3
123.04512	0.9
125.02433	0.9
131.05020	1.0
133.02939	1.0
134.52850	0.3
135.04515	0.7
136.98746	1.0
137.02434	5.4
139.00389	1.8
139.04002	1.2
140.01141	0.7
141.01929	3.8
143.05020	5.9
145.02930	0.9
145.06572	0.6
149.02415	0.4
151.03972	0.9
153.01930	11.4
154.02377	0.3
155.03488	0.3
159.04503	0.5
163.04022	2.5
165.01930	6.5
165.05566	0.4
165.99101	1.7
166.02690	0.5
166.99841	1.4
167.03497	0.9
171.04500	0.7
177.01918	0.9
179.03470	0.4
179.05586	0.5
181.01422	15.6
182.02197	62.4
183.02962	79.2
184.03323	3.0
186.01666	0.6
193.05109	0.4
194.02190	0.7
195.03018	2.3
207.02957	1.7
207.04845	0.5
209.06184	0.4
210.06845	2.4
211.07625	19.1
212.07997	1.3
219.03018	0.5
221.09605	0.5
223.07573	0.9
225.03993	0.8
235.07639	1.1
237.09172	2.3
247.07701	0.4
249.03978	0.5
250.06308	0.4
261.06165	0.4
265.08694	7.3
266.08957	0.5
285.06219	0.4
309.07782	2.4
310.08102	0.3
327.08752	20.8
328.09192	1.6
345.08224	100.0
346.08536	7.4
369.09659	1.3
429.11789	0.9
443.08142	2.2
447.09393	0.5
485.09409	0.7
489.13214	0.5
492.10388	0.3
493.11404	0.5
507.13422	2.2
508.13422	0.4
515.56104	0.3
605.13544	0.4
611.17377	0.5
637.15509	1.0
655.16583	17.1
656.17206	3.1
697.17847	1.2
757.21136	0.4
775.81207	0.3
817.21582	2.5
818.22327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	54.8
64.08350	0.8
69.03435	1.0
70.99372	0.8
76.31465	0.8
77.03968	1.0
78.95909	1.2
80.96508	2.5
82.51863	0.8
83.01387	2.0
88.98805	1.5
89.38699	0.9
97.02959	1.1
109.02912	1.8
111.00876	2.1
112.09074	0.9
116.92870	3.4
117.92889	1.9
121.02929	1.4
123.00843	0.9
136.98801	1.0
137.02408	5.6
139.00349	1.1
139.03992	1.5
141.01952	3.0
147.36720	0.9
153.01923	10.1
165.01929	6.1
165.99048	2.0
181.01427	11.3
182.02194	78.1
183.02966	65.5
184.03329	2.4
195.02972	1.1
207.03000	1.2
225.00790	0.9
241.01228	1.1
277.21548	2.6
284.87482	1.1
296.50513	0.9
309.06033	1.5
312.02350	1.0
327.07272	2.3
377.06339	1.1
587.28668	6.3
605.29620	100.0
606.29852	13.5
614.28967	1.0
751.33160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
60.99294	2.0
61.98823	1.0
64.95920	0.4
71.01379	3.9
71.39452	0.6
72.50735	0.4
72.99289	0.4
73.02927	1.0
78.95894	1.1
78.98579	0.4
79.95730	1.1
80.02680	1.0
80.96515	5.8
81.03452	1.0
83.01391	0.7
83.05022	3.2
84.02151	0.5
85.02954	1.2
87.00889	1.0
88.00437	0.4
88.98798	9.6
89.02441	3.6
94.98090	1.5
95.04996	0.6
97.90726	0.4
101.02423	3.2
109.06605	0.5
113.02442	2.0
145.05063	0.6
148.99097	0.7
161.04555	1.4
163.11308	2.7
164.98605	1.1
165.12833	2.4
191.10782	0.8
209.11807	100.0
210.12170	5.8
225.00732	1.3
227.12877	12.4
228.13254	1.0
235.08215	6.0
241.01102	0.6
253.09265	8.0
254.09918	0.4
255.23141	1.0
259.15533	0.5
261.94727	0.4
277.21701	94.5
278.22006	8.2
315.95850	0.5
427.19321	0.6
445.20624	2.8
487.19495	0.4
513.30573	1.8
797.40851	0.9
815.50232	5.0
816.50085	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	809.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47410	65.0
61.98840	100.0
62.36234	52.0
70.44660	54.1
71.37372	80.7
71.72634	50.9
84.76641	54.0
85.74664	51.6
110.95486	53.9
115.82328	55.2
193.56561	51.2
264.38943	55.8
279.11545	52.7
395.51816	52.6
794.35364	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01367	9.1
66.89191	0.6
71.01381	11.3
72.99300	0.8
83.01378	1.4
85.02939	2.3
87.00867	1.9
89.02443	8.4
93.03449	8.0
94.78355	0.6
95.01382	1.2
99.00867	1.0
101.02448	3.4
105.90092	0.6
108.02152	1.9
109.02950	3.2
109.76089	0.8
113.02422	4.1
115.00347	5.7
117.03445	7.1
119.03473	2.3
119.05015	43.4
120.05358	1.5
121.02936	1.6
123.04532	1.5
125.02451	5.7
130.04257	0.9
131.05016	1.9
132.02159	2.0
132.05789	1.1
133.02948	22.3
133.06575	3.0
134.03697	1.2
135.03502	1.5
135.04510	24.3
137.02444	1.0
143.03474	1.2
143.05009	4.7
145.02943	27.7
145.06584	1.5
146.03293	1.2
147.04480	2.3
149.06104	2.0
151.04021	1.5
159.04514	3.1
161.02426	61.2
161.04572	1.9
161.05989	5.8
162.02759	1.2
163.03989	25.4
167.03569	0.8
171.04559	0.9
175.02451	2.8
175.03958	6.0
175.07539	0.7
177.05559	3.4
179.03462	18.2
179.05566	6.2
181.66135	0.7
182.02188	6.2
183.02959	6.5
184.03394	0.7
187.04016	7.6
189.05562	1.3
195.04442	1.4
203.03474	30.3
204.03844	1.4
205.05038	2.4
209.06044	0.7
210.06863	4.1
211.07616	52.1
212.07890	3.4
221.04506	1.7
223.07625	18.0
224.08052	1.7
227.07129	13.9
233.04558	0.8
235.07761	1.1
237.09177	13.0
238.09723	0.8
239.07114	1.0
239.10762	4.3
253.08664	2.8
255.10199	6.3
265.08765	8.2
281.08365	3.4
283.09729	17.1
284.09964	1.2
287.05576	1.6
299.09256	0.8
305.06479	1.2
307.08243	1.7
309.07599	2.1
323.07663	9.1
324.08231	0.7
325.09537	5.3
327.08685	100.0
328.09030	9.4
341.08713	18.9
342.09183	2.0
343.08234	5.3
345.08365	6.7
346.08380	1.4
369.09671	5.2
399.10785	1.7
414.34851	0.8
423.09335	2.6
429.11816	6.9
443.17444	0.8
454.74771	0.7
485.12836	0.9
487.12503	9.5
488.12628	1.1
489.13947	8.0
490.13974	1.0
607.18390	3.8
651.17120	35.5
652.17407	7.6
813.22687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
69.03451	0.5
69.43315	2.0
71.01388	0.3
77.03952	0.4
83.01379	1.4
85.02934	0.5
95.05038	0.3
97.02946	0.6
99.00871	0.6
108.48965	0.3
110.00055	0.5
111.00873	1.2
111.04555	0.5
121.02966	0.8
125.02441	0.4
137.02429	3.2
139.00362	1.1
139.03978	0.6
140.01114	0.5
141.01935	2.5
151.00357	0.6
151.03990	0.5
153.01944	2.0
155.03496	0.3
164.01094	0.7
165.01932	4.0
165.99039	1.6
166.99841	0.8
167.03534	0.4
175.04158	0.4
177.01938	0.8
178.99762	0.3
181.01408	3.3
182.02199	60.6
183.02963	62.1
184.03313	2.3
193.05069	0.3
194.02184	0.5
195.02930	1.5
199.04060	0.6
201.01881	0.4
203.03462	0.5
207.02994	0.5
207.04951	0.5
227.03479	0.6
231.02914	0.7
237.04140	0.5
243.02933	0.7
255.02913	0.5
261.05933	0.4
263.41296	0.3
271.02469	8.9
272.02884	0.6
287.01950	0.5
299.01941	12.0
300.02292	1.2
316.02328	1.7
317.02966	0.8
345.08234	100.0
346.08585	8.2
346.12622	0.5
463.08734	6.5
464.09052	0.7
636.29016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.5
66.03471	0.3
70.02978	0.5
70.03970	0.5
70.04380	0.7
71.01376	0.3
72.00932	0.7
74.02472	9.9
76.99662	0.2
81.04553	0.4
82.03001	1.0
83.01370	0.3
83.12386	0.2
84.04585	0.3
85.02940	0.3
85.04068	0.3
86.02478	4.4
86.06133	0.4
86.99100	1.1
87.05639	2.5
90.00189	1.0
95.02530	0.3
96.04585	0.4
96.95990	0.2
97.04089	1.2
98.20624	0.3
99.05638	9.2
100.00449	0.4
101.07231	1.4
102.05614	1.0
106.72102	0.2
107.06147	0.5
109.04086	1.0
109.07730	0.5
110.56805	0.2
111.05672	0.9
112.04046	1.3
113.02491	0.2
113.03589	0.6
116.01733	0.5
121.04099	0.3
123.05663	0.8
124.04026	0.4
125.02619	0.3
125.03546	1.1
126.01962	0.5
127.05155	1.6
128.03542	26.7
129.03903	0.6
131.04630	0.7
135.04549	0.7
135.05653	2.2
137.02467	0.3
137.07159	0.4
141.06708	2.7
143.04622	37.3
144.04941	0.9
145.06174	1.8
146.04605	3.8
148.10997	0.3
149.07164	0.4
153.01978	1.5
153.06693	2.7
155.08243	0.5
160.00740	9.3
166.09863	1.7
167.04619	2.9
167.08273	1.0
170.03297	0.6
171.04059	0.4
177.03404	2.9
179.04642	8.2
180.04941	0.5
181.01425	3.1
181.06213	0.9
182.02081	0.4
183.02962	0.3
184.10960	0.8
185.05701	1.7
192.07849	0.7
197.05650	1.0
198.08852	0.6
199.02481	1.0
210.08836	8.5
211.09229	0.4
213.03372	0.3
228.09692	0.4
242.07811	1.0
254.07814	8.1
255.08235	0.5
272.08856	11.8
288.06586	4.8
306.07642	100.0
307.07922	5.7
308.15747	0.3
342.15063	0.7
404.14963	16.0
405.15207	1.2
494.10388	0.3
537.50787	0.3
649.23102	0.4
652.08685	0.3
687.24768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.14123	0.2
62.76690	0.2
63.79065	0.2
65.00315	0.3
69.03452	0.6
69.23212	1.1
69.23639	0.9
71.01369	0.8
75.00858	0.4
77.03947	0.4
81.03444	0.3
83.01366	1.4
84.13025	0.2
85.02938	1.0
89.02393	0.2
93.03465	0.5
95.01384	0.4
97.02937	0.8
99.00871	1.0
107.01391	0.3
109.02949	0.2
110.00069	0.5
111.00866	1.5
113.02425	0.9
120.99646	0.6
121.02927	0.9
122.33382	0.2
122.99216	0.5
123.00876	0.2
123.04444	0.3
125.02415	0.3
129.01906	0.4
137.02432	3.2
139.00412	1.1
139.04007	1.0
140.01093	0.5
141.01915	2.1
149.02325	0.3
151.03960	0.5
153.01913	2.4
155.03484	0.4
159.96811	0.2
165.01924	4.9
165.99049	1.2
166.99844	0.9
167.03479	0.3
175.02429	0.4
177.01945	0.3
179.03557	0.4
181.01401	3.4
182.02193	65.8
183.02959	64.4
184.03316	2.5
185.05930	0.3
187.04005	0.3
194.02214	0.6
195.02957	1.9
198.51294	0.3
207.02873	0.4
207.04971	0.2
225.04031	0.5
229.05046	0.8
275.57019	0.3
285.04010	7.4
286.04391	1.2
343.12186	0.3
345.08218	100.0
346.08530	7.4
461.07117	2.5
462.07648	0.5
463.07538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.6
61.98832	30.2
64.73208	1.7
69.67625	9.8
71.01367	10.4
78.98581	8.9
79.95734	14.9
80.96516	90.5
85.02952	2.2
87.00883	3.0
88.26031	1.8
90.55917	2.0
94.07549	1.8
94.98087	25.3
96.96006	2.0
101.02417	2.6
106.98055	3.7
117.24019	2.1
122.97563	3.4
125.02398	4.5
125.09739	2.3
134.97549	8.1
148.99100	7.8
152.98581	7.5
164.98639	12.3
194.22594	1.8
201.11333	2.3
209.11765	2.1
211.13368	5.9
222.96700	2.1
225.00714	25.8
253.09131	2.1
273.18570	3.1
277.21725	8.9
291.19662	51.8
292.19910	3.1
483.15384	2.7
761.37854	3.7
805.40405	100.0
806.40979	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	805.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01888	1.7
61.98839	2.6
68.15191	1.7
68.37550	1.7
69.03423	2.5
75.02493	1.6
78.95898	80.0
80.96516	11.5
83.05013	3.4
84.02144	8.7
85.51736	1.8
94.98077	2.7
96.96929	5.0
97.02914	2.3
97.06583	7.0
97.46190	1.8
99.04513	3.2
125.09703	2.2
125.73954	1.7
130.98479	1.9
137.09721	2.1
152.99580	100.0
163.11304	3.0
171.00679	8.9
171.10257	27.1
193.12332	10.3
197.11827	2.0
207.10222	2.4
207.95624	1.8
209.11824	22.3
211.13426	5.5
225.14966	19.0
226.15337	2.1
227.03220	6.9
229.09288	2.0
243.16005	9.7
253.21695	29.3
291.19745	2.4
320.27603	1.9
341.23267	46.3
342.23535	5.3
391.96558	2.1
431.75754	1.7
455.16833	10.0
464.33862	2.2
477.22470	7.5
540.13568	2.1
551.26196	3.7
569.27362	88.0
570.27313	7.8
630.79034	2.2
649.19287	2.3
691.37848	16.1
707.37360	4.6
805.48450	98.3
806.48944	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97877	0.2
57.03439	1.0
59.01379	1.6
61.98830	1.4
68.64984	0.1
69.40026	0.1
71.01369	0.6
71.06397	0.2
78.95907	0.2
79.95714	0.2
80.96525	1.4
83.05027	0.8
93.03458	0.3
94.98067	0.3
95.05027	0.5
96.96025	0.1
97.06582	0.3
99.56741	0.1
101.02438	0.3
109.06590	0.3
111.08155	9.1
111.32806	0.1
112.08481	0.4
113.09715	0.5
121.06565	0.2
123.08139	0.2
130.81822	0.1
134.89468	1.5
135.11815	0.4
137.09741	0.8
141.09245	0.1
148.99138	0.2
149.09714	0.5
153.09225	0.2
155.10724	0.2
157.42020	0.1
164.98540	0.3
167.10786	2.4
169.12376	0.3
177.12857	1.8
179.10776	1.8
181.00427	0.1
193.16081	0.1
195.12096	0.3
195.13885	6.2
196.14240	0.3
203.14450	0.4
215.74373	0.2
219.17395	0.2
221.11890	0.1
225.00745	0.4
247.20659	2.5
253.09305	0.7
273.18594	1.1
277.21701	5.1
278.22104	0.4
291.19641	100.0
292.19974	8.8
805.39929	1.1
806.41296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98829	26.0
63.96224	1.6
71.01380	9.7
73.02946	1.5
73.76928	1.2
78.95898	1.5
78.98579	7.0
79.95739	14.8
80.96514	85.2
81.03455	1.3
85.02932	2.6
87.00876	2.9
94.98090	19.1
97.02943	2.3
98.19785	1.9
101.02425	3.2
106.98067	3.2
107.94753	1.0
122.97565	3.4
125.02418	3.6
127.03975	1.1
134.97591	7.4
136.99124	1.6
148.99127	8.9
152.98598	7.7
164.98642	13.9
201.11284	2.5
206.99612	3.8
209.11777	1.2
225.00745	27.0
259.38177	1.0
279.23221	6.3
386.75360	1.1
483.15707	1.9
559.26178	1.8
761.37927	3.4
805.40436	100.0
806.40936	24.1
817.82886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98524	0.2
69.20046	0.5
69.20470	0.4
69.71998	0.1
79.69839	0.1
79.95769	0.1
80.96507	0.9
94.98111	0.2
98.20703	0.1
133.59125	0.1
138.49817	0.1
144.09871	0.1
163.11372	0.1
164.98587	0.1
210.12256	0.1
225.00790	0.2
283.06180	0.1
334.46140	0.1
804.39160	0.8
805.40143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01369	0.9
65.00316	0.4
65.82867	0.3
69.95522	1.4
81.03458	3.3
83.01379	2.0
90.08959	0.2
95.05022	0.8
98.66629	0.3
99.04525	0.3
107.01402	0.6
123.04522	28.4
124.04830	0.9
125.02436	5.3
149.02414	0.5
151.00349	1.2
167.03488	100.0
168.03804	4.0
188.00896	0.3
191.03529	0.4
209.04514	0.8
292.88995	0.3
433.12845	0.3
475.14563	46.8
476.14963	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	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.6
61.98822	13.8
71.01383	21.6
71.22834	1.7
71.41743	1.6
71.52547	2.0
73.02956	1.7
79.95756	1.6
83.01401	1.7
85.02935	6.2
87.00864	4.3
89.02441	15.1
95.01379	2.3
96.96000	8.1
99.00883	2.1
100.10376	1.9
101.02419	10.5
106.06630	5.1
113.02435	6.2
119.03474	6.5
120.08196	13.0
122.06133	18.5
134.06126	25.7
147.64870	1.8
152.07141	6.4
182.02249	2.4
183.02899	2.9
190.05028	4.4
209.11748	4.4
223.08771	2.6
237.10228	3.8
238.11073	3.2
239.11826	7.0
249.10214	2.8
251.08282	2.8
251.11787	7.1
263.08234	4.5
264.08920	7.8
265.09753	9.2
276.09027	3.0
277.09787	7.0
278.10541	2.6
279.11368	24.8
280.12009	4.3
281.12875	1.9
291.11307	6.0
292.12033	4.3
305.09448	2.9
307.10889	1.7
314.12509	3.5
323.10291	4.7
324.11002	2.9
345.08170	4.2
370.15601	2.9
386.18872	3.1
414.18390	2.7
426.18240	2.9
427.24728	2.0
470.47412	1.9
471.17935	2.8
472.18835	2.8
473.19836	2.2
477.78885	2.1
490.19690	6.2
491.51608	1.9
606.24445	2.2
623.24030	2.3
650.23633	8.5
651.24103	7.1
666.08160	2.2
682.26025	14.4
683.26349	4.1
729.31622	3.0
773.30377	100.0
774.30756	20.6
805.32983	67.9
806.32788	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	803.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
58.00581	0.4
59.01377	10.2
61.98828	7.3
67.85291	0.3
68.99526	0.4
69.03444	0.8
70.69778	0.5
71.01376	9.5
72.99289	0.8
73.02937	1.6
75.00876	0.4
83.01379	1.2
83.05039	0.5
84.02158	0.6
85.02937	2.2
87.00864	2.4
88.98825	0.3
89.02439	8.7
95.01388	0.7
96.96016	1.8
97.02937	1.5
97.06564	0.3
99.00858	0.9
101.02432	6.9
111.04502	0.4
112.98527	0.6
113.02445	4.4
116.56679	0.2
116.92886	0.3
119.03491	2.0
119.04899	0.2
121.02897	0.3
125.02442	2.8
125.09733	0.4
129.01915	0.5
131.03523	0.5
134.89403	0.3
141.01917	0.5
143.03519	1.3
155.10745	0.5
156.48889	0.3
161.04523	2.0
163.11246	0.6
165.12825	0.2
167.14394	0.7
169.12314	0.8
171.10255	2.5
179.03363	0.3
179.05605	2.5
181.12288	0.7
182.02008	0.4
183.03032	0.4
183.13879	7.4
184.14272	0.4
193.12354	2.1
197.11763	0.4
201.11263	0.4
207.10121	0.6
209.11819	3.4
210.11957	0.3
211.13374	100.0
212.13690	6.0
217.07086	0.5
221.06628	0.7
225.11356	1.4
225.14929	0.3
227.12891	0.9
235.08223	2.3
253.09232	1.4
253.14577	0.4
287.07632	0.7
305.08728	0.7
307.18631	0.3
323.09851	0.7
341.23358	1.4
379.12445	4.4
397.13464	21.5
398.13647	1.6
405.26410	0.4
415.14444	4.8
461.20734	0.3
591.26447	5.1
592.26953	0.8
609.27588	6.0
610.28131	0.9
689.35101	0.3
785.39465	1.9
803.43988	1.5
804.44214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20888	0.9
58.82280	0.8
59.01372	1.9
61.98833	7.7
63.96218	2.6
69.03470	1.1
71.01382	9.8
73.02946	2.2
78.95894	2.1
78.98588	6.7
79.95285	1.5
79.95734	20.4
80.96513	100.0
81.03432	1.3
85.02943	3.4
87.00864	4.3
94.98081	23.0
96.96001	0.8
97.02935	2.7
101.02460	2.1
106.98078	4.3
113.02424	1.0
122.97594	4.5
125.02433	4.7
127.04011	1.6
134.97589	6.1
136.99095	1.5
141.09146	0.8
148.99126	6.1
152.98584	6.5
152.99620	1.2
164.98627	15.6
164.99956	0.6
175.02487	1.6
206.99619	3.3
211.13403	2.3
224.98703	1.4
225.00754	20.4
266.78293	1.0
276.15781	1.0
277.21799	1.4
384.16278	0.9
384.67694	0.9
471.61945	0.8
513.30432	1.1
525.20038	1.0
548.59814	0.8
559.25574	1.0
803.42468	97.4
804.42749	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09709	0.1
61.98827	100.0
62.99251	0.1
70.73264	0.2
80.96521	0.3
158.97322	0.1
211.13443	0.4
212.13782	0.2
213.14165	0.1
221.70929	0.1
227.09967	0.1
277.21698	0.3
278.22235	0.2
279.22797	0.1
323.92184	0.1
362.72559	0.1
385.47220	0.1
426.45422	0.1
531.48547	0.1
691.03156	0.1
705.11499	0.1
803.42902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01373	1.1
60.68986	0.3
61.98825	6.5
63.90184	0.3
63.99230	0.3
69.03446	0.9
69.77487	1.0
71.01373	1.7
73.62267	0.2
75.00864	0.5
77.03945	0.4
78.95915	0.3
80.81023	0.3
81.03463	0.6
83.01368	2.5
83.05029	0.6
85.02948	0.7
87.00858	0.5
89.02462	0.4
95.01408	0.4
96.96018	3.1
96.96947	0.4
97.02939	1.1
99.00852	1.3
101.02412	0.6
109.02933	0.4
110.00117	0.4
111.00870	1.5
111.04489	0.4
113.02444	0.3
121.02948	1.4
123.00892	0.3
123.04536	0.5
125.02444	0.8
129.01884	0.4
135.04536	0.3
137.02444	3.5
138.03198	0.7
139.00352	1.2
139.03996	0.9
140.01144	0.6
141.01930	3.9
147.08170	0.3
150.03210	0.5
151.04007	0.5
152.01135	0.4
153.01917	4.4
155.03444	0.5
163.03975	1.2
164.04755	0.5
165.01917	6.0
165.99097	1.2
166.02657	1.4
166.99841	1.0
167.03432	0.8
170.02193	0.4
177.01898	0.6
177.05559	0.6
178.02765	0.5
179.03519	1.9
181.01398	3.2
181.05057	1.3
182.02197	62.2
183.02965	61.5
184.03308	2.1
191.03514	1.6
191.07057	0.4
192.04279	0.7
193.05109	0.7
193.08661	0.3
194.02118	0.6
195.02992	2.0
195.10255	0.7
205.05048	3.7
206.09491	0.8
207.02977	2.6
207.05029	0.8
208.03741	0.4
209.04507	3.7
209.11772	1.4
211.13382	0.7
217.08751	0.6
219.03101	0.5
219.06650	0.7
219.10379	0.3
221.04572	0.3
221.08151	0.6
225.04024	0.2
227.12979	0.4
233.04541	7.6
233.08212	1.0
234.04958	0.5
234.08891	0.9
235.09726	11.4
236.10191	0.7
245.08231	0.3
247.09776	0.3
251.09215	2.6
257.08316	0.4
261.07709	0.7
262.08444	20.2
263.09198	17.1
264.09613	1.5
265.10828	0.6
267.12302	0.8
275.09274	0.7
279.08701	16.8
280.09073	1.0
287.09189	0.3
294.11072	6.7
295.11703	2.7
303.07339	0.5
306.07947	0.3
345.08224	100.0
346.08545	7.2
397.13400	0.4
407.13483	0.3
425.14468	15.7
426.14758	1.3
457.17117	79.1
458.17429	9.1
511.21448	0.3
563.40100	0.3
739.94910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
59.01371	6.7
61.98830	57.5
71.01392	7.5
71.51617	2.9
78.95896	2.2
80.96523	1.7
81.03456	8.7
83.01389	15.3
85.02950	2.0
87.00864	1.5
87.30431	1.4
89.02427	2.5
95.05005	1.4
96.96014	24.2
96.96934	1.7
97.02950	1.8
97.06580	2.7
101.02441	4.1
108.71733	1.2
113.02428	1.8
116.92861	2.5
123.04520	1.7
123.08111	1.5
125.02420	4.6
125.09746	9.5
127.26263	1.2
163.11243	1.4
171.10275	3.1
175.02536	1.8
181.12259	1.8
187.09767	2.0
192.94980	1.3
197.11841	1.8
207.10194	2.4
209.11829	5.7
211.13423	8.3
225.11334	3.0
226.54353	1.3
253.09328	2.0
268.17090	2.8
270.15015	1.6
286.18079	4.4
288.15958	7.5
310.18033	3.0
328.19153	6.4
341.23169	2.9
354.16763	1.4
396.25519	1.8
438.26050	1.5
456.27710	1.8
658.29285	1.5
802.36542	100.0
803.36957	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	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98519	0.2
63.99233	0.3
71.51276	0.3
72.50211	0.2
79.95737	0.2
80.96518	0.6
93.19809	0.2
96.06920	0.2
96.09212	0.2
105.37540	0.2
110.02077	0.2
114.94009	0.2
116.92876	0.5
163.93082	0.2
167.97757	0.2
211.13429	0.5
217.25435	0.2
362.61069	0.2
390.36972	0.2
640.60278	0.2
802.37390	0.4
803.39056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06575	0.1
61.93757	0.1
61.98826	100.0
62.98540	0.2
70.74306	0.2
79.73267	0.1
79.81363	0.1
79.95734	0.1
80.96523	0.7
94.98087	0.1
96.96001	0.1
97.87423	0.1
152.99588	0.2
171.10284	0.2
181.83562	0.1
209.11888	0.1
225.00797	0.2
225.11372	0.2
247.04420	0.1
277.21851	0.3
291.61450	0.1
329.25098	0.1
347.97888	0.1
434.78354	0.1
466.40787	0.1
706.78711	0.1
785.38757	0.1
803.38550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
58.00565	0.7
59.01163	0.5
59.01384	6.4
59.66045	0.7
59.82882	0.7
61.98827	13.8
66.57125	0.7
69.03405	0.7
71.01377	6.0
72.99290	1.0
73.02935	1.4
76.81583	0.7
76.98784	0.6
78.95903	0.8
80.05047	0.6
80.96471	0.8
81.03455	10.1
83.01383	18.7
85.02959	1.6
87.00867	1.5
89.02431	1.8
94.94585	0.6
95.01337	0.8
95.05000	0.8
96.96001	5.1
97.06586	4.1
98.19950	1.8
99.04408	0.7
101.02428	3.3
113.02431	2.5
119.03593	0.7
123.04485	0.8
123.08170	1.8
125.02442	7.0
125.09716	15.8
126.20528	0.7
151.00377	1.0
158.06281	0.8
166.02647	2.0
171.10269	0.7
181.01373	1.1
181.12350	0.7
185.11761	0.8
187.09694	3.2
194.12582	0.6
209.11821	1.5
211.13373	3.9
230.15465	1.9
234.28961	0.7
242.15443	0.8
242.19232	0.8
244.17062	1.5
245.04550	0.7
250.15837	0.7
253.09186	0.8
268.17081	5.2
269.17377	0.9
270.14944	2.3
284.20535	1.0
286.18118	4.2
288.16080	8.1
306.07758	0.9
310.17990	2.8
328.19220	5.5
334.18259	1.0
341.23395	0.7
352.19119	1.6
382.23743	0.7
396.25601	1.4
397.13177	0.9
438.26550	1.6
456.27454	2.6
462.26184	0.8
480.27228	1.0
522.29095	1.0
676.33545	1.1
703.83942	0.7
743.35480	0.8
760.35510	2.6
802.36487	100.0
803.36865	25.4
827.04425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97338	1.0
59.01373	6.9
61.98829	100.0
66.71074	0.8
67.21466	1.0
71.01379	3.9
71.53112	1.1
73.02943	1.6
80.96519	1.9
81.03465	1.1
83.05022	2.3
85.02948	1.7
89.02430	2.4
101.02443	3.8
112.55914	0.9
112.98814	1.1
113.02436	2.3
114.95647	1.2
125.09743	1.1
161.04539	2.6
163.11285	1.5
183.94958	1.1
201.11316	34.2
202.11655	1.4
209.11812	73.2
210.12140	4.1
227.12917	8.4
235.08212	6.8
239.02567	1.0
253.09218	10.9
277.21707	86.6
278.22092	9.7
437.20029	3.0
445.20374	2.7
461.32819	1.3
513.30811	1.4
533.10529	1.0
538.72937	1.0
652.81775	1.1
738.15741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
57.43803	1.9
59.01377	65.3
59.51368	2.1
61.98832	67.3
65.03944	2.6
67.22733	2.2
69.03445	6.8
70.66216	5.7
71.01382	59.1
72.99301	6.2
73.02951	10.4
75.00875	4.6
78.95922	3.8
80.96517	2.9
81.03455	3.6
83.01395	8.4
83.05033	9.2
85.02949	13.4
87.00882	14.2
89.02439	39.2
95.01370	4.0
96.96001	28.1
97.02950	7.5
97.06572	5.0
99.00871	4.0
101.02435	34.2
101.32753	2.4
109.03016	3.2
109.06576	2.9
111.08174	4.8
113.02435	21.3
115.00349	4.7
116.92827	2.4
119.03500	9.5
123.08170	4.5
125.02471	11.9
125.09695	19.9
131.03535	2.3
137.09689	2.5
141.01921	2.3
143.03526	3.2
145.06273	3.3
146.04607	2.3
161.04546	6.2
163.11247	2.7
171.10269	49.1
175.02492	4.4
179.05566	10.4
181.01405	3.9
182.02213	2.8
183.02969	3.7
185.11894	2.4
187.09746	2.2
187.14932	3.9
205.15971	7.1
209.11824	21.2
211.13403	21.2
213.77539	2.4
215.14500	10.4
221.06694	10.0
221.15469	4.0
230.72649	2.1
231.13922	4.5
233.15454	58.6
234.15773	5.2
235.08205	4.5
235.13576	3.7
249.14928	27.5
251.16432	2.9
253.09407	5.0
306.07520	2.8
323.23627	3.1
331.26532	2.7
341.25009	5.0
345.08432	4.9
359.26227	3.2
367.22748	4.3
375.25345	6.1
379.12485	6.3
385.23682	19.1
386.24127	2.3
397.13483	21.7
403.24786	39.7
404.24951	4.1
415.14874	4.7
421.25797	18.3
629.28223	4.9
647.28796	2.8
676.36780	2.7
722.80902	2.7
773.39172	4.1
783.37976	100.0
784.38330	28.0
801.39215	95.6
802.39227	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	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98537	0.2
65.30620	0.1
71.01363	0.1
75.00851	0.1
87.73495	0.1
88.98821	0.3
96.06540	0.1
96.96029	0.2
98.19855	0.2
117.96697	0.1
128.03540	0.1
158.30135	0.1
162.40880	0.1
171.10353	0.2
172.03386	0.1
175.02477	0.2
182.02264	0.2
202.71400	0.1
209.11826	0.2
254.26964	0.1
306.07736	0.2
306.15561	0.1
345.08469	0.1
446.02594	0.1
469.64313	0.1
800.36548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.5
59.01375	1.6
63.65175	0.3
67.01891	0.5
69.03452	0.9
71.01375	1.6
71.52673	0.4
72.99286	0.3
73.02919	0.3
73.16883	0.3
75.00862	0.5
77.03951	0.5
77.27083	0.3
81.03474	0.5
83.01360	2.0
85.02959	0.8
85.68502	0.3
87.00871	0.6
88.19975	0.3
89.02430	0.7
93.03475	0.6
95.01390	0.5
95.05000	0.4
97.02960	1.1
99.00876	1.0
101.02431	0.9
109.02950	1.5
110.00085	0.5
111.00873	3.6
113.02412	1.1
115.00378	0.5
117.78133	0.3
118.06664	0.7
121.02946	1.2
123.00858	1.7
123.04479	0.4
125.02443	2.0
128.05029	1.3
129.73180	0.3
130.40591	0.3
131.03773	1.0
135.04510	0.6
137.02440	4.7
139.00354	2.2
139.04008	0.6
140.01111	0.6
141.01936	4.5
144.04543	5.7
146.06133	2.6
151.00339	0.9
151.03976	1.2
153.01923	4.3
155.03505	0.7
157.05142	0.3
161.04523	0.4
163.04001	0.5
164.01099	0.4
165.01921	6.0
165.58797	0.3
165.99080	1.4
166.02641	1.0
166.99896	0.8
167.03499	1.8
169.01382	0.8
172.04013	0.8
175.02464	1.1
175.03897	0.5
177.01917	0.7
177.05510	1.0
179.03571	0.4
180.99969	0.4
181.01416	4.5
181.05054	0.7
182.02193	63.7
183.02962	57.3
184.03334	2.4
186.01672	0.5
190.05093	3.3
191.03508	1.3
193.01427	1.0
194.02159	0.6
195.02960	2.1
199.69350	0.3
208.03754	1.9
209.04570	4.1
219.02859	0.5
225.04021	0.9
249.08722	1.5
303.07266	2.0
319.08188	0.6
329.08603	0.5
369.10440	0.4
371.09772	5.6
402.16528	0.3
423.11514	0.4
465.12299	0.7
481.13596	3.6
482.71851	0.4
489.12607	0.4
507.13489	100.0
508.13828	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	797.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.5
68.62177	1.6
70.65790	4.9
71.01361	6.8
78.95895	2.9
78.98578	4.9
79.95733	11.8
80.96513	71.9
85.02939	2.3
87.00892	1.8
94.98088	15.5
106.98091	2.2
122.97621	2.7
127.92649	1.8
134.97559	4.9
148.99120	5.0
152.98570	5.1
153.57205	1.6
164.98615	12.2
175.47440	1.5
206.99689	3.1
209.11629	2.0
211.13411	1.9
225.00734	17.7
541.19788	3.2
797.43475	100.0
798.43854	24.2
801.08350	1.9
824.90833	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	799.3753
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03429	1.1
58.05589	1.2
59.01376	25.0
61.98829	48.6
65.03958	2.1
69.03462	2.4
71.01377	25.3
71.65709	1.1
72.00252	1.0
72.99296	4.3
73.02927	3.6
75.00882	1.4
76.93592	1.1
81.03445	2.3
83.01365	3.3
83.05006	1.5
85.02941	5.2
87.00879	4.2
88.98795	4.8
89.02446	15.7
91.05531	2.5
95.01362	1.6
95.05038	2.1
97.02940	3.2
97.06566	3.4
98.19887	3.1
99.00876	2.1
101.02435	10.3
105.07082	1.9
109.06564	1.7
111.04488	1.3
113.02451	7.5
115.05518	2.0
119.03452	2.9
125.02435	3.8
125.09707	11.7
130.48508	1.2
161.04544	2.4
163.11351	1.8
171.10129	1.4
178.46774	1.1
179.05547	2.3
183.02811	1.3
185.11780	2.5
187.09631	1.6
187.14899	5.4
209.11801	9.5
210.12157	1.4
211.13297	3.5
213.12787	3.4
215.01701	1.3
221.06636	4.7
225.11333	2.2
231.13840	17.7
235.08189	1.7
249.14951	3.5
261.14822	1.4
365.21045	1.6
383.22296	9.0
391.24786	1.9
397.13571	3.3
397.55566	1.2
401.23242	12.8
402.23422	2.4
419.24399	3.3
516.47217	1.3
771.37756	1.9
781.36438	100.0
782.36987	19.9
799.37421	24.1
800.37598	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	799.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.2
59.01379	16.6
60.01713	0.3
61.98824	0.5
69.03437	0.4
71.01385	2.4
73.02941	0.6
79.95734	0.4
80.96510	1.1
83.01433	0.2
83.05025	0.3
85.02953	0.6
87.00897	0.4
89.02458	1.8
101.02448	2.2
113.02455	1.2
119.03458	0.4
123.60370	0.2
143.03442	0.5
145.05080	0.3
161.04526	1.0
165.12796	0.2
167.14407	0.8
183.13905	5.8
193.12323	1.8
211.13382	100.0
212.11696	0.3
212.13733	5.6
229.21092	0.3
233.22720	0.3
235.08240	2.7
253.09276	6.4
259.20538	0.4
277.21707	71.1
278.22067	6.0
343.00159	0.3
376.42926	0.3
429.21329	1.6
447.22369	8.1
448.22690	1.0
513.30548	1.7
561.55499	0.3
707.43604	1.2
709.38336	1.0
799.41370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.9
69.33189	1.9
69.33604	2.8
71.01378	16.3
72.99319	1.0
75.96742	0.6
83.01378	1.6
85.02951	2.7
87.00867	0.6
89.02441	15.5
93.03454	14.2
95.01390	1.0
96.95966	1.2
96.99332	1.3
97.81691	0.6
99.00883	0.8
101.02435	5.6
107.12395	0.6
108.02133	0.7
113.02437	7.5
115.00384	4.6
117.03458	22.8
118.03791	1.1
119.03530	3.9
119.05021	49.9
120.05379	1.7
121.02959	1.2
123.04517	1.8
125.02457	1.3
130.04245	1.8
131.05037	3.9
132.05835	0.7
133.02960	2.2
133.06577	3.2
135.04521	3.2
143.03510	2.2
143.05016	10.4
145.02948	100.0
146.03261	3.1
149.04482	0.6
157.01497	0.6
158.03746	2.3
159.04532	9.2
161.02432	0.8
161.04538	3.9
161.06076	5.5
163.03999	46.6
164.04337	1.7
171.04480	1.7
173.06047	1.0
177.05531	1.4
179.03578	3.2
179.05608	10.8
181.27022	0.6
182.02223	2.3
183.03006	1.7
187.03995	53.5
188.04292	2.8
191.03484	0.7
196.35046	0.6
203.03563	0.7
205.05069	3.7
209.06012	0.8
210.06862	6.7
211.07623	100.0
212.07930	6.8
217.05046	1.1
222.07010	0.7
223.07658	8.3
229.05058	1.5
235.07675	2.2
237.09180	9.1
238.09776	1.3
239.10623	1.5
253.08653	1.5
265.08804	15.0
266.09174	1.0
283.09644	5.8
289.07196	1.0
307.08188	28.6
308.08658	2.1
309.07639	6.1
312.63190	0.6
325.09192	20.8
326.09610	1.4
327.08701	85.6
328.09003	6.4
345.08319	3.1
369.09732	4.9
399.10873	2.1
423.09180	2.1
429.11798	5.7
471.12888	16.5
472.13425	1.4
489.14047	6.0
503.11884	1.9
591.18945	4.5
635.17554	7.9
636.17487	1.4
677.19244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01376	0.5
65.00338	0.5
69.40137	2.0
79.05534	0.5
81.03457	4.7
83.01382	5.7
95.05012	1.7
97.02955	1.5
99.04502	0.8
103.40582	0.3
105.03437	0.4
107.01385	0.5
107.05032	0.5
109.02953	5.0
121.02950	1.0
123.04522	27.5
124.04848	0.8
125.02435	5.6
134.03696	0.8
135.04521	31.5
136.04814	1.2
137.02425	0.8
137.06084	1.8
139.04002	0.9
149.02440	0.7
149.06033	2.0
151.00375	2.5
151.03976	1.1
155.54700	0.3
159.04463	1.8
161.02422	1.4
163.00339	0.7
165.02071	0.4
167.03488	100.0
168.03812	4.3
173.06105	0.4
175.03929	0.4
175.07658	2.4
177.05592	2.2
178.99861	1.1
179.03485	3.2
180.04022	0.5
181.05099	2.6
182.02222	1.3
182.03656	0.3
183.02991	1.8
184.02869	0.4
193.05049	14.0
193.06822	0.7
194.05392	1.0
199.07529	0.4
201.05545	1.0
217.08717	1.6
219.02995	0.5
219.06589	0.9
225.04041	0.7
227.03391	0.5
227.40392	0.4
243.02922	1.1
245.04514	0.5
255.02982	3.2
259.09662	0.4
261.07654	2.7
271.02463	5.7
272.02927	0.7
300.02756	11.0
301.03503	8.5
302.03854	0.9
303.08777	1.6
345.08267	1.7
346.08664	1.2
347.07703	64.8
348.08026	7.3
391.12625	0.4
447.09256	16.8
448.09671	2.1
505.72800	0.4
678.48077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
63.02406	0.6
63.51077	0.6
65.00327	1.0
69.34109	4.6
80.49660	0.6
81.03459	1.8
83.01377	4.5
90.45629	0.6
93.03446	0.8
95.05016	5.0
97.02945	5.5
99.00874	1.0
107.01388	3.0
108.02172	0.9
109.02945	6.5
121.02943	4.2
122.03728	1.2
123.04525	11.7
125.02431	4.4
135.04527	9.6
136.01628	0.6
137.02466	3.7
137.06053	5.4
139.04010	3.1
149.02364	0.9
149.06036	1.3
151.00374	9.3
151.04015	1.0
152.00575	0.7
152.97638	0.6
156.21031	0.6
159.04488	1.9
161.02455	0.8
163.00363	2.7
163.03912	0.9
165.01920	1.5
167.03490	26.0
168.03824	0.9
173.06085	0.9
174.06590	0.8
175.04034	0.6
175.07634	5.7
177.01941	0.9
177.05547	6.4
177.44522	0.6
178.99817	3.9
179.03410	3.0
180.04295	1.3
181.05055	8.2
182.02245	5.7
183.02966	6.6
184.03236	2.0
193.05045	3.5
193.08867	0.7
195.02780	0.8
199.07576	0.9
201.05521	1.4
204.97624	0.7
207.02966	0.6
211.03931	1.3
215.03586	0.7
216.07968	0.9
217.08621	4.6
219.06609	2.4
225.03976	1.6
227.03429	1.6
241.08647	0.9
243.02937	4.6
245.04489	1.2
255.02968	13.3
259.09625	1.5
261.07660	10.2
262.08002	0.7
271.02454	24.8
272.02933	2.3
273.04071	0.9
283.02386	1.7
300.02725	51.7
301.03473	42.2
302.03775	2.6
303.08759	5.4
306.91623	0.6
345.08170	6.5
346.08560	2.1
347.07712	68.9
348.08142	6.6
398.17407	0.8
447.09280	100.0
448.09583	11.0
625.09564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56227	1.5
59.01363	6.0
60.51135	1.3
60.99303	3.0
61.98827	19.1
65.69466	1.4
68.99792	3.0
71.01380	4.5
71.17605	1.3
71.52567	1.3
78.95873	1.4
85.02950	1.5
87.00861	3.1
88.00390	1.8
88.98813	22.7
89.02438	2.8
96.95988	1.6
99.00874	4.3
105.01908	5.5
112.64774	1.3
116.92889	2.3
124.00394	2.8
125.02405	2.4
125.09690	3.3
171.58521	1.5
182.02248	2.1
183.03014	1.5
184.69443	1.4
201.11348	2.0
202.11673	1.5
209.11803	3.5
211.13429	1.7
216.06380	1.9
217.07413	4.1
230.08182	4.7
230.15483	4.6
253.09235	1.6
288.16119	2.4
328.15564	1.7
358.49243	1.5
409.61957	1.5
409.83615	1.5
498.24814	2.3
516.25763	4.5
572.28809	3.8
638.97931	1.5
731.34338	1.6
734.33649	18.9
735.34308	3.1
794.36035	100.0
795.36414	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	794.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
59.10437	1.4
61.98829	20.0
68.99798	2.9
71.01369	4.7
71.52293	2.1
87.00863	4.0
88.98802	6.7
89.02413	1.7
99.00890	2.8
105.01867	1.5
116.92872	7.6
117.92888	2.1
124.00408	4.9
125.02390	1.6
125.09702	5.0
132.94908	1.7
134.61023	1.5
171.10277	2.7
175.02380	1.8
182.02246	2.7
183.02939	1.9
201.11345	2.5
216.06693	1.7
217.07430	4.6
227.49393	1.4
230.08165	5.2
230.15469	3.6
288.15933	2.5
297.23755	1.8
345.08414	2.2
346.16605	1.7
498.25034	4.5
516.25964	6.4
572.28363	4.2
676.32318	2.2
734.21777	2.3
734.33850	16.7
735.34601	3.4
794.36023	100.0
795.36023	26.6
800.01611	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	795.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.86423	0.4
59.01381	1.8
60.05242	0.4
65.00330	0.9
69.03461	1.0
70.71522	0.7
70.71877	1.1
71.01373	1.3
72.26320	0.5
75.00896	0.5
77.03922	0.7
81.51080	0.5
83.01366	3.4
85.02944	1.2
89.03961	1.9
93.03455	0.7
95.01411	0.8
97.02969	1.6
99.00867	1.7
101.02417	0.8
107.01420	0.6
109.02950	6.8
110.00119	0.7
111.00852	2.9
111.04479	0.6
117.03469	0.5
119.05038	0.6
121.02943	1.5
123.00880	0.8
123.04539	1.2
125.02461	2.8
133.02945	6.7
137.02428	5.8
137.09717	0.7
138.03221	1.0
139.00365	1.8
139.03992	1.4
140.01093	0.7
141.01930	6.7
145.02979	0.7
149.02420	0.9
150.03171	0.9
151.00403	0.9
151.03967	2.8
152.99783	0.4
153.01923	8.3
155.03462	0.8
155.10753	5.2
161.02437	9.4
162.03165	0.6
163.03964	0.7
164.01051	0.5
165.01912	9.1
165.99063	1.5
166.02562	0.9
166.99765	1.0
167.03430	2.5
171.10271	1.2
174.13202	0.5
175.03943	0.6
176.01131	1.3
177.01913	55.0
178.02286	2.2
181.01411	9.8
182.02191	74.3
183.02959	70.8
184.03279	2.9
189.01907	5.7
193.01378	1.7
193.05008	0.6
194.02185	1.5
195.02908	3.2
199.09760	2.2
201.01952	1.2
203.03441	1.1
203.12924	0.9
205.01454	0.6
207.02832	0.6
207.05019	0.5
215.03362	0.6
216.00650	2.2
217.01485	3.1
217.05026	1.2
217.10799	5.5
219.03059	0.6
221.00914	1.6
222.01582	0.9
223.02402	1.2
227.03436	0.7
229.01373	7.3
230.01721	0.5
234.01636	1.0
235.02411	0.9
242.02126	0.9
243.02885	1.2
245.04462	3.1
255.02931	0.8
259.11823	7.2
261.06204	0.6
269.04755	0.7
279.12473	0.9
283.05820	0.7
285.04037	1.5
286.01239	0.8
286.04294	0.5
287.02524	0.8
287.05539	5.3
293.04565	0.6
295.06012	0.8
297.03952	0.8
299.05569	0.6
303.07153	1.3
309.03918	1.1
321.03976	3.8
322.04492	0.6
325.03546	0.6
329.06448	1.1
339.05057	25.6
340.05414	2.2
345.08224	100.0
346.08545	6.4
352.02228	1.3
353.02863	1.6
449.08636	17.1
450.08926	2.8
462.06070	1.1
463.06659	1.9
481.07394	1.1
491.11981	4.5
507.11493	2.9
508.11456	0.8
559.10822	2.3
560.58276	0.6
625.11987	1.5
633.11823	0.9
643.12982	15.8
644.13129	2.2
646.70532	0.5
795.17627	19.4
796.18237	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	794.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
61.98814	17.8
69.03467	2.7
69.39310	4.8
69.39706	16.9
71.01366	12.1
74.02465	3.3
74.55887	2.1
75.00860	8.9
83.01382	7.1
87.00862	12.8
88.98802	11.6
89.02451	4.2
97.02944	2.5
99.00869	4.9
102.05634	2.7
103.78168	2.0
104.03522	13.4
109.02903	4.7
111.00898	5.1
113.02453	3.1
115.00372	23.7
115.76614	2.4
116.92835	2.5
123.04533	4.0
125.02402	4.6
137.02411	7.9
139.00394	2.9
141.01898	7.3
153.01909	6.7
165.01865	10.9
167.03542	2.6
171.10252	26.0
172.10545	8.9
175.02466	38.8
176.02760	5.0
177.01817	2.2
181.01367	7.4
182.02206	90.6
183.02977	100.0
184.03250	5.3
185.11893	2.3
195.02885	3.2
197.11752	4.7
201.11324	3.8
207.02953	2.9
209.11833	5.7
211.13145	3.5
213.05435	2.6
274.76550	2.5
326.79388	2.2
340.20688	2.2
341.19089	2.4
345.07974	5.7
368.99295	3.0
397.13431	2.5
555.20874	15.1
583.09076	2.5
611.19702	16.0
613.21295	54.1
614.21619	7.0
653.21265	4.0
656.74365	2.6
671.21808	24.9
676.32404	9.8
722.74780	2.8
731.23993	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	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02036	0.2
59.01360	0.4
61.98828	1.4
68.99551	0.4
71.01369	0.3
72.99264	0.2
73.02941	12.7
75.00874	0.4
80.96498	0.4
86.07403	0.2
89.02425	0.2
98.20678	0.3
99.00877	2.2
99.92580	11.1
100.92592	0.7
112.98571	0.3
114.93457	0.4
116.03524	0.3
116.92860	100.0
116.97250	0.7
117.01936	20.9
117.92869	4.5
118.02292	0.3
152.48610	0.2
154.99921	0.2
215.91898	0.1
216.12871	0.2
229.08897	0.2
277.22031	0.2
349.00833	0.2
389.23715	0.2
793.39209	0.3
793.52606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98830	1.0
68.86195	0.2
71.01403	0.1
73.02943	9.0
75.00848	0.2
79.71136	0.2
80.96480	0.2
98.19880	0.4
99.00881	1.6
99.92581	11.6
100.92591	0.4
114.93363	0.4
116.03566	0.2
116.92857	100.0
116.97253	1.6
117.01934	15.5
117.05573	0.2
117.92860	5.0
278.27048	0.2
397.13806	0.2
643.43170	0.1
794.52313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73016	5.5
59.01375	7.9
61.98829	100.0
65.64378	5.2
65.69585	5.5
78.95901	61.6
80.96503	21.0
115.00402	8.8
151.01433	6.7
152.99609	43.9
174.33336	5.9
175.02495	19.5
189.59825	6.2
199.77689	6.4
209.11813	51.7
227.12796	11.6
277.21637	53.8
315.54697	6.8
332.32205	7.4
381.13135	9.3
512.96777	8.6
615.32642	13.5
791.42328	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21184	0.9
66.03493	0.8
67.55682	0.8
71.06915	1.5
79.71967	0.9
83.01404	1.8
85.02963	0.8
99.00874	0.9
99.53322	0.9
103.33289	0.8
109.02921	1.2
111.00890	1.4
112.91661	0.8
113.27991	0.9
115.11239	0.9
121.02935	0.9
125.02415	1.3
137.02461	2.5
139.00316	1.0
141.01929	2.2
150.76633	0.9
151.00392	1.7
153.01933	1.1
159.24669	0.9
165.01901	3.9
166.99788	1.4
181.01424	3.9
182.02196	64.3
183.02968	67.3
184.03275	3.2
191.64180	0.9
195.02945	2.5
243.03116	1.1
255.02895	1.9
271.02499	3.7
272.02988	1.0
285.03986	0.9
300.02747	6.3
301.03433	4.4
301.07178	3.6
301.16422	0.9
302.03833	1.4
345.08237	100.0
346.08627	7.2
447.09186	10.4
448.09506	1.3
616.63617	1.1
671.86804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30931	0.3
59.01377	3.7
62.72910	0.4
62.96961	0.3
71.01388	2.1
71.51450	0.5
74.39374	0.4
78.95960	0.3
83.01379	0.4
85.02966	0.5
87.25317	0.3
89.02435	2.1
101.02431	1.3
109.02955	1.1
113.02431	1.0
119.03475	0.5
123.04502	0.5
125.02455	1.2
132.02133	0.6
133.02950	22.2
134.03253	0.6
135.04510	9.1
137.02434	0.8
149.02472	0.5
149.06049	0.7
151.03937	0.4
153.01918	1.3
161.02431	100.0
162.02760	5.0
165.01935	0.6
175.04071	0.6
177.01920	2.6
177.05511	1.7
178.02335	0.6
179.03494	19.6
180.03905	0.7
180.62282	0.3
195.06654	0.4
197.00861	0.4
203.03481	2.5
203.07129	0.5
205.04991	0.6
221.04533	0.9
245.08163	1.2
251.05515	1.0
281.06619	1.3
289.07175	9.0
290.07437	0.7
296.03912	0.3
341.08731	58.1
342.09067	4.4
387.89694	0.4
411.11270	0.3
435.28259	0.3
451.12402	1.4
522.27271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	4.4
65.99178	0.7
71.52791	1.1
74.02469	20.0
78.21555	0.7
82.02972	1.6
83.01384	1.3
84.44990	0.8
86.02482	4.6
87.05640	5.1
97.04071	1.8
98.06084	0.8
99.05632	12.0
101.07207	2.4
102.05583	1.3
109.02962	0.8
109.04060	2.0
111.05638	1.7
112.04063	1.4
113.03571	2.9
125.02455	1.0
125.03554	2.4
126.04362	0.7
127.05141	2.1
128.02586	1.1
128.03540	22.8
129.03888	0.8
131.04639	1.1
132.08524	1.5
135.05644	2.7
136.98759	0.7
137.02382	1.1
137.07216	1.1
137.28355	0.7
141.01962	0.8
141.06706	2.1
143.04616	35.1
145.06174	2.2
146.04581	3.9
150.12910	0.9
153.01927	2.5
153.06706	4.0
160.00735	6.9
166.09784	1.7
167.04596	1.9
167.08238	1.6
170.03410	1.3
171.04076	0.9
177.01912	0.9
177.03403	1.7
179.04596	9.5
181.01447	3.2
182.11969	0.8
192.07701	1.3
197.05727	1.3
209.54579	0.8
210.08817	7.4
254.07806	9.2
264.17285	0.7
272.08865	13.5
273.09174	0.9
288.06607	5.2
306.07626	100.0
307.07877	5.4
308.16107	6.3
342.14899	27.9
342.19040	1.7
343.15286	2.1
345.08353	0.9
351.91977	0.8
376.13638	1.0
386.13858	2.5
404.15039	1.7
407.07584	0.8
484.20868	1.2
507.75992	1.0
615.24280	1.8
631.22498	1.3
649.23334	15.9
650.23718	1.9
685.29779	1.0
747.30792	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	791.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01382	0.5
71.01383	0.3
71.51923	0.3
73.95156	0.3
74.02469	0.8
81.03462	4.1
83.01376	2.6
93.03432	0.4
95.05044	0.7
99.05666	0.4
107.01373	0.7
123.04521	30.9
124.04842	0.9
125.02441	10.6
126.02816	0.3
128.03506	0.8
137.02429	0.7
143.04626	0.9
149.02451	1.4
151.00339	1.3
153.02065	0.3
160.00681	0.3
161.02489	0.6
163.03973	0.6
167.03485	100.0
168.03818	4.0
172.68648	0.2
191.03517	1.6
209.04611	0.6
210.08894	0.4
232.94569	0.2
249.25026	0.2
272.08771	0.3
287.05585	0.9
288.06229	0.3
306.07614	2.7
342.15042	0.6
461.12976	55.0
462.07413	0.5
462.13333	5.5
615.26373	0.2
649.23541	0.4
651.01166	0.3
676.13824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98529	0.2
63.16932	0.1
71.01387	0.1
78.95932	0.2
79.64121	0.1
79.95728	0.1
80.96511	0.7
94.98108	0.1
111.11483	0.1
127.16284	0.1
138.68916	0.1
139.89398	0.1
164.98631	0.1
225.00781	0.2
277.21844	0.2
279.23071	0.2
318.13516	0.1
484.52359	0.1
788.39899	0.3
789.40210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23118	0.3
59.01374	1.5
61.98829	3.4
67.01878	0.4
68.99810	0.5
69.03440	1.0
71.01366	1.1
73.02940	0.4
75.00863	0.7
77.03973	0.5
81.03457	0.6
83.01376	3.3
85.02959	1.1
88.98804	0.6
93.03442	0.8
95.01389	0.6
95.05029	0.4
96.96008	1.3
97.02940	0.9
98.19891	1.2
99.00873	1.3
109.02927	0.8
110.00097	0.6
110.00854	0.4
111.00866	1.7
113.02472	0.6
115.00327	0.6
116.39479	0.3
116.92827	0.8
121.02956	1.0
123.00894	0.5
123.04501	1.4
125.02458	1.4
127.03990	0.4
129.01939	0.4
129.04245	0.3
137.02438	10.2
138.03178	0.8
139.00357	1.1
139.03987	2.3
140.01118	0.5
141.01947	3.7
149.02335	0.4
150.03163	0.6
151.00362	0.4
151.03973	1.4
152.04765	4.2
153.01904	3.0
155.03442	0.6
157.37355	0.3
163.03990	2.0
165.00542	0.6
165.01917	10.8
165.05580	1.0
165.99059	1.4
166.02644	1.3
166.99890	0.7
167.03493	10.3
168.03891	0.6
170.02159	0.6
177.01930	0.8
179.03482	2.9
180.04283	1.8
180.05608	0.4
181.01451	4.4
181.05051	13.1
182.02194	68.2
183.02962	67.2
184.03587	4.6
191.03482	1.0
193.04997	1.1
194.00600	0.4
194.02191	1.2
195.02960	14.6
196.03267	0.4
203.03407	0.6
205.05022	1.4
207.02962	2.5
207.05098	1.2
208.03748	31.0
209.04512	26.0
209.06624	0.5
210.04974	1.0
221.02626	0.4
221.04532	1.5
225.03960	0.6
233.04549	3.0
235.09814	2.0
237.04088	0.5
253.10944	0.5
261.80676	0.4
262.08447	5.5
263.09113	3.1
280.09512	8.0
281.10153	1.3
303.07019	0.5
345.08224	99.2
345.75519	0.3
346.08585	6.4
353.08725	0.5
357.08447	1.7
371.09781	26.7
372.10172	2.1
425.14450	3.8
426.14658	0.4
443.15527	100.0
444.15912	9.5
789.17719	0.4
821.85876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01357	0.4
63.02377	0.5
64.95174	0.4
65.00345	1.8
67.01889	1.1
68.99818	1.5
69.40256	0.9
69.40657	2.5
71.01386	0.8
71.10498	0.4
79.01903	0.8
81.03453	1.2
83.01385	7.1
93.03465	1.1
95.01378	0.9
95.05016	0.4
97.02959	0.8
105.03446	1.4
107.01379	2.6
108.02204	0.8
109.02957	3.7
111.00876	0.7
121.02972	2.1
122.03732	1.6
123.00881	12.7
123.04523	32.6
124.01643	0.4
124.04813	1.5
125.02442	41.7
126.02800	1.3
133.02939	1.9
134.03735	0.4
135.04478	0.5
137.02455	2.2
139.00352	3.2
139.03975	0.9
141.01938	0.8
149.02403	3.0
150.03239	4.5
151.00375	23.8
151.03999	100.0
152.00761	0.6
152.04340	4.3
153.01926	96.0
154.02229	3.8
161.02431	4.4
162.03061	0.4
162.91519	0.4
164.01138	0.9
165.01907	1.1
166.99829	0.8
167.03493	2.5
168.00603	0.4
169.01413	21.8
170.01744	0.8
177.01921	2.0
179.03514	1.3
183.02951	1.9
197.00941	0.7
201.05565	0.6
241.05013	0.5
257.04608	2.8
258.04922	0.5
269.04477	0.4
275.05591	2.2
287.05603	6.3
288.05884	0.7
303.05072	71.8
304.05414	5.7
305.06638	1.7
325.63129	0.4
331.04639	0.6
439.06717	0.9
457.07736	73.8
457.12903	3.0
458.08102	9.3
461.12866	0.5
540.74915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14447	0.1
61.98827	100.0
62.98533	0.2
71.01398	0.1
74.93129	0.1
78.95944	0.1
78.98600	0.1
79.95747	0.2
80.96519	0.9
82.10832	0.1
93.27662	0.1
94.98098	0.3
101.08229	0.1
152.98705	0.1
161.16934	0.1
164.98637	0.1
185.11797	0.1
211.13441	0.1
225.00737	0.2
277.22025	0.1
278.22165	0.1
279.23367	0.2
299.29950	0.1
443.53842	0.1
638.53735	0.1
788.39087	0.4
789.40338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98135	0.1
61.98828	100.0
62.98526	0.2
62.99266	0.1
65.75854	0.1
70.71810	0.1
70.72130	0.3
72.99348	0.1
78.95935	0.2
80.96494	0.3
88.98797	0.2
96.96023	0.6
96.96935	0.2
116.92881	0.3
145.06210	0.2
165.01958	0.2
182.02200	1.4
183.02960	1.3
207.02954	0.2
209.11879	0.2
252.04207	0.1
279.08835	0.2
279.53415	0.1
300.89636	0.1
306.07306	0.2
345.08221	1.9
381.74280	0.1
387.38974	0.1
404.85461	0.1
441.14169	0.5
787.33752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.54907	0.1
61.98827	100.0
62.98525	0.2
63.91998	0.1
63.99247	0.2
69.47900	0.6
70.67078	0.1
71.01399	0.1
78.95889	0.1
79.95721	0.2
80.96510	1.1
82.96081	0.2
87.00854	0.1
88.30694	0.1
89.02460	0.1
94.98094	0.2
105.99619	0.1
112.80180	0.1
116.92841	0.3
117.92873	0.1
140.50163	0.1
141.01686	0.2
152.98616	0.1
164.98695	0.2
197.11736	0.1
209.11751	0.2
210.12111	0.1
225.00821	0.2
229.14507	0.4
230.14868	0.2
235.08284	0.1
277.21790	0.7
278.22018	0.6
279.22488	0.2
632.11505	0.1
786.38147	0.5
787.39343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.04783	0.1
61.98827	100.0
62.98529	0.1
63.99252	0.3
70.20544	0.1
71.01379	0.2
78.22808	0.1
78.95920	0.2
79.95723	0.3
80.96507	1.3
82.17254	0.1
82.96075	0.1
85.02933	0.2
93.70255	0.1
94.98091	0.2
114.73866	0.1
116.92861	0.3
148.99176	0.1
164.98625	0.2
209.11885	0.4
210.12213	0.3
225.00667	0.2
229.02734	0.2
229.14423	0.8
230.14775	0.3
253.09404	0.2
277.21844	0.6
278.22006	0.7
424.69812	0.1
568.73016	0.1
786.38086	0.7
787.39203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84196	0.5
59.01380	3.0
61.98828	70.2
71.01362	3.6
73.02946	0.9
78.71581	0.5
78.95885	0.7
78.98579	0.8
79.95744	1.3
80.96510	6.1
85.02930	1.1
89.02435	1.4
94.98062	1.4
98.19850	1.2
101.02440	2.9
113.02409	1.1
116.92864	2.0
123.91768	0.7
148.99184	0.8
152.98550	0.6
161.04578	1.0
164.98613	1.0
183.13889	2.9
185.11812	32.1
186.12166	1.3
193.12297	0.9
197.11783	0.9
209.11806	3.0
210.12051	1.3
211.13382	46.9
212.13687	2.6
218.57886	0.5
225.00716	1.8
227.12912	0.7
235.08199	5.0
253.09258	7.1
277.21704	100.0
278.22034	12.6
279.23022	0.8
350.83627	0.6
421.20810	1.2
429.21255	2.0
447.22214	2.6
513.30695	3.3
514.30719	0.7
545.29547	0.7
707.44006	1.9
785.40137	5.6
786.39777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
61.98827	98.4
70.01051	0.9
70.01363	4.1
71.01374	4.1
75.08661	0.8
78.95907	1.2
79.95728	1.4
80.96529	8.5
80.96979	1.2
85.02940	1.3
87.00848	1.3
89.02412	1.1
101.02455	3.1
113.02435	1.8
116.92880	1.8
118.44486	0.9
119.03451	1.4
148.99182	0.9
152.98753	1.0
161.04585	1.9
179.05574	1.2
183.03059	0.9
183.13901	6.8
185.11821	72.1
186.12166	3.2
193.12323	1.0
197.11757	1.1
200.79068	0.9
209.11823	4.7
210.12170	3.1
211.13394	100.0
212.13736	6.1
213.34496	0.9
225.00822	2.6
227.12776	1.3
235.08228	2.8
253.09265	9.0
261.08981	0.9
277.21710	93.6
278.22070	12.9
279.22455	2.2
421.20724	3.1
429.21146	2.6
447.22357	12.8
448.22714	1.1
513.30676	2.3
557.36462	1.0
707.43561	2.5
785.37659	8.4
786.38171	2.0
787.35767	1.2
797.56219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.8
59.01376	3.3
61.98813	2.1
65.00340	1.1
69.03443	1.5
70.52385	2.5
70.52753	2.2
71.01372	4.3
72.99297	1.4
76.39227	0.9
78.95879	2.6
81.03451	1.1
83.01373	9.5
85.02961	2.2
87.00862	2.7
89.02483	1.7
96.96037	1.7
97.02950	1.5
99.00889	3.3
100.25974	1.2
101.02449	1.6
107.01379	3.1
108.02043	1.1
109.02966	5.8
111.00870	4.2
111.05688	1.2
115.00364	3.5
117.03466	1.4
121.02965	2.3
123.00905	1.2
123.04517	1.4
125.02447	100.0
126.02769	3.6
126.86368	1.3
131.65042	1.1
133.02927	3.1
134.03741	1.3
135.04550	1.8
137.02400	7.0
139.00323	1.5
139.03989	2.3
141.01950	12.2
143.54095	1.0
145.02917	1.5
151.00368	1.6
151.04005	1.9
153.01881	10.2
159.04489	2.4
161.01138	1.8
161.02444	20.2
162.03133	2.6
163.03967	2.1
164.01157	4.8
165.01942	11.7
165.99078	2.1
166.99847	2.0
167.03453	1.9
169.01413	7.6
172.00133	1.2
175.02466	7.4
175.04001	3.2
177.01872	6.8
179.03481	1.8
181.01431	10.5
182.02209	90.3
183.02971	94.8
184.03297	4.2
187.03993	2.8
189.01825	1.7
191.03500	2.3
193.05063	2.1
194.02257	1.4
195.02974	5.2
197.06110	2.0
199.04004	1.9
201.01903	1.5
201.05505	2.5
203.03467	2.8
206.02313	1.4
207.02928	3.2
213.05461	1.3
215.03539	2.2
217.05090	1.3
219.03116	1.4
221.00847	3.2
222.01607	1.8
223.04297	1.3
225.05556	3.3
232.03777	3.5
233.04369	2.7
241.05008	1.8
243.02841	1.9
243.06688	2.2
245.04488	4.8
256.03854	1.4
257.04550	2.9
269.04517	34.4
270.05203	3.8
271.05853	1.4
273.04007	1.5
274.04791	2.6
275.05490	2.1
281.04642	2.4
283.05984	1.3
285.04208	1.9
286.04633	2.3
287.05594	40.9
288.05865	2.1
298.04803	3.6
299.05606	3.9
300.02765	11.7
301.03436	9.6
303.07458	2.1
309.03879	1.8
312.02707	1.5
313.03403	5.1
314.04160	3.2
315.04996	4.7
325.03384	1.8
326.04291	9.3
327.04974	12.0
328.05646	1.5
329.02902	1.3
330.03680	7.3
344.05453	2.7
345.08246	91.5
346.08542	6.9
351.07343	1.7
366.07211	1.5
395.09665	2.6
397.07767	2.3
405.58594	1.4
437.11160	1.6
439.06848	3.8
452.07547	2.5
453.08170	14.2
454.08688	2.3
463.08591	4.1
469.72061	1.3
477.10617	2.3
481.09851	34.6
482.09985	3.2
489.10376	4.8
507.04556	2.0
507.11429	25.4
508.11456	2.6
604.00299	1.3
609.12561	1.8
615.13525	51.5
616.13782	8.4
623.10681	1.6
633.14587	41.5
634.14569	6.4
659.12445	2.6
785.15833	16.9
786.16284	3.0
797.03668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03431	1.9
58.00572	1.1
59.01377	22.7
61.98827	27.2
69.03451	2.8
69.77367	2.6
69.89639	0.8
71.01376	22.6
72.25592	0.9
72.99302	2.3
73.02917	2.8
74.78302	0.8
75.00873	1.3
75.98431	0.9
76.67943	0.8
78.91884	1.3
81.03451	0.9
83.01388	2.3
83.05032	1.6
85.02963	5.4
87.00877	6.0
88.42952	0.7
89.01865	1.0
89.02436	19.1
95.01400	1.3
95.05024	0.9
97.02940	2.7
98.20711	0.9
99.00861	1.4
99.45727	0.8
101.02438	14.5
102.60977	0.8
109.06540	1.1
111.00869	1.0
111.08130	1.4
113.02423	7.4
117.13780	0.8
119.03479	3.4
125.02441	5.5
135.03027	0.8
135.08160	1.1
143.03464	1.9
158.19881	0.8
161.04509	2.9
171.10327	1.0
179.05579	7.0
181.12151	0.9
192.58083	0.8
196.18942	0.8
197.11768	1.2
209.11780	1.6
211.13481	2.1
213.15022	1.4
221.06642	2.6
231.17494	1.1
235.08206	2.5
237.14830	1.4
239.16455	2.3
241.18178	1.3
247.13130	1.2
252.05045	1.0
263.07751	1.2
267.19333	1.0
275.16452	2.0
293.21063	1.2
307.19327	1.1
313.25153	1.0
315.26932	2.4
317.28433	1.3
325.25244	5.3
333.27539	0.9
338.57175	1.0
341.24637	2.6
343.26358	4.6
350.71686	0.9
351.23187	2.0
359.25864	4.2
361.27341	2.0
369.24350	8.0
377.26758	1.3
387.25394	15.5
388.25195	1.7
397.13495	7.7
405.26425	27.8
405.31747	1.6
406.26718	3.5
429.70593	0.9
452.02045	0.8
479.30164	1.1
623.34741	1.0
757.40204	1.4
785.39594	100.0
786.39844	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	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98826	100.0
62.98525	0.2
71.01379	0.1
78.98594	0.1
79.95738	0.1
80.92554	0.1
80.96497	0.7
83.05057	0.1
85.93877	0.1
94.98107	0.1
97.03001	0.1
101.02445	0.1
106.98072	0.1
116.92868	0.1
130.45654	0.1
152.98697	0.1
164.98619	0.1
185.11780	0.4
195.05307	0.1
204.26973	0.1
207.10260	0.1
209.11819	1.1
210.12177	0.4
211.13394	0.5
224.91336	0.1
225.00725	0.2
225.11301	0.1
225.28217	0.1
226.11559	0.1
227.12926	0.2
229.14510	0.2
235.08150	0.1
253.09369	0.2
277.21686	2.3
278.22076	0.7
279.22491	0.1
318.03354	0.1
481.05463	0.1
724.42621	0.1
770.74957	0.1
776.26337	0.1
784.42474	0.6
785.37280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4408
Annotation	lugdunin
Peak:m/z	Relative Intensity
54.98724	0.4
61.11483	0.3
61.44082	0.3
61.98838	0.5
63.96230	1.5
69.03455	1.0
71.01382	9.3
73.02953	1.4
78.98594	7.8
79.95361	0.2
79.95734	16.0
80.96515	87.2
81.03462	1.0
83.01393	0.7
85.02940	4.0
87.00867	2.9
94.98087	19.5
95.01376	0.5
96.96008	1.2
97.02949	1.7
99.00884	1.0
101.02438	2.5
106.98094	3.9
113.02438	0.5
121.69400	0.4
122.97556	4.1
125.02458	3.7
127.03971	0.8
133.68910	0.4
134.97589	6.4
136.99100	1.8
148.99144	6.7
152.98636	5.9
164.98619	13.6
167.00133	0.8
206.99715	3.2
211.13242	1.9
225.00723	21.8
226.00999	1.0
229.05290	0.4
255.23264	1.6
357.97690	0.4
493.17587	0.4
525.20203	2.6
537.27472	1.5
749.41852	0.8
781.44073	100.0
782.44342	24.8
782.59003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98827	100.0
62.98538	0.2
70.06634	0.4
71.01421	0.1
74.67621	0.1
74.91188	0.1
78.95924	0.2
85.02948	0.2
88.98816	0.4
89.02460	0.1
96.96011	0.3
96.96938	0.1
98.20617	0.1
101.02468	0.1
127.12790	0.1
130.89676	0.1
171.10284	0.2
175.02498	0.1
182.02306	0.2
183.02901	0.1
197.11838	0.1
203.55756	0.1
209.11836	0.4
210.12239	0.1
211.13438	0.3
212.13858	0.2
225.11453	0.2
227.12961	0.1
253.09148	0.1
269.08072	0.2
341.23166	0.1
345.08234	0.1
364.07239	0.1
420.56580	0.1
670.90234	0.1
778.29480	0.1
784.36914	0.1
785.39532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98826	100.0
62.98525	0.2
71.01379	0.1
78.98594	0.1
79.95738	0.1
80.92554	0.1
80.96497	0.7
83.05057	0.1
85.93877	0.1
94.98107	0.1
97.03001	0.1
101.02445	0.1
106.98072	0.1
116.92868	0.1
130.45654	0.1
152.98697	0.1
164.98619	0.1
185.11780	0.4
195.05307	0.1
204.26973	0.1
207.10260	0.1
209.11819	1.1
210.12177	0.4
211.13394	0.5
224.91336	0.1
225.00725	0.2
225.11301	0.1
225.28217	0.1
226.11559	0.1
227.12926	0.2
229.14510	0.2
235.08150	0.1
253.09369	0.2
277.21686	2.3
278.22076	0.7
279.22491	0.1
318.03354	0.1
481.05463	0.1
724.42621	0.1
770.74957	0.1
776.26337	0.1
784.42474	0.6
785.37280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03448	0.4
59.01379	10.7
61.98838	3.3
69.03453	0.6
71.01376	3.5
71.05023	0.6
73.02945	1.0
78.98550	0.4
79.95714	0.4
80.96515	2.4
85.02952	1.5
85.03420	0.3
87.00890	0.8
89.02457	1.3
94.98061	0.5
95.01398	0.4
97.02945	3.7
97.06613	0.5
98.20667	1.1
99.00874	6.4
101.02429	2.3
109.06549	0.7
110.03728	0.5
113.02429	1.4
123.08188	0.4
125.02488	0.5
125.09731	1.6
135.08168	0.6
136.05310	0.9
142.02730	1.1
161.04578	0.7
161.09740	0.5
163.11278	3.5
164.98607	0.4
179.10797	0.4
181.10817	0.6
181.12331	7.4
182.12682	0.3
207.10255	23.2
208.10632	1.4
223.13319	0.4
225.00723	0.7
225.11317	52.5
226.11661	2.6
235.08209	2.8
243.12387	6.6
253.09235	3.3
267.12424	0.4
277.21707	100.0
278.22083	8.5
345.15576	0.6
405.17545	0.6
443.19135	4.3
444.19437	0.6
461.20255	6.2
462.20523	0.6
513.30487	0.9
577.37158	0.7
721.41614	21.3
722.41998	5.3
731.64258	0.4
781.40527	4.0
782.41052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01380	15.5
61.61221	0.4
61.98836	5.2
71.01384	4.1
71.05013	0.6
71.41197	0.8
73.02946	0.8
78.95898	0.7
78.98588	0.5
79.95726	0.6
80.29678	0.4
80.96508	3.4
85.02967	1.4
87.00905	0.9
89.02460	2.1
94.98102	1.1
95.01390	0.7
97.02943	8.0
97.06566	0.8
99.00883	10.5
101.02457	3.2
108.02216	0.5
109.06613	1.2
110.03720	1.2
113.02451	2.0
119.03523	0.8
125.02470	1.1
125.09713	3.1
135.08138	1.1
136.05341	0.7
142.02722	1.8
144.41800	0.4
161.04582	1.5
163.11313	7.2
164.11629	0.5
164.98590	0.6
165.01863	0.5
179.05605	0.6
181.12350	15.8
182.12666	1.4
197.11839	1.6
199.13374	1.6
207.10254	48.5
208.10573	3.0
225.00836	1.0
225.11308	100.0
226.11653	5.8
234.01694	1.4
235.08144	1.5
243.12360	11.5
244.12633	1.1
253.09332	3.1
277.21701	89.1
278.22046	8.4
281.14035	0.7
299.14923	1.0
317.16074	0.9
332.33572	0.5
359.07660	0.9
443.19183	5.4
461.20270	44.1
462.20709	3.8
721.41669	30.1
722.42297	7.2
731.80890	0.5
781.41656	4.2
782.37811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
60.45114	0.3
62.10115	0.3
63.02364	0.5
65.00315	1.1
69.29559	3.0
81.89522	0.3
83.01365	0.7
88.98763	0.5
97.02946	0.6
97.04025	0.4
98.20611	0.6
105.99628	0.4
107.01385	2.6
108.02182	0.5
109.02924	1.5
121.02938	3.2
125.02388	0.5
128.03539	1.9
135.00893	0.4
137.02425	2.9
148.01657	0.9
150.99200	0.6
151.00366	10.1
159.04486	0.4
161.02371	0.5
163.00351	2.3
165.01918	8.0
166.02225	0.6
175.01817	0.6
178.99863	5.2
182.02197	0.4
183.02963	0.4
183.04422	0.5
185.05893	0.4
192.00719	0.5
193.01421	0.5
197.04448	2.0
201.05573	0.6
203.12823	1.8
211.04037	1.0
216.04274	0.5
223.42891	0.4
227.03461	1.7
229.05045	0.8
243.02950	4.9
245.04526	1.8
245.13956	1.2
254.02150	1.1
255.02968	13.8
256.03445	1.0
262.08438	0.8
271.02451	28.0
272.02927	2.6
273.04056	0.8
283.02454	1.3
299.01941	0.9
300.02719	54.7
301.03476	42.7
302.03870	3.2
304.06036	3.1
305.06339	1.3
306.05685	0.6
322.06778	0.5
333.06067	2.7
334.06683	0.4
358.16626	0.4
425.14545	1.4
426.14798	1.0
435.09531	1.1
447.09268	100.0
448.09576	12.3
603.32104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.98825	1.3
65.55601	0.2
72.99306	8.7
74.02492	0.3
75.00871	3.8
87.00889	1.1
88.98831	0.2
98.19769	0.4
101.02489	0.3
103.00375	2.7
103.04000	0.3
104.03550	1.2
105.01933	100.0
106.02260	1.4
212.03273	0.2
397.13458	0.4
425.32458	0.2
485.29498	0.2
612.01471	0.2
783.44427	0.2
811.20477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41874	0.5
59.01374	5.2
60.99298	1.8
61.98828	8.0
69.03443	0.6
71.01389	3.2
72.90197	0.5
72.99302	1.0
73.02946	0.5
74.97181	0.5
80.02674	0.9
81.03441	1.3
81.54010	0.5
83.01376	0.6
83.05025	4.1
83.31635	0.5
84.02162	0.7
85.02934	0.9
87.00876	0.8
88.98801	10.7
89.02422	3.1
96.96046	0.8
98.19900	1.6
101.02438	3.1
113.02487	1.3
119.03469	0.7
127.11282	0.5
129.01929	1.6
129.24582	0.6
153.45132	0.5
161.04509	1.4
163.11293	4.0
165.12830	2.0
167.10689	0.6
171.10278	0.7
178.49013	0.5
181.12389	0.5
183.03078	0.6
183.13895	6.1
191.10832	0.7
193.12311	1.5
206.04401	0.6
209.11826	93.6
210.12128	4.9
211.13387	100.0
212.13710	6.4
227.12886	13.8
228.13234	1.1
231.29607	0.6
235.08322	3.2
249.14902	0.9
253.09277	6.6
254.09460	0.8
257.87576	0.5
294.65018	0.5
403.24716	0.7
429.21542	1.4
445.20822	6.1
446.20398	0.7
447.22302	10.6
448.22739	1.8
463.22165	0.7
503.66327	0.5
621.32758	2.2
622.33368	0.8
639.33807	5.7
640.34302	0.8
657.34424	0.8
781.36737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.5
71.53123	0.5
73.84868	0.4
79.95753	1.7
81.70357	0.4
95.95261	0.4
96.96007	65.9
98.77951	0.3
118.13268	0.4
155.72583	0.4
265.14752	100.0
266.15112	6.2
343.43829	0.4
344.16193	0.4
481.86279	0.4
556.61304	0.5
678.32837	0.4
707.96307	0.4
779.35919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.43104	0.1
62.98530	0.2
62.99269	0.1
64.25559	0.1
101.43867	0.1
152.06873	0.1
168.57135	0.1
286.93286	0.1
324.15726	0.1
474.01495	0.1
513.59491	0.1
616.56726	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	12.5
71.38921	8.3
75.59824	5.2
78.95895	4.4
83.01366	5.1
130.80589	4.9
201.11275	38.4
209.11816	70.8
227.12883	14.8
235.08220	16.2
253.09276	13.6
277.21701	100.0
278.22073	7.8
419.19141	5.9
437.20267	7.3
445.20419	9.5
513.30750	8.8
745.72852	5.3
766.65717	5.5
777.41437	28.5
778.42157	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	778.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.3
61.98832	19.3
71.01385	10.7
73.02935	2.6
74.12142	2.0
83.01385	5.2
87.00880	15.9
88.98792	8.2
96.96016	2.0
97.06525	1.8
99.00887	3.8
101.02460	2.0
111.00896	4.2
111.33781	2.1
111.96256	1.7
115.00356	17.2
116.92877	3.6
119.08564	2.1
125.02409	2.3
137.02419	5.6
139.00352	4.6
141.01920	4.3
144.94955	1.8
145.03023	1.8
153.01933	6.1
165.01874	7.5
169.12283	2.5
171.10260	15.4
172.10551	2.7
175.02460	34.0
176.02843	2.0
181.01456	8.7
182.02188	70.9
183.02962	80.2
184.03294	2.9
195.03000	2.2
205.78673	2.1
209.11798	5.2
211.13383	7.7
212.13756	2.1
225.11249	3.2
227.12968	2.3
249.40211	1.9
301.29907	1.9
327.07202	2.8
539.21313	100.0
540.21606	16.3
597.21765	13.0
611.24011	2.5
615.22894	7.5
653.24847	2.2
655.21991	6.3
715.24713	5.8
777.42596	5.4
778.43176	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	779.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
65.00312	0.6
68.99846	0.4
69.03460	1.2
69.58031	2.3
71.01394	0.9
81.03458	0.4
83.01383	3.0
85.02971	1.0
85.23907	0.3
89.03954	0.6
92.02178	0.3
92.55050	0.3
93.03460	1.0
95.01354	0.4
97.02927	1.5
99.00877	1.3
101.02444	0.6
105.03465	0.4
109.02969	1.9
110.00066	0.4
111.00877	2.5
111.04551	0.7
119.05038	0.4
121.02950	1.4
122.71813	0.3
123.00877	0.6
123.04533	0.9
125.02432	1.2
133.02966	2.6
136.98773	0.4
137.02435	4.4
138.03201	0.5
139.00381	2.8
139.04008	1.4
140.01151	1.2
140.71690	0.4
141.01936	5.3
145.02953	0.7
149.02409	0.4
151.04015	1.1
153.01935	6.6
154.02287	0.7
161.02438	8.2
161.05986	0.4
162.02977	0.7
163.04004	0.5
164.73517	0.4
165.01929	9.8
165.99060	1.0
166.02577	0.8
166.99802	0.6
167.03493	1.4
175.03944	0.5
176.01170	0.5
177.01924	12.5
179.03497	0.5
181.01424	8.0
182.02202	70.1
183.02968	68.7
184.03293	2.9
185.05933	0.4
189.01888	1.1
193.01425	1.3
194.02193	1.0
195.02997	3.0
201.05475	0.4
207.02985	0.8
216.00676	0.9
221.00929	1.6
223.02310	0.5
225.03929	0.8
227.07156	0.8
229.01341	1.0
229.05042	2.3
241.05096	0.8
243.06538	0.5
247.35683	0.4
269.04431	0.8
271.06110	13.0
272.06448	1.2
275.39819	0.4
281.04547	1.5
283.06119	1.2
293.04568	0.5
295.06082	0.5
303.07086	1.0
311.05545	1.0
321.04047	1.8
323.05585	6.7
324.05991	0.7
327.07495	0.5
337.07669	0.4
339.05093	3.4
345.08249	100.0
346.08627	7.1
363.04987	0.5
371.23715	0.4
380.05243	0.8
381.06146	0.5
415.08038	0.9
433.09241	8.1
434.09753	1.0
446.06293	1.6
447.07251	1.2
449.07343	1.0
465.08176	1.6
507.11414	3.5
543.11542	2.8
544.11890	0.4
599.11407	0.5
609.12354	1.0
627.13562	12.3
628.13885	2.4
761.17169	0.6
779.18286	13.8
780.18414	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	775.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.3
61.98832	11.6
71.01366	4.3
77.48650	1.0
78.23496	1.0
79.06607	0.9
79.90184	0.9
81.03445	1.2
83.01379	12.2
83.04999	1.5
85.02947	1.1
87.00874	1.8
89.02433	1.3
93.03431	1.0
96.95980	2.1
97.02950	1.2
99.00888	1.1
101.02431	1.8
113.02454	1.2
115.00353	1.6
116.92850	4.6
119.05068	1.4
127.03937	0.9
135.04483	1.7
137.02446	2.5
138.03189	2.1
141.01901	1.8
143.04985	2.1
147.04483	1.2
150.03175	3.1
152.01129	1.7
153.01820	1.1
161.02400	1.2
161.06090	1.2
163.03983	10.0
164.04761	2.3
165.01906	7.4
166.02634	1.9
169.01431	1.0
170.02213	1.8
171.10181	3.9
175.02477	2.3
177.05476	2.6
178.02634	1.9
179.03391	4.0
181.01373	1.1
182.02194	3.4
183.02953	2.4
185.11676	1.1
187.03970	3.0
191.03481	9.6
191.07037	1.3
192.04224	1.3
195.03029	1.9
201.05571	3.1
205.05038	16.8
207.03008	5.5
207.04628	1.0
209.11841	7.6
211.90834	1.0
219.02971	2.3
219.06512	3.5
225.11304	2.6
227.12727	1.5
229.04970	3.5
233.04529	30.8
233.08012	1.2
234.04861	1.6
251.83774	1.1
253.09322	1.5
259.06049	1.5
307.15326	1.8
317.14026	1.7
333.12985	1.2
349.16544	2.5
359.14734	2.6
397.13275	1.2
450.18811	1.4
451.19638	3.0
523.14490	3.2
554.89880	1.0
569.22754	1.2
585.25409	4.3
612.24048	12.6
613.25043	11.6
614.25500	1.4
775.30170	100.0
776.30530	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	775.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.13014	11.0
69.78802	51.3
71.76457	10.7
80.96501	10.8
88.28450	11.3
90.54883	9.3
92.49416	10.6
184.68713	12.0
211.13464	25.8
218.30626	11.6
277.21667	24.3
517.64624	11.7
594.88055	17.0
775.44128	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	773.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03449	1.6
57.64824	0.5
59.01379	4.6
61.98826	7.8
69.03438	1.4
71.01376	5.4
71.52572	0.6
72.99316	0.5
73.02944	0.9
73.24439	0.5
75.00864	2.4
78.95909	0.8
79.95698	0.5
80.02675	0.7
80.96507	1.1
81.03451	1.2
83.01377	1.2
83.05016	3.8
84.02174	0.6
84.68513	0.4
85.02947	4.1
85.80762	0.4
87.00880	1.6
89.02448	3.6
95.01355	0.5
95.05009	1.5
96.96012	8.6
97.02963	1.2
97.06582	1.7
99.00878	0.7
99.92577	0.7
101.02447	4.1
106.69590	0.4
107.41432	0.4
109.06578	0.5
113.02453	2.5
115.00391	0.5
116.92855	6.3
119.03521	0.7
125.06052	1.0
125.09749	0.7
127.11279	1.1
135.08107	0.5
137.09705	1.2
143.89812	0.5
145.05067	0.5
155.10738	0.6
161.04546	3.0
163.11298	3.7
165.12823	2.3
171.10255	14.4
172.10628	0.6
179.05630	0.6
181.12286	0.8
182.02104	0.6
183.02885	0.7
183.13937	2.5
185.11775	1.0
191.10776	0.8
193.12372	0.6
197.11829	0.8
199.13452	1.5
201.11349	0.9
209.11809	100.0
210.12151	6.2
211.13391	10.7
212.13724	0.9
221.11784	1.5
225.11449	0.6
227.12848	14.1
228.13158	0.9
229.14409	7.5
230.14764	0.5
235.08191	8.5
239.12843	1.1
253.09267	21.2
254.09654	0.9
260.05978	0.6
291.19666	4.0
308.53983	0.5
309.20639	7.4
310.21155	0.7
327.21729	62.0
328.22119	5.6
329.37592	0.4
337.32828	0.4
345.08139	0.8
351.22513	0.5
363.63516	0.6
445.20569	2.6
463.21524	0.7
519.33051	1.2
545.29736	1.7
563.30743	3.5
564.30914	0.8
611.43176	0.5
655.33765	0.5
773.36322	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	775.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.2
61.98827	7.4
71.01367	2.4
71.52945	1.6
79.13714	1.0
83.01385	13.6
85.02934	1.8
87.00843	1.3
92.28676	1.0
96.96020	2.4
97.02940	1.1
99.00838	1.3
101.02428	2.6
113.99522	1.0
116.92844	2.2
118.98312	0.9
119.05012	2.5
123.00858	1.1
124.01638	1.3
125.02417	1.1
135.04512	2.2
137.02414	3.3
138.03241	1.4
141.01913	1.8
143.04997	2.7
150.03186	4.5
151.04021	1.3
153.01939	1.7
163.04031	8.5
164.04741	2.3
165.01927	9.2
166.02742	1.2
167.03537	2.2
170.02184	1.1
171.10362	1.7
177.05580	3.1
178.02684	1.9
179.03490	5.5
182.02164	2.9
183.02911	1.1
187.03922	2.3
189.67447	0.9
190.02733	1.0
191.03528	11.4
192.04158	2.3
194.02103	1.5
201.05508	3.6
205.05028	13.9
207.02919	4.8
207.04915	1.9
209.11786	3.3
211.13284	1.5
215.03513	2.0
219.06544	2.9
227.12987	1.3
229.04997	2.4
233.04535	29.5
234.04773	1.8
247.06071	2.2
248.06693	1.0
287.16626	1.1
289.14258	1.4
305.14053	1.1
307.15640	2.5
333.13339	1.3
349.16650	2.3
359.14902	1.7
377.15945	1.4
450.18845	1.5
451.19241	2.3
461.71469	1.1
585.25226	6.6
586.25879	1.1
612.24255	10.4
613.24902	14.5
775.30176	100.0
776.30585	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	773.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	11.2
61.98827	93.9
63.39740	4.0
70.10351	18.1
71.01404	5.2
78.95918	7.0
80.96519	7.0
83.01389	5.0
85.02971	7.5
85.81100	4.5
88.98771	4.4
96.95982	15.7
101.02435	5.3
105.81641	4.2
113.02381	4.2
115.00371	7.6
116.92870	7.7
137.02420	16.8
138.02763	6.0
152.04839	6.5
165.01883	14.7
166.02457	5.2
171.10245	15.3
181.04967	8.9
182.02243	26.1
182.05396	9.0
183.02917	35.9
183.13843	11.6
184.03481	7.7
199.13509	7.0
208.03709	39.9
209.04344	32.2
209.11824	100.0
210.04521	15.3
210.12138	6.0
211.13342	11.4
216.81570	4.9
227.12898	59.1
236.06836	5.9
253.09309	16.0
262.08334	5.3
286.98404	5.1
327.21768	47.9
345.08282	31.8
346.08655	23.3
347.08688	26.9
371.09842	49.6
372.10168	54.8
373.10370	48.6
399.13019	8.2
400.13403	7.8
401.13467	6.8
419.38135	5.0
425.14151	6.8
426.14774	12.7
427.15082	15.6
445.20892	10.1
463.21933	12.9
486.19836	5.5
773.35803	31.6
774.37238	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	773.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98831	1.7
71.01378	0.8
71.51295	0.3
71.51734	0.3
75.64247	0.2
78.95908	1.9
79.95753	1.2
88.98777	0.4
95.00481	0.3
96.96008	28.5
96.96906	2.2
99.92567	2.1
116.92813	0.4
120.41162	0.2
132.89977	0.5
134.89468	100.0
135.89458	5.7
141.00879	0.3
169.12334	0.3
171.10216	0.7
182.02257	0.3
183.02936	0.4
209.11807	0.4
211.13307	1.7
212.13785	0.8
246.31963	0.3
253.09200	0.3
291.19745	0.3
293.21295	0.5
309.20663	0.3
343.24594	0.4
345.08221	0.3
376.38852	0.3
379.96204	0.3
609.35303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98829	3.7
65.54555	0.2
68.99791	0.2
69.03442	0.5
70.66202	0.4
70.66545	0.4
71.01371	1.4
73.02946	0.3
75.00883	0.5
77.03967	0.5
79.30915	0.2
81.03449	0.4
83.01371	2.1
85.02943	1.0
89.02457	0.5
93.03463	0.4
95.01379	0.5
96.96010	2.2
97.02945	0.8
99.00880	1.0
99.04567	0.2
101.02451	0.6
102.83548	0.2
106.64140	0.2
109.02934	0.4
110.00107	0.4
111.00890	1.8
111.04514	0.5
113.02442	0.6
113.40460	0.2
116.92862	0.7
121.02940	1.4
123.00894	0.4
124.01638	0.3
125.02447	0.4
129.01939	0.3
137.02443	6.2
137.09816	0.2
138.03197	0.7
139.00319	1.2
139.04005	0.9
140.01134	0.7
141.01944	2.7
149.09718	0.4
150.03171	0.4
151.04022	1.3
153.01909	2.4
154.24127	0.3
155.03465	0.5
163.04021	0.4
165.01918	10.1
165.99028	1.6
166.02725	1.7
166.99826	0.8
167.03477	0.9
170.02202	0.6
171.10278	0.7
177.01936	0.5
179.03505	5.6
179.10710	0.3
180.03932	0.3
181.01414	3.6
181.05052	0.3
182.02205	63.1
183.02969	59.6
184.03317	2.5
185.11705	0.3
193.05084	2.8
193.08707	0.6
194.02202	0.8
195.02975	2.6
195.10269	0.7
199.13463	0.4
201.11287	0.3
207.03001	8.3
207.05081	0.4
207.06664	3.4
207.10159	0.2
208.03645	1.0
208.10945	0.4
209.11823	2.1
210.12192	0.3
211.13403	1.2
219.02899	0.3
219.10246	1.5
221.04613	2.2
221.08157	0.7
221.11736	0.7
222.05077	0.3
223.09686	0.7
225.03970	0.2
227.12883	1.0
228.13306	0.3
235.06122	4.5
235.09787	0.8
236.10219	0.4
237.11296	9.8
237.13737	0.5
238.11574	0.5
238.82991	0.2
240.10005	0.3
247.09694	0.7
249.07729	0.2
253.09320	0.6
254.43071	0.2
259.09906	0.3
263.09219	0.8
264.10013	33.3
265.10742	16.4
266.11191	1.1
277.10812	0.9
291.19800	0.3
303.07303	0.5
327.21725	1.7
345.08237	100.0
346.08572	8.9
371.09875	0.4
373.10291	0.5
409.15039	0.4
427.16058	73.2
428.16382	7.8
463.21533	0.3
773.41669	0.4
784.68604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90063	0.2
61.98827	100.0
67.85143	0.2
69.84447	0.5
69.84855	0.8
71.01353	0.4
72.91550	0.2
79.95720	0.3
80.96510	2.5
81.45969	0.2
81.72953	0.2
94.83115	0.2
94.98082	0.3
164.98643	0.4
202.14374	0.2
220.12930	0.2
225.00763	0.3
562.08490	0.2
772.39966	2.5
773.40796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34732	1.1
58.55718	1.1
59.01373	9.2
59.24377	1.2
61.98829	98.2
63.99242	1.5
64.72116	1.4
70.16382	1.3
70.21001	1.1
71.01380	9.1
80.96509	7.9
81.03436	4.9
83.01379	8.1
85.02943	2.0
87.00861	2.4
89.02422	3.9
96.95985	2.9
98.19901	3.9
99.00868	1.9
101.02425	5.3
106.06649	1.4
115.00356	1.5
119.03494	1.7
125.02448	6.6
146.04581	1.2
164.14426	2.8
182.02199	4.6
183.02788	5.5
190.12338	3.1
204.13963	17.5
208.13399	8.8
209.11751	3.9
209.13676	1.6
222.14999	2.0
225.00665	2.0
228.13826	1.7
244.17075	1.9
246.14992	9.0
264.16046	16.9
270.14957	4.7
272.12839	2.6
288.15964	4.4
302.15909	1.4
306.17120	1.5
312.15976	3.2
314.13980	3.1
330.16998	4.4
332.14902	3.7
339.38205	1.3
345.08127	6.6
346.08481	3.5
356.15030	3.3
374.15945	2.8
549.12219	1.5
588.24194	1.4
746.25323	1.5
772.30157	100.0
773.30634	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
59.49502	0.6
61.98830	40.8
66.71676	0.6
69.03455	0.6
69.50468	2.9
69.50883	1.2
71.01381	2.9
78.98602	0.5
80.96515	1.6
83.01373	2.7
83.05045	1.3
85.02933	1.4
87.00861	0.9
89.02426	1.3
93.03443	1.4
96.96001	4.7
97.02925	1.4
97.06602	1.0
99.00870	1.9
101.02421	1.5
109.02896	0.6
111.00851	0.9
113.02484	1.4
121.02987	0.8
121.06585	0.6
123.04529	1.6
125.02390	1.1
125.09735	0.7
129.01927	0.6
135.04506	0.7
137.02441	17.2
139.03993	2.1
141.01920	1.3
150.03215	0.8
151.04051	0.9
152.04776	9.4
153.01913	2.0
163.03990	3.0
163.11273	1.6
165.01930	17.1
165.05569	1.5
165.98965	0.8
166.02594	1.9
167.03453	2.6
171.10255	5.2
179.03445	5.0
180.04291	2.9
181.01476	1.7
181.05042	11.5
181.12344	0.9
182.02199	33.2
183.02979	32.4
184.03741	6.5
185.11818	0.9
191.03400	1.0
195.03014	2.1
197.11775	1.2
199.13312	1.0
201.11345	1.4
205.05019	0.8
207.02959	3.8
207.04939	1.2
207.10275	3.3
208.03755	45.7
209.04509	22.8
209.08113	2.7
209.11830	13.4
210.04886	1.1
211.13348	3.2
221.04506	2.6
225.11275	5.8
226.11639	0.9
227.12885	3.0
229.14340	0.7
231.06526	0.8
233.04521	4.4
235.09840	1.4
236.06880	6.4
237.07593	4.1
249.07657	1.1
250.08330	0.8
253.09285	2.7
262.08417	5.7
263.09164	2.4
289.17957	0.9
291.19629	1.3
307.19144	0.9
325.20215	3.1
327.21603	3.0
345.08252	50.0
346.08621	3.7
353.08566	0.9
371.09802	100.0
372.10147	7.5
399.12939	21.6
400.13364	2.1
413.14621	0.8
425.14505	25.3
426.14877	2.7
461.20041	1.8
479.92038	0.7
771.22925	1.2
771.41583	3.0
772.23407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98827	66.4
63.99265	0.9
67.01868	0.7
70.69492	0.6
71.01361	2.3
78.95912	0.8
79.95734	1.1
80.96513	3.8
83.01389	2.6
83.24451	0.7
85.02921	0.9
93.03441	1.6
96.96009	3.5
99.00859	1.3
107.05018	0.7
109.68271	0.8
111.04462	0.7
123.04516	1.0
129.01927	1.0
137.02431	16.3
138.03000	0.8
139.04005	1.5
141.01927	1.4
149.02412	0.8
150.03140	1.1
151.03979	1.2
152.04787	8.4
153.01907	1.8
163.04013	2.2
164.98645	1.2
165.01918	17.7
165.05579	2.4
166.02591	1.0
166.99855	0.8
167.03523	1.6
177.01991	0.7
179.01970	1.1
179.03409	4.2
180.04265	2.9
181.01445	1.7
181.05048	14.8
182.02193	33.8
183.02972	32.9
184.03781	5.6
193.05025	0.9
195.02960	1.2
205.04991	3.0
207.02977	4.7
207.04948	1.4
207.10156	1.0
208.03746	48.0
209.04521	21.0
209.08162	2.4
209.11757	2.5
210.04887	1.1
221.04616	2.5
223.06023	1.2
223.10011	0.7
225.00699	1.6
225.11284	1.5
233.04564	4.0
235.09761	2.6
236.06891	7.5
237.07629	4.1
249.07565	1.1
250.08311	0.9
251.09138	1.0
253.93846	0.7
262.08447	6.6
263.09055	2.9
285.04099	1.1
327.21820	0.8
335.55881	0.7
345.08221	57.7
346.08600	3.9
371.09787	100.0
372.10190	8.4
399.12900	20.7
399.18140	1.4
400.13498	1.5
425.14481	26.0
426.14639	2.4
442.85596	0.8
753.31201	0.8
771.23132	2.0
771.34845	2.4
772.23944	0.9
778.48602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55423	0.3
57.03447	0.5
58.07356	0.4
59.01371	2.6
61.98830	6.7
69.03453	1.3
69.27934	3.6
71.01377	2.4
73.02953	0.7
75.00859	0.7
78.95892	0.5
79.95711	0.5
80.96529	0.6
83.01374	2.8
85.02937	1.5
87.00859	0.8
89.02454	1.4
93.03456	1.0
95.05025	1.0
96.96005	2.5
97.02930	1.8
97.06570	0.6
98.80172	0.4
98.80842	0.4
99.00876	2.7
101.02451	1.5
107.05036	0.5
109.02940	1.0
109.06573	0.7
111.00877	1.0
111.08122	0.5
113.02431	1.2
116.92848	0.6
119.03401	0.4
121.02918	1.2
123.00831	0.6
123.04513	1.1
125.02386	0.5
125.09703	1.1
135.04454	0.5
137.02438	16.1
138.03093	0.5
139.00380	0.8
139.03979	1.6
141.01923	2.0
149.05878	0.5
150.03180	0.4
151.03978	0.9
152.04793	9.5
153.01932	1.4
153.05235	0.6
161.04514	0.5
163.04005	3.3
163.11267	1.6
165.01915	16.3
165.05568	1.8
165.99139	0.7
166.02634	1.7
167.03471	3.0
171.10269	7.7
179.03473	3.7
180.04283	3.4
181.01486	2.4
181.05054	12.8
181.12321	2.8
182.02193	32.4
183.02966	31.3
184.03694	5.8
185.11641	0.5
191.03468	1.5
193.05035	1.4
194.02094	0.6
195.02966	1.8
197.11790	6.7
199.13391	1.3
201.11275	0.9
203.03568	0.6
205.05011	1.7
205.89835	0.4
207.02954	3.9
207.05020	1.0
207.10233	4.4
208.03752	50.0
209.04521	22.6
209.08170	2.1
209.11853	3.2
210.04842	1.1
211.13377	3.3
221.04573	2.6
221.08220	1.0
223.06091	0.7
225.11314	7.7
227.12863	0.9
233.04520	3.6
234.08890	0.4
235.09842	1.2
236.06888	9.4
237.07626	4.4
243.12331	2.1
246.68468	0.4
249.07629	0.6
250.08467	0.9
251.09169	0.4
253.09288	3.4
262.08420	5.7
263.09180	3.2
263.19943	0.5
289.18082	0.6
291.19611	1.8
309.20670	5.6
325.20129	0.8
329.08759	0.4
341.23257	0.7
345.08237	57.8
346.08496	4.3
371.09796	100.0
372.10156	7.5
399.12888	18.9
400.13345	2.2
413.14227	0.7
425.14508	23.3
426.14917	3.1
461.20267	1.2
473.21698	0.4
746.43860	0.4
753.40924	0.7
754.39417	0.5
770.38672	1.3
771.23718	1.9
771.41608	14.7
772.23682	0.4
772.41614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	0.2
59.01371	1.0
62.37913	0.2
71.01372	0.8
85.77142	0.2
88.28947	0.2
89.02453	0.8
93.03468	0.8
101.02448	0.6
113.02459	0.5
113.72251	0.2
117.03460	1.6
119.05025	96.9
120.05358	3.6
121.02951	5.2
125.02437	0.5
143.04660	0.2
145.02951	7.4
146.03345	0.4
151.00409	0.5
161.04556	0.4
161.06079	0.3
163.04005	100.0
164.04352	4.4
179.05605	0.7
187.03966	0.3
194.74352	0.2
205.05023	0.5
221.06648	0.3
229.18831	0.3
243.02782	0.3
271.02426	2.4
299.01984	4.0
300.02682	1.7
301.03342	1.6
303.05322	0.4
306.07623	0.3
323.09708	1.8
325.09271	17.7
326.09634	1.5
462.08087	0.7
487.14481	0.3
606.85107	0.3
609.14661	2.1
695.52191	0.3
771.19812	2.1
772.20923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14671	0.3
58.26039	0.3
59.01373	2.5
61.98828	13.5
64.32329	0.4
67.01913	0.5
69.03444	0.7
69.49306	1.8
71.01383	1.6
78.95886	0.5
80.91698	0.3
80.96521	0.5
81.03433	0.4
83.01375	3.0
85.02940	0.7
87.00889	0.6
88.98815	0.4
89.02468	0.7
93.03449	1.0
95.05012	0.4
96.96008	6.2
96.96922	0.7
97.02962	0.8
97.06622	0.4
98.19968	0.4
99.00861	0.7
101.02431	1.0
107.05042	0.6
109.06586	0.8
111.00855	1.0
113.02442	0.8
116.92851	1.1
121.02930	0.7
123.04530	1.1
125.02434	1.0
129.01901	0.4
137.02440	16.0
137.06099	0.7
138.02913	0.3
139.00380	0.8
139.04033	1.7
140.01129	0.3
141.01941	1.6
150.03152	0.5
151.03992	1.3
152.01218	0.3
152.04796	8.6
153.01920	1.2
153.05333	0.4
163.03989	2.4
163.11287	0.7
165.01923	16.0
165.05554	1.4
165.09163	0.4
165.99097	0.4
166.02551	1.4
166.99876	0.3
167.03505	2.5
170.02254	0.4
171.10258	4.8
177.05565	0.6
179.03481	4.0
180.04279	3.6
180.07826	0.5
181.01518	2.1
181.05055	13.0
181.12442	0.3
182.02194	31.0
183.02963	31.8
184.03729	5.8
185.04115	0.6
185.11972	0.5
189.05835	0.3
191.03474	1.4
191.07175	0.6
193.05031	1.3
194.02119	0.5
195.02966	1.6
197.11787	2.3
203.03455	0.5
205.05063	1.2
206.09279	0.4
207.02979	4.0
207.04944	0.7
207.10315	1.6
208.03751	49.2
209.04510	22.8
209.08165	2.2
209.11775	2.1
210.04890	1.3
210.12088	0.5
211.13388	2.2
221.04539	2.0
225.11386	3.1
227.12895	1.0
233.04532	3.7
235.10065	1.9
236.06862	8.5
237.07599	4.2
249.07692	0.9
250.08412	1.2
251.09195	0.8
253.09241	1.4
262.08435	6.2
263.09210	3.2
291.19672	1.3
300.48956	0.4
309.20645	3.1
310.21158	0.4
341.23349	0.6
345.08228	55.5
346.08575	3.5
371.09790	100.0
372.10150	8.1
399.12912	21.1
400.13287	2.3
413.14725	0.5
425.14496	22.3
426.14828	2.3
461.20328	0.7
603.55109	0.4
771.23376	1.9
771.39722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01372	1.0
59.58558	0.2
61.98826	37.9
62.02906	0.2
62.98530	0.3
63.99241	0.3
68.22083	0.2
68.99821	0.2
69.03449	0.5
70.89577	0.3
70.89898	0.3
71.01366	1.2
73.02938	0.3
75.00866	0.3
77.03970	0.5
80.96507	0.5
81.03450	0.4
83.01376	2.8
85.02956	0.6
87.00851	0.3
93.03477	0.3
95.01388	0.3
95.91089	0.2
96.96011	0.9
97.02932	1.2
99.00854	1.0
101.02461	0.4
108.02211	0.3
109.02952	0.6
110.00067	0.3
111.00890	1.6
111.04520	0.4
113.02400	0.4
115.04047	0.3
118.13507	0.2
119.05041	0.3
121.02949	0.9
123.00881	0.3
123.04459	0.3
124.01699	0.4
125.02457	0.6
127.04016	0.3
135.04485	0.3
137.02449	3.8
137.99611	0.3
138.03215	0.9
139.00401	1.1
139.04021	1.3
141.01932	2.8
141.25566	0.2
143.05029	0.3
147.08191	0.3
150.03189	0.9
151.00334	0.2
151.03947	0.7
152.01137	0.8
153.01953	2.5
155.03481	0.7
161.09708	0.3
163.03987	3.3
163.11317	0.4
164.04738	0.6
165.01926	7.5
165.05449	0.3
165.99074	0.9
166.02675	1.7
166.99840	0.8
167.03529	0.5
170.02139	0.3
171.10199	0.4
177.01932	0.5
177.05585	1.6
177.09213	0.2
178.02698	0.9
179.03482	1.4
181.01434	3.3
182.02196	63.4
183.02960	61.9
184.03311	2.6
185.11884	0.2
187.04027	0.6
190.02660	0.3
191.03506	3.8
191.07156	0.8
192.04175	0.8
193.01378	0.3
193.08723	0.4
194.02209	0.8
195.02951	1.9
201.05617	0.6
203.03543	0.2
205.05042	7.9
206.05328	0.4
206.09454	1.8
207.02963	2.2
207.05052	0.6
208.03674	0.3
209.11816	1.4
211.13342	0.4
215.03471	0.6
217.08800	1.1
219.03113	0.3
219.06577	1.3
219.10187	0.6
221.08121	0.5
225.04083	0.4
225.11256	0.6
227.12930	0.6
229.04967	0.6
233.04527	16.3
233.07867	1.3
234.04916	1.1
234.08919	1.6
235.09726	9.3
236.10144	0.8
245.08170	0.4
247.05994	0.7
253.09209	0.3
257.08182	0.5
261.07849	1.0
262.08435	33.6
263.09149	13.3
264.09521	1.0
275.09241	0.8
286.07022	0.2
287.09030	0.2
294.56876	0.2
303.07294	0.4
325.20160	0.3
327.07141	0.3
345.08224	100.0
346.08591	7.6
376.10080	0.2
378.95877	0.2
383.13455	0.3
387.23752	0.2
407.13043	0.3
425.14490	82.9
426.14813	9.7
426.19321	0.2
459.84747	0.2
461.20856	0.2
636.33917	0.3
771.34723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98827	100.0
62.98549	0.3
70.74669	0.6
71.01394	0.3
78.95885	0.5
80.95939	0.2
80.96509	0.4
88.98805	0.6
96.96012	0.6
105.91142	0.2
143.04634	0.2
143.50339	0.2
144.53015	0.2
167.16545	0.3
171.10329	0.4
179.84718	0.2
182.02281	0.5
197.11819	0.6
209.11841	1.4
211.13402	0.6
308.20065	0.2
337.75250	0.2
345.08405	0.2
551.37823	0.2
625.83905	0.2
638.36926	0.2
769.34167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93578	0.1
59.01365	0.3
61.98827	100.0
62.98544	0.2
70.74462	0.2
87.00915	0.1
97.56869	0.1
148.72630	0.1
169.12488	0.1
171.10320	0.3
175.02493	0.1
175.95291	0.1
183.13936	0.1
197.11861	0.2
207.10335	0.1
209.11777	0.1
211.13377	1.1
212.13702	0.7
213.13980	0.3
214.14275	0.1
224.70786	0.1
225.11337	0.2
228.19237	0.1
241.51546	0.1
253.09271	0.1
289.18045	0.1
307.19110	0.1
370.78229	0.1
379.52985	0.1
393.98083	0.1
443.13077	0.1
449.23224	0.1
492.58197	0.1
760.16217	0.1
769.40277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81149	1.4
55.46306	1.4
59.01370	4.4
61.98821	6.0
66.68592	1.4
67.92980	1.4
69.26884	10.2
71.01364	6.5
79.95796	1.4
80.96503	1.4
81.03486	1.9
83.01380	6.3
83.05016	1.9
85.02944	2.2
93.03466	6.4
94.79787	1.3
98.29662	1.4
99.00871	4.3
101.02410	2.4
107.04951	1.4
109.02920	2.3
111.00864	5.6
113.02412	1.7
119.05025	11.9
121.33246	1.3
125.02396	1.9
133.06569	1.4
136.98787	2.3
137.02414	6.2
137.16980	1.3
139.00319	2.7
139.04027	2.3
140.01169	1.9
141.01913	15.6
152.04759	1.7
153.01930	19.3
157.06575	2.3
158.96838	1.5
161.04468	1.4
163.03961	2.1
165.01920	9.7
165.99113	1.7
167.03496	14.6
169.12291	1.8
171.04451	1.7
171.10207	2.5
181.01407	21.6
181.04984	5.0
182.02202	33.7
183.02968	25.3
184.03648	1.9
185.11841	1.4
195.02954	10.2
196.03734	6.2
197.11829	2.2
207.02931	1.5
208.03708	10.1
209.04576	6.6
209.11801	35.1
213.11241	2.5
227.12823	5.8
231.06528	2.6
235.08092	1.7
243.02989	1.9
245.04471	1.9
253.09288	3.6
259.06076	38.1
260.06497	2.1
268.07532	1.4
273.07614	3.3
277.21704	62.4
278.22031	4.8
279.23120	1.7
285.07486	1.9
287.05618	16.6
289.53775	1.6
302.07950	44.7
303.08347	5.9
346.07080	8.1
347.07492	6.4
511.88074	1.6
605.29956	9.0
606.29443	3.7
631.31201	7.4
632.30566	1.8
769.34247	100.0
770.34662	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	770.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.52484	0.2
77.86958	0.1
79.95747	0.1
80.96526	0.5
90.38384	0.1
94.36002	0.1
131.17056	0.1
159.02841	0.1
203.84056	0.1
211.13405	0.2
216.78973	0.1
277.21793	0.2
278.22147	0.2
494.65012	0.1
630.29059	0.1
652.29633	0.1
771.39960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98664	0.2
56.56747	0.2
59.01377	0.6
61.98807	0.6
71.01373	0.5
71.52154	0.3
71.56660	0.2
99.92558	1.7
111.19499	0.2
123.00148	0.2
132.90005	0.3
134.89465	100.0
135.89462	4.7
139.46515	0.2
183.02968	0.3
185.11591	0.2
197.11792	0.2
209.11696	1.1
210.12227	0.4
211.13368	1.1
235.08032	0.4
253.09253	0.3
291.19736	0.7
292.20126	0.7
309.20731	0.3
404.18967	0.2
518.97217	0.3
532.00873	0.2
552.81274	0.2
615.53894	0.2
653.20343	0.2
771.40955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
61.98823	27.7
64.83427	0.9
69.03443	1.0
71.01366	1.9
71.05019	1.0
71.52522	1.6
75.00871	1.2
78.95957	1.1
81.03423	1.2
83.01382	2.9
85.02975	1.4
88.98827	1.1
89.02404	1.1
96.95972	1.6
99.00893	1.5
101.02435	1.4
109.02938	3.4
111.00875	2.4
114.08749	1.0
121.02893	1.1
124.76881	1.0
125.02427	1.1
136.98814	2.5
137.02419	4.5
139.00406	2.7
141.01929	3.9
141.91731	1.2
149.02295	1.2
153.01927	32.9
157.12297	1.1
163.03958	1.2
165.01915	7.6
165.46214	0.9
165.99107	1.4
166.02737	2.0
166.99893	1.1
167.03467	2.6
175.02489	1.0
181.01413	57.6
182.02191	69.9
183.02963	74.1
184.03275	2.7
185.11826	1.4
195.02910	1.7
207.02985	3.8
209.11761	4.8
211.13281	1.6
225.04010	2.0
227.13060	1.3
249.03989	1.8
266.17490	1.1
291.19757	1.1
309.20663	3.6
327.07181	59.7
328.07471	5.2
329.23566	1.8
345.08215	29.1
346.08658	2.8
366.76596	1.0
373.26047	1.1
375.27493	32.4
376.27820	3.0
397.13684	1.4
415.14520	1.7
415.36700	1.2
455.47461	1.1
695.00043	1.1
703.35376	100.0
704.35645	24.9
789.49738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06690	0.5
59.01377	1.1
62.43668	0.5
63.02385	1.9
65.00322	3.1
71.01379	3.1
71.52173	1.0
75.00842	0.9
83.01374	1.8
85.02952	1.4
93.03460	0.7
99.00893	0.6
107.01385	7.7
109.02958	4.1
113.02455	1.8
121.02958	7.1
148.37323	0.6
149.02432	1.4
151.00362	32.8
152.00700	1.2
159.04527	1.0
163.00360	4.0
163.03947	0.6
169.01390	1.2
175.02521	0.6
178.99863	13.4
187.03934	0.8
190.99835	0.7
193.01237	0.9
195.17596	0.6
199.03934	0.6
201.05563	1.0
211.04042	1.2
227.03468	1.7
229.04988	1.5
243.02753	0.7
245.04613	2.6
245.06729	0.6
255.03003	4.5
256.03516	0.7
257.04449	0.7
266.02411	1.0
271.02371	0.8
273.04065	1.9
283.02441	2.4
301.03513	100.0
302.03851	7.8
477.06696	69.0
478.07062	8.5
736.20148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.6
69.03455	1.5
70.59097	0.9
71.01376	1.1
77.03961	1.2
83.01380	2.7
93.03461	0.6
95.01402	0.5
97.02942	1.1
99.00883	2.0
109.02878	0.7
110.00076	1.1
111.00887	3.6
121.02947	2.2
124.89822	0.4
125.02427	0.8
135.04500	1.0
137.02444	6.3
139.00351	3.2
139.04005	1.1
140.01157	1.2
141.01958	4.1
151.04041	0.7
152.39180	0.5
153.01939	6.1
155.03477	0.6
155.19330	0.4
163.03918	0.5
165.01920	9.2
165.99088	3.4
166.02602	0.7
166.99843	1.4
167.03479	0.7
177.01927	1.0
179.03453	0.6
181.01419	8.9
181.02905	0.7
182.02197	100.0
183.02963	81.9
184.03297	3.2
186.01784	0.5
194.02171	1.3
195.02959	1.9
207.02925	0.4
211.13268	0.4
225.04063	0.4
235.09460	0.5
277.21582	3.8
327.07123	0.6
395.62329	0.4
403.64465	0.4
433.98666	0.4
539.53815	0.4
587.28699	0.7
605.29626	99.2
606.30005	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12737	0.5
59.01375	1.0
60.99304	19.0
61.98816	2.4
71.52358	0.7
74.65724	0.5
87.00870	0.8
88.00401	2.2
88.98802	100.0
89.02436	8.1
89.99132	1.4
106.86945	0.5
117.37984	0.5
171.10226	0.6
298.74789	0.6
397.13773	0.8
556.41858	0.6
737.88593	0.7
767.37274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.6
61.98815	1.0
69.03452	0.5
71.01376	2.3
78.95901	0.6
80.96510	0.8
83.01366	0.3
85.02938	0.6
87.00890	0.4
89.02431	1.5
101.01868	0.3
101.02425	1.7
113.02449	1.2
119.03472	0.5
122.67278	0.3
134.97699	0.3
149.35458	0.2
150.34300	0.4
161.04597	0.7
167.14297	0.6
179.05664	0.3
183.13879	6.5
184.14288	0.3
193.12363	1.4
211.13377	100.0
212.13733	6.2
225.00810	0.3
228.98087	0.4
235.08176	1.4
253.09273	5.7
254.09499	0.6
277.21698	49.8
278.22021	4.7
353.27545	0.3
429.21057	1.2
447.22324	9.0
448.22769	0.8
513.30804	0.4
707.44116	0.8
754.02570	0.3
764.60272	0.3
767.41577	1.6
768.41504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60733	0.2
60.99302	15.6
69.97064	0.7
81.55873	0.2
82.83643	0.2
87.00870	0.7
87.66863	0.2
88.00391	1.1
88.98801	100.0
89.02442	2.7
89.99133	1.2
278.95297	0.2
324.02222	0.2
435.62189	0.2
440.76044	0.2
618.95343	0.2
677.49670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
60.99305	17.8
61.98825	0.9
62.64074	0.1
68.99565	0.1
70.36375	0.4
70.86160	0.1
71.01395	0.2
87.00871	0.6
88.00392	2.0
88.98802	100.0
89.02435	8.2
89.99145	1.0
203.59344	0.2
211.13364	0.3
250.36969	0.2
277.21838	0.5
397.13422	1.0
398.13934	0.2
415.14496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21164	1.4
57.03437	2.1
58.00602	1.6
59.01381	30.5
59.54453	1.6
60.99292	3.3
61.98831	27.3
68.59812	1.5
70.59427	3.2
71.01383	32.0
72.99298	2.8
73.02953	3.7
73.54655	1.4
76.33588	1.5
81.03464	3.5
83.01396	6.5
83.05045	3.0
85.02933	7.2
87.00897	8.1
88.98810	28.3
89.02445	28.8
95.01428	3.1
97.02959	6.5
97.06584	6.0
99.00879	2.7
101.02441	21.8
113.02468	12.6
116.92893	1.7
119.03520	7.4
121.06586	1.7
123.04533	4.2
125.02432	7.0
125.09760	7.5
131.03505	1.6
135.08215	2.3
137.09756	4.6
143.03497	5.7
161.04558	5.9
163.11292	8.7
165.12807	2.6
171.10254	2.9
179.05623	7.5
181.12428	3.4
185.11806	8.7
191.10799	2.1
191.14435	9.5
193.12387	1.7
207.10249	6.5
209.11835	27.0
210.12149	1.9
211.13284	8.2
221.06631	1.8
225.11319	6.5
227.12924	4.3
235.08324	7.5
237.11264	2.4
245.19075	19.1
246.19661	1.9
248.64978	1.7
253.09351	2.7
263.07697	1.9
263.20096	4.2
271.17087	2.6
289.18088	81.3
290.18405	8.3
305.08813	2.2
307.19138	100.0
308.19516	11.1
397.13489	58.8
398.13803	6.9
410.56192	1.5
415.14514	46.7
416.14978	2.7
513.29211	1.8
607.25763	4.4
687.32751	2.6
705.33185	7.9
785.40240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30735	1.2
62.81544	1.2
63.96222	1.4
66.29382	1.1
71.01374	6.1
71.52917	1.8
73.02943	2.4
74.89815	1.2
78.95892	8.5
78.98580	5.3
79.95734	13.5
80.96516	76.6
87.00874	2.4
94.98086	17.8
96.96023	1.5
96.96976	1.7
97.02983	1.9
101.02415	2.2
106.98065	2.9
109.91901	1.3
122.97577	3.5
125.02411	2.7
134.97594	6.9
148.99120	5.5
152.98592	4.1
152.99664	1.8
164.98616	13.7
179.13922	1.2
183.13843	1.3
187.49664	1.3
206.99643	2.1
211.13422	7.6
225.00725	23.9
226.01187	1.6
241.01039	1.7
255.23230	8.8
368.08453	1.2
479.36566	1.2
509.16714	1.9
537.27747	2.2
765.41052	100.0
766.41418	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	765.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31064	0.1
59.01378	7.2
61.98825	0.4
69.03430	0.2
71.01380	1.3
72.99317	0.3
73.02946	0.4
80.93924	0.1
83.05009	0.2
85.02943	0.3
87.00869	0.2
88.98810	0.3
89.02425	0.8
98.20705	0.2
101.02434	1.3
113.02452	0.7
128.96585	0.1
145.05052	0.2
155.10806	0.2
161.04572	0.6
165.12737	0.2
167.10695	0.2
167.14377	0.5
175.11252	0.2
179.05586	0.4
183.13882	6.2
184.14204	0.4
193.12321	1.4
194.12686	0.2
211.13377	100.0
212.13731	5.5
235.08217	1.5
253.09280	3.0
258.68085	0.1
387.25439	0.6
405.26215	0.2
429.21249	2.1
447.22330	11.8
448.22653	1.2
481.33939	0.2
597.33032	0.4
623.34320	4.3
624.34473	0.7
641.35394	4.4
642.35583	0.9
748.08307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02708	0.5
58.02960	3.4
59.01390	0.6
61.08091	0.5
69.15939	1.3
69.16362	3.9
70.02954	0.5
72.00881	0.6
74.02464	9.3
82.02995	1.1
83.01369	1.8
86.02454	2.8
86.99097	1.2
87.05635	2.1
90.00190	1.1
97.04044	0.7
98.19902	0.9
99.05633	7.4
101.07188	1.1
102.05624	0.7
107.06181	0.9
109.07677	0.6
111.05636	0.8
112.04037	0.8
116.01789	0.9
118.89858	0.5
124.01648	0.5
124.04017	0.9
125.03564	0.9
127.05125	1.2
128.03532	19.4
129.99710	0.6
130.60237	0.5
131.04558	0.5
135.05664	2.5
141.06720	1.6
143.04616	28.5
144.04961	1.0
145.06207	1.2
146.04575	3.0
152.01152	0.7
153.06642	2.2
158.40262	0.5
160.00726	7.3
163.03998	1.9
164.04715	0.7
165.01936	1.0
166.02765	0.8
166.09828	1.4
167.04623	1.6
167.08278	1.2
171.04181	0.6
177.03398	3.4
177.05516	0.9
179.04697	5.1
180.04871	0.6
182.02205	1.6
183.02956	1.6
185.05620	1.6
191.03442	3.1
192.04028	0.7
192.07817	0.7
195.02724	0.6
197.05670	0.7
205.05064	6.9
206.09441	1.9
207.02962	1.8
210.08803	6.1
217.08670	1.0
219.06573	0.8
220.07695	0.6
221.08238	0.7
233.04526	13.4
234.04778	1.0
234.09016	0.9
235.09703	6.7
242.07878	1.0
247.06102	0.6
254.07782	6.2
262.08426	26.1
263.09119	11.9
264.09515	0.8
272.08853	9.4
273.09232	0.9
275.09039	0.9
288.06592	4.4
306.07626	100.0
307.07889	8.1
345.08148	0.9
384.06638	0.6
385.06827	0.7
425.14499	65.0
426.14832	9.0
732.23297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54706	1.2
57.01631	1.2
59.01376	3.0
61.98829	33.0
65.00330	1.8
67.09272	1.1
69.42258	8.8
71.01382	2.0
73.97369	1.3
75.10894	1.1
78.85297	1.0
81.03435	1.7
83.01398	3.9
84.17071	1.1
88.98809	4.1
95.01368	1.7
99.00832	1.9
104.03506	1.4
109.02955	3.7
111.00865	2.0
121.02944	2.4
125.02447	1.7
127.11303	1.3
136.98805	2.3
137.02429	6.7
139.00334	2.5
139.04019	1.2
140.01186	1.4
141.01929	5.3
153.01927	34.1
154.02383	1.2
165.01910	8.7
165.99127	1.8
166.02740	2.1
167.03487	1.7
171.10246	2.6
175.02551	1.8
180.99815	2.9
181.01419	58.8
182.02197	65.9
183.02963	82.6
184.03320	4.0
185.11877	1.5
194.02077	1.5
195.03029	1.5
207.02933	3.9
209.11810	8.0
211.13387	2.6
212.13695	1.5
215.12915	2.6
225.04147	1.7
227.12866	4.9
239.60506	1.3
249.04115	2.1
327.07190	61.9
328.07468	4.1
343.24811	3.3
345.08231	37.8
346.08548	3.8
355.12561	1.3
355.24954	2.0
371.24188	1.3
373.25864	31.4
374.26288	3.1
500.12305	1.3
701.33881	100.0
702.34180	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	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
60.99302	17.0
61.98829	0.7
69.62931	0.5
69.63333	0.2
70.36903	0.1
71.01384	0.2
71.25576	0.1
72.99353	0.1
74.17463	0.1
80.96484	0.1
87.00883	1.0
88.00400	2.3
88.00938	0.2
88.01208	0.2
88.98802	100.0
89.02434	11.3
89.99133	0.9
98.19923	0.1
99.45692	0.1
126.90486	0.2
135.29941	0.1
181.33714	0.1
182.02171	0.1
211.13278	0.3
253.09064	0.1
277.21613	0.4
278.21960	0.1
305.84625	0.1
397.13379	0.8
398.13522	0.2
415.14230	0.3
760.20032	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	760.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04539	1.5
58.02977	16.0
59.01365	3.8
61.98826	8.4
66.03448	1.9
70.47592	5.4
71.01373	5.4
74.02470	33.5
81.04553	3.3
82.02960	5.9
84.04554	2.0
86.02480	13.3
86.06110	3.4
87.00878	1.7
87.05629	8.2
89.02425	1.8
97.04061	5.0
99.05633	28.0
101.02439	2.7
101.07182	7.1
102.05580	6.4
109.04058	6.8
109.07661	1.9
111.05628	3.3
112.04062	3.7
115.00352	2.3
120.01213	2.7
121.58260	1.6
123.05598	5.7
124.07672	2.1
125.02650	2.3
125.03564	15.3
127.05115	7.8
128.03539	91.3
129.03865	2.0
135.05635	7.1
137.07179	2.5
141.06677	3.5
143.04620	94.2
144.04955	2.9
145.06186	4.7
146.04602	9.6
151.05034	2.2
153.06633	5.5
159.55197	1.6
165.12831	2.1
166.09808	5.1
167.04582	7.4
167.08305	10.8
169.06125	2.7
171.10188	2.5
175.02385	4.8
179.04616	25.3
181.06215	3.9
182.02167	5.9
183.02908	7.4
185.05623	2.7
188.85022	1.7
192.07787	4.0
193.13274	1.7
197.05634	2.1
209.11809	10.7
210.08803	22.6
210.62450	1.7
211.13414	2.5
211.27399	1.7
211.41820	1.7
219.02913	2.6
227.12924	1.9
246.89377	1.9
254.07819	45.5
255.08002	2.7
256.11319	4.0
272.08865	100.0
273.09167	4.8
291.19724	4.9
293.21323	2.2
314.09802	2.3
325.18475	10.9
336.13239	2.4
345.08154	4.7
416.29568	1.8
457.17160	3.3
469.23572	3.7
540.19702	2.7
553.19403	2.4
555.19824	1.9
580.26965	13.1
581.26807	4.0
598.27985	93.7
599.28442	16.2
622.27838	2.0
640.28845	6.3
742.32507	3.8
743.32410	2.9
760.33258	59.9
761.34186	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	761.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
65.00326	1.0
68.40391	0.4
68.99809	1.4
69.03464	0.7
69.31249	3.7
70.95242	0.4
71.01369	1.3
75.00878	0.7
77.03983	0.6
78.45684	0.4
83.01388	6.7
83.04990	0.4
85.02959	0.6
89.02460	0.4
93.03456	1.4
95.01400	0.5
97.02946	1.0
98.19910	0.6
99.00885	1.5
105.03454	0.6
108.02171	0.8
109.02954	0.5
110.00092	1.0
111.00872	2.4
113.02480	0.4
121.02941	1.9
123.00800	0.7
125.02444	0.9
129.01941	0.5
136.01659	1.8
137.02451	5.2
139.00383	3.1
139.03996	1.6
140.01154	1.2
141.01942	4.3
149.02399	1.0
151.03957	1.6
152.01141	0.5
153.01933	3.8
155.03563	0.6
164.01158	8.9
165.01913	11.0
165.99007	2.1
166.02545	0.9
166.99837	1.9
167.03529	0.7
177.01921	1.2
178.99843	1.8
179.03517	0.6
181.01418	6.2
182.02200	83.3
183.02965	78.0
184.03297	3.2
191.03497	0.7
192.00630	28.2
193.01410	5.8
194.02109	0.7
195.02950	4.1
197.04759	0.5
205.01404	1.4
207.02969	1.4
207.04942	1.0
219.02977	1.5
220.00119	20.0
221.00893	49.8
222.01317	2.9
224.02942	0.5
232.75598	0.4
234.01706	0.9
235.02434	2.8
241.06496	0.4
245.00929	0.5
246.01447	0.5
247.02553	0.6
250.01236	0.7
251.01825	0.6
252.02737	6.9
263.02045	1.0
303.07129	0.9
327.07327	0.5
345.08234	64.4
346.08633	4.6
358.03094	0.8
383.06168	100.0
384.06494	8.3
410.15024	0.5
415.08792	50.8
416.09052	4.1
503.26721	0.5
549.08899	3.1
729.15143	19.5
730.15460	3.8
755.09204	0.5
761.18170	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	761.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41298	14.1
59.01373	19.1
61.98823	56.3
78.95867	22.8
98.20665	46.7
106.33550	16.3
118.46682	16.9
124.33904	15.6
185.11821	81.1
208.96481	19.7
211.13449	87.4
277.21683	100.0
474.99655	17.3
761.42731	67.3
762.42120	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31599	10.5
59.86453	10.2
61.98820	54.7
71.05219	20.8
78.95905	15.3
79.40700	10.7
112.98547	14.5
134.63852	11.3
172.87761	9.8
181.46227	10.9
185.11819	41.6
196.89413	14.8
211.13333	30.4
253.09363	11.7
255.23398	12.0
277.21744	100.0
278.21976	14.0
318.52570	13.3
761.42865	47.0
762.43799	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	764.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95882	0.7
58.02961	2.5
66.48559	0.7
74.02458	7.1
74.40713	0.6
82.02917	1.0
83.01379	1.8
84.18443	0.7
86.02456	2.4
87.05625	1.2
97.04045	0.9
99.05650	5.9
101.07201	1.1
102.05626	1.5
105.49828	0.7
109.04027	0.9
111.05640	1.0
127.05111	1.5
128.03534	17.1
129.03891	0.8
135.05653	2.1
141.06696	2.2
143.04616	25.8
144.04976	0.7
145.06186	1.4
146.04559	2.4
150.11607	0.7
152.01164	0.7
153.06700	1.9
160.00729	7.3
163.03941	1.9
164.04662	0.7
164.70821	0.7
165.01895	2.1
166.02676	0.7
166.09874	1.6
167.04628	1.5
167.08261	1.2
170.03349	0.9
177.03372	2.6
179.04652	4.3
181.06248	0.9
183.02925	1.0
185.05627	1.2
191.03468	3.2
205.05054	6.7
206.09465	2.0
210.08830	6.9
233.04518	11.9
233.08144	1.2
234.04898	1.1
234.09004	1.3
235.09695	8.3
236.09995	0.8
242.07712	0.8
254.07794	6.9
261.07617	0.8
262.08429	27.8
263.09131	10.8
264.09430	1.0
265.68314	0.7
272.08841	9.6
272.11600	1.1
288.06607	4.1
306.07632	100.0
307.07898	5.9
326.75522	0.9
345.08359	1.1
425.14490	63.9
426.14761	8.5
661.31641	0.8
732.22986	1.3
798.89117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	1.2
59.01377	23.3
61.98838	4.7
70.09859	3.5
71.01353	2.6
73.02940	1.8
78.95914	1.4
85.02927	1.3
87.00879	1.7
89.02440	2.2
95.01399	1.3
99.00889	3.6
101.02421	3.3
113.02423	1.1
125.09692	3.7
127.11263	3.0
133.60576	0.9
134.89442	2.0
135.89465	1.3
136.89186	6.3
145.05040	0.8
145.74467	0.9
152.99550	1.0
161.04558	2.3
163.11212	2.7
164.41725	0.9
165.09224	1.6
171.10309	1.5
181.12370	4.4
197.11797	0.9
199.09795	1.4
199.13441	5.9
201.11313	33.5
202.11559	2.2
207.10252	6.2
209.11871	1.0
225.11319	13.0
225.71098	0.9
235.08156	4.1
243.12326	3.0
253.09286	6.3
277.21710	67.6
278.22092	6.4
443.19138	1.6
536.87006	0.9
721.42035	4.2
739.42523	7.4
740.42719	2.2
757.43713	100.0
758.43982	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	2.0
59.01377	28.2
60.45552	1.1
61.98815	6.1
70.99620	2.7
71.01367	5.7
78.95892	2.3
93.32459	1.3
93.90495	1.5
99.00853	4.1
101.02416	3.7
110.17111	1.2
113.02423	2.2
115.28827	1.3
115.33970	1.3
125.09706	5.4
127.11264	5.9
130.39905	1.2
134.89487	8.8
135.89433	1.3
136.89172	23.8
137.89018	1.3
138.43825	1.2
155.10764	2.5
161.04498	1.6
163.11290	2.7
165.09109	1.7
171.10207	4.1
181.12314	6.2
183.10278	2.0
199.09706	2.6
199.13367	7.2
201.11313	68.5
202.11639	4.0
207.10240	8.6
217.14311	1.6
225.11290	22.3
226.11725	1.6
243.12357	8.5
253.09181	6.5
277.21689	35.6
278.22000	3.3
279.67780	1.6
346.30609	1.4
396.46060	1.3
437.20313	2.3
461.20212	5.0
739.42328	6.0
757.43695	100.0
758.43964	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	759.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	39.0
67.25660	11.7
68.99552	34.6
78.95903	40.3
80.96507	31.9
112.98550	39.1
127.84089	13.6
140.38512	11.2
152.16530	10.9
152.99597	17.7
164.98482	13.5
171.10191	13.9
197.11798	28.7
199.13513	13.7
209.11827	42.9
227.12866	37.6
255.23270	63.9
277.21719	82.8
283.16016	12.3
362.94211	13.1
442.02512	14.3
513.29938	19.9
723.43286	23.9
759.41510	100.0
760.43964	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	759.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.3
61.98824	12.2
68.74283	1.1
69.00940	0.8
69.03488	1.0
69.67101	1.0
70.29383	3.7
71.01393	5.0
73.39529	1.0
79.56866	1.0
79.75386	0.9
83.05014	1.1
84.95097	1.1
89.02428	1.4
95.96562	0.9
99.92603	1.5
101.02441	2.7
105.90424	1.1
111.08158	3.3
113.02418	1.3
116.92853	6.6
125.02445	1.5
125.09743	1.7
127.11302	0.9
169.12323	2.5
171.10258	100.0
172.10536	4.6
175.41896	0.9
182.02258	1.2
183.02933	1.2
190.58928	1.0
197.11835	17.3
199.13460	1.3
209.11897	1.5
211.13437	2.4
235.08162	5.2
253.09302	10.1
254.09525	1.4
263.20383	1.1
279.97424	1.0
291.19614	14.8
292.19968	1.7
306.07425	1.3
309.20682	33.9
310.21027	2.9
326.12759	1.0
345.08240	1.4
407.19186	4.0
463.30121	1.0
489.60159	1.1
527.28491	2.2
545.29956	1.5
782.05145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	10.6
61.98828	26.2
69.23943	61.2
71.01387	8.2
78.95903	13.4
83.03275	6.3
85.15146	7.6
87.00898	8.6
88.98788	19.6
97.72879	6.6
98.19935	14.7
101.02383	7.7
113.96384	7.1
117.58468	8.3
207.10326	8.7
209.11786	100.0
225.11327	19.3
227.12819	11.9
253.09219	11.1
255.23241	25.6
277.21713	97.4
278.22003	10.4
296.28986	9.4
721.41370	13.6
757.39471	46.9
758.40869	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.5
59.70085	16.0
61.98827	82.2
71.45185	13.4
88.98821	17.5
94.68467	14.6
98.20753	31.3
152.99593	19.3
167.75443	16.8
209.11801	36.6
225.11290	29.2
229.51530	17.2
239.12917	34.0
255.23273	100.0
277.21634	31.2
300.98569	15.7
461.19861	16.6
466.40689	14.9
757.40015	70.1
758.41150	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50022	0.5
57.03439	0.8
59.01379	13.9
60.01694	0.7
61.98821	3.7
71.01385	3.2
71.52188	0.9
73.02937	0.9
78.95905	1.0
81.03433	0.8
89.02462	1.7
97.02946	1.0
97.06591	1.4
101.02435	2.7
113.02478	1.4
118.41825	0.6
123.04536	1.4
125.09685	3.3
127.11284	1.5
133.05089	0.8
137.09743	1.6
149.89429	0.6
163.11278	1.6
171.10260	100.0
172.10614	4.8
185.11829	2.7
191.14450	2.5
207.10222	1.4
209.11862	6.1
211.13322	1.1
225.11360	1.2
227.12923	0.8
235.08194	2.8
237.11363	1.5
245.19028	4.6
251.47806	0.7
253.09280	7.3
263.20209	1.2
271.16916	0.8
289.18079	29.3
290.18539	3.9
293.21295	0.8
307.19138	28.1
308.19461	2.8
337.75558	0.8
407.19336	1.2
480.84512	0.7
525.26978	1.7
543.27997	1.0
718.53156	0.7
757.44409	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
59.01374	8.1
61.98837	4.7
69.13186	7.2
71.01379	100.0
72.01756	0.8
72.22398	0.8
73.02951	1.5
78.30359	0.7
78.95897	2.1
85.02944	1.1
85.59894	0.8
87.00883	1.5
89.02463	1.5
97.02940	1.0
101.02451	3.4
102.79488	0.7
109.06583	5.1
113.02461	2.2
117.71223	0.8
125.09727	2.0
127.11298	2.2
130.30688	0.7
134.89462	14.8
135.08270	0.9
135.89539	1.3
136.89136	1.1
145.04977	0.7
152.99640	0.8
153.09174	1.2
161.04562	1.8
162.98500	1.0
163.11282	2.6
171.10263	70.2
172.10616	3.6
181.08653	1.4
181.12346	1.6
197.11819	1.5
199.09772	9.3
201.11345	7.9
207.10231	10.9
208.10794	0.9
215.12883	4.3
216.13197	1.2
225.11307	7.4
235.08260	3.5
253.09312	9.9
253.21660	1.2
259.05023	0.8
277.21701	89.8
278.22079	10.2
279.22510	1.3
380.53601	0.8
435.18680	0.9
461.20554	2.1
473.24362	0.7
647.09698	0.8
683.48853	0.8
721.41846	2.9
722.41815	0.8
757.43646	8.4
758.43524	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	752.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35998	0.1
55.11435	0.1
56.41839	0.1
57.02189	0.1
59.01374	0.3
61.98829	100.0
62.98531	0.1
71.01398	0.3
71.52455	0.2
71.84078	0.2
78.95908	0.2
80.96512	0.3
83.01410	0.2
83.78107	0.1
96.41627	0.1
96.96017	0.5
101.02445	0.3
112.98578	0.2
113.02464	0.2
116.92876	0.2
119.08698	0.1
125.09715	0.2
135.08185	0.2
161.09627	0.1
167.19579	0.1
171.10312	0.8
182.02257	0.2
183.02930	0.2
183.13898	0.2
185.11800	0.7
185.52576	0.1
186.12300	0.3
197.11877	0.4
206.53978	0.2
207.10283	0.3
209.11841	2.0
210.12140	0.3
211.13354	2.4
212.13771	1.0
225.11395	0.5
227.12897	0.4
235.08250	0.2
253.09421	0.5
289.18219	0.4
307.19318	0.2
309.20792	0.3
448.22726	0.3
449.07056	0.2
735.40558	0.1
752.34174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	3.5
71.51882	0.8
97.02965	0.9
120.54072	0.6
121.02907	0.7
137.02420	2.0
139.00365	0.8
141.01938	1.9
153.01889	1.0
165.01935	4.3
166.99843	0.8
181.01404	2.9
182.02194	55.8
183.02974	59.1
184.03262	1.8
195.02965	2.1
308.67810	0.8
345.08240	100.0
346.08636	8.2
368.86206	0.7
413.80469	0.8
583.31848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
59.56386	0.2
60.65635	0.2
61.98829	100.0
63.99251	0.3
66.09341	0.2
66.25845	0.2
71.01390	0.7
71.51990	0.2
79.95743	0.7
80.96510	2.5
83.01363	0.2
89.02438	0.3
94.98092	0.8
96.96011	1.5
101.02448	0.4
116.92883	0.8
134.89510	0.2
148.99097	0.3
157.52480	0.2
160.84227	0.2
163.03947	0.3
171.10295	0.5
182.02144	0.3
183.02931	0.3
197.11929	0.2
209.11891	1.0
211.13358	0.4
225.00783	0.8
226.00966	0.2
226.14645	0.2
227.12849	0.3
248.24469	0.2
253.09335	0.4
263.83093	0.2
267.66806	0.2
327.21780	0.4
345.08337	0.4
409.97205	0.2
468.98615	0.2
615.85687	0.2
754.34277	3.7
755.34613	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	755.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71773	1.0
59.01373	7.9
61.98827	2.3
63.27349	0.8
70.86586	1.1
71.01364	1.8
71.67583	1.1
77.91976	1.0
87.83233	1.1
89.02418	1.0
90.11931	0.9
93.01653	1.0
98.20845	1.6
101.02456	1.5
104.48083	0.9
115.93290	0.9
148.38162	0.9
151.11273	1.8
169.12335	54.5
170.12732	1.4
171.10258	14.5
196.51009	1.0
201.56006	1.4
213.11089	1.3
235.08179	3.4
253.09203	5.9
277.21704	100.0
278.22089	10.2
405.21344	2.6
483.31104	1.0
513.30322	3.5
709.41541	10.3
710.41925	1.9
727.42834	10.6
728.43347	2.3
755.41797	6.1
756.42151	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	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
61.49834	1.2
61.98822	1.4
69.03459	1.2
71.01363	3.0
71.55488	1.4
78.95863	1.9
89.47479	1.1
100.96507	1.2
127.39180	1.3
145.05002	1.3
151.11237	3.1
169.12331	100.0
170.12662	5.0
171.10274	25.4
213.11250	1.5
228.99774	1.2
235.08151	5.4
253.09338	8.3
277.21704	69.3
278.22000	6.4
405.21179	9.4
407.19131	1.7
449.20657	1.7
502.91473	1.4
513.30481	2.0
655.50012	1.4
665.42908	2.4
709.41583	16.6
710.42261	3.4
727.42841	12.5
728.42749	2.1
755.41901	8.9
756.42230	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	757.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01028	0.2
59.01356	0.5
61.98821	2.2
70.07289	1.1
73.09592	0.2
73.51600	0.3
78.95897	0.6
98.54660	0.3
99.92599	1.4
130.11958	0.2
132.90009	0.5
134.89473	100.0
135.88458	0.3
135.89474	6.0
136.24849	0.3
147.49904	0.3
171.10315	0.4
198.15918	0.3
199.63443	0.3
200.56451	0.3
223.45891	0.3
253.09277	0.3
277.21741	0.5
278.21887	0.4
300.85651	0.3
757.44037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.8
61.98828	100.0
63.99229	3.1
69.44720	7.2
69.45145	11.9
71.01380	5.8
80.85431	2.8
82.95432	5.5
83.05059	2.6
85.02932	3.8
87.00870	4.3
96.96011	13.4
98.19871	3.3
101.02452	4.1
113.02425	2.7
116.92828	5.7
137.09717	3.5
145.39987	2.7
167.10744	4.9
169.12335	3.0
171.10272	8.3
175.02318	2.9
183.10339	3.4
183.13814	6.1
185.11882	3.4
193.12383	3.1
197.11829	7.2
209.11792	25.9
210.12178	4.7
211.13382	79.3
212.13734	6.4
227.12904	5.7
229.14478	5.7
235.08131	5.2
253.09221	16.8
291.19666	4.5
309.20639	5.8
327.21722	30.2
328.22162	3.2
400.75031	3.1
447.22174	8.6
545.29523	3.3
576.90564	3.4
587.22479	2.7
727.05756	3.5
757.38849	28.2
758.38879	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	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98829	2.0
68.99583	0.2
69.03438	0.3
71.01387	1.3
71.35372	0.3
72.99303	2.9
75.00870	100.0
76.01215	1.1
76.44840	0.2
78.97661	0.2
82.44585	0.2
87.00864	0.3
89.02449	0.9
90.78709	0.2
97.07857	0.2
101.02421	1.0
109.06628	0.3
111.00864	0.2
113.02446	0.4
115.14768	0.2
119.03456	0.4
125.02452	0.6
132.60687	0.2
136.54445	0.2
141.01982	0.3
142.62094	0.2
143.03581	0.2
161.04451	0.3
165.01913	0.3
165.99068	0.2
179.05534	0.3
181.01506	0.4
182.02202	3.8
183.02979	4.0
189.60979	0.2
197.11899	0.2
211.13477	0.2
225.11182	0.3
235.08195	0.7
277.21686	3.5
278.22079	0.5
280.72150	0.2
291.19757	0.4
305.08701	0.3
397.13489	6.7
398.14032	0.6
415.14478	2.5
637.28467	4.0
638.29395	0.8
675.35486	0.5
751.38873	0.4
773.00519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40128	0.6
59.01373	6.8
61.98828	100.0
63.42650	0.7
64.20338	0.6
66.13215	0.6
68.13815	0.6
69.27776	5.8
70.46101	0.6
71.01376	8.3
72.99306	1.1
73.02952	1.2
75.00876	1.3
79.09779	0.7
79.95748	0.7
80.96517	2.0
83.01394	1.4
85.02945	1.2
87.00877	1.4
88.98763	1.0
89.02438	5.7
89.22755	0.7
101.02446	6.2
101.16248	0.7
113.02450	2.2
115.00331	0.7
119.03490	1.7
125.02456	2.0
143.03520	1.0
161.04585	0.8
171.10320	0.9
175.02559	1.0
179.05540	0.8
183.03014	1.4
185.11842	1.3
195.13937	3.4
197.11781	1.5
209.11778	4.3
211.13393	10.4
223.13478	2.5
227.12863	1.3
228.13644	1.0
230.15582	0.7
235.08220	1.8
253.09326	0.7
275.20193	2.1
293.21213	47.2
294.21500	4.3
341.65829	0.7
345.08121	0.8
351.09137	0.8
355.00296	0.7
382.23782	0.9
397.13477	12.2
398.13889	1.1
415.14554	17.8
415.19876	1.2
416.15125	1.5
505.09619	1.0
691.35449	2.6
751.32831	2.2
752.34814	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	752.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	5.1
66.03461	0.8
70.02987	0.8
71.51955	0.7
74.02470	11.7
86.02472	4.8
86.99105	1.0
87.05637	2.0
87.85284	0.6
90.00192	1.3
96.97009	0.6
97.04088	0.8
99.05631	8.6
101.07201	1.4
102.05582	1.5
102.71817	0.7
108.80659	0.6
109.04049	0.9
111.05663	0.9
112.04047	1.0
113.03486	0.6
116.01709	1.2
123.04562	1.1
123.05588	1.6
127.05111	2.0
128.03535	30.5
129.03903	1.0
135.05679	1.4
135.34660	0.7
141.06731	3.0
143.04619	41.2
144.05003	0.8
145.06198	1.6
146.04556	3.5
153.06712	3.1
155.08253	1.1
159.99500	1.0
160.00734	12.0
166.09872	2.0
167.03453	2.3
167.04614	1.8
167.08284	1.3
171.04143	0.7
177.03377	3.9
179.04614	9.5
185.05679	2.1
197.05650	1.7
199.78487	0.6
210.08801	9.4
222.93365	0.7
228.09814	1.2
242.07715	1.3
254.07739	8.3
272.08853	11.0
277.61966	0.8
288.06573	4.8
306.07626	100.0
307.07925	4.9
308.29761	0.7
308.58942	0.7
404.14944	42.9
405.15240	4.6
526.63104	0.8
531.63690	0.6
670.35602	0.7
707.07526	0.7
720.93439	0.7
759.71521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51547	0.4
69.03454	1.2
69.31414	3.3
70.62463	0.4
74.18895	0.4
77.03973	1.4
79.01917	0.6
83.01387	1.0
93.03455	2.9
95.01398	1.6
96.95992	0.7
97.02946	10.1
109.02960	1.4
120.45141	0.4
121.02953	9.2
123.00865	1.0
135.00858	0.6
137.02437	32.7
138.02794	1.2
150.79282	0.4
151.00375	1.2
153.01842	0.7
163.00360	1.1
165.01915	100.0
166.02260	4.5
197.04538	30.8
198.04883	1.5
203.12862	1.0
209.00883	1.6
211.03998	0.6
223.02466	0.6
223.97893	0.4
227.03476	22.2
228.03853	1.9
229.04929	0.6
245.13838	0.6
255.02963	29.9
256.03519	3.2
257.04446	0.7
284.03241	40.8
285.03870	8.8
286.04355	0.5
301.03494	25.2
302.03894	1.9
327.04822	0.5
333.06125	37.5
334.06348	3.4
345.08209	0.5
417.08240	68.4
418.08545	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	751.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
65.00343	0.3
68.77227	0.4
71.52360	0.5
74.95019	0.4
78.92693	0.5
109.03004	0.4
109.96104	0.5
121.02993	0.6
125.09673	0.4
127.11267	0.5
137.08754	0.8
137.09717	7.0
138.10016	0.5
151.00375	2.2
155.10770	73.7
156.11107	3.4
163.00294	0.5
167.42303	0.4
171.10252	13.8
172.10631	0.6
178.99828	1.0
179.23898	0.4
181.08707	1.5
199.09744	24.6
200.10094	1.4
217.10791	72.4
218.11174	3.6
243.02997	1.5
255.02979	4.0
259.11838	100.0
260.12170	6.7
271.02475	5.9
272.02820	0.7
300.02707	11.3
301.03491	8.8
302.03696	1.0
303.10764	0.7
382.60321	0.4
447.09293	13.1
448.09836	1.5
496.08456	0.4
760.82391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30416	1.1
59.01401	1.0
61.98816	4.0
65.00317	2.8
69.03451	1.2
69.90236	1.1
71.01379	1.6
71.06680	2.2
81.03429	1.7
82.95403	3.5
83.00944	1.1
83.01376	6.6
83.38415	1.0
93.03436	1.1
97.02915	1.3
99.00875	2.0
109.02953	5.0
110.00089	1.4
111.00884	5.3
119.05035	9.6
121.02915	2.9
123.00856	1.6
135.00873	2.0
136.98811	5.8
137.02428	9.0
139.00356	4.1
139.04019	1.1
141.01915	4.3
149.02417	1.3
151.04005	1.4
153.01926	48.5
154.02249	1.2
163.03990	8.0
165.01933	9.4
165.99031	3.1
166.02650	1.8
166.99738	1.7
167.03471	2.9
177.01843	0.9
181.01422	52.7
182.02196	91.7
183.02968	79.2
184.03264	3.6
195.02994	2.0
207.02916	4.3
234.01683	4.5
235.02391	3.6
245.04681	1.1
277.21765	4.6
309.06076	11.9
310.06665	1.3
327.07208	7.6
329.06595	2.1
587.18982	2.1
587.28540	57.2
588.28839	12.0
605.29620	100.0
606.30035	17.2
612.97968	1.1
657.29010	4.3
751.32819	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	751.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17254	0.4
59.01376	1.3
61.72522	0.4
61.98821	1.1
69.76924	1.9
71.01378	1.2
72.99316	3.0
73.54987	0.4
75.00872	100.0
76.01209	0.9
80.83906	0.4
85.02986	0.7
89.02460	0.9
101.02447	1.4
105.80267	0.4
113.02485	0.7
125.02480	0.5
135.10442	0.4
161.04602	0.4
182.02225	1.0
183.02832	0.8
191.75681	0.4
197.11852	1.2
223.13223	0.4
225.11609	0.4
235.08325	0.5
250.33832	0.4
262.28464	0.4
277.21762	3.0
278.22079	0.5
291.19763	0.8
333.08105	0.4
397.13495	7.9
398.13486	0.4
415.14572	3.1
427.41821	0.4
440.29657	0.4
517.49060	0.4
637.29053	0.6
751.39099	2.1
752.39081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98805	0.4
70.70535	1.3
71.01373	0.8
75.00855	0.6
79.01884	3.3
80.02266	0.4
81.03464	0.8
83.01390	3.1
95.01352	0.5
97.02944	0.7
99.00887	0.8
109.02967	1.0
111.00888	0.9
117.22468	0.4
121.03008	0.5
123.00860	1.3
123.04524	0.7
125.02454	1.7
128.37787	0.4
137.02440	7.1
138.03232	24.1
139.00348	0.6
139.03987	0.9
140.01178	0.5
141.01950	1.4
149.02425	1.0
149.80945	0.5
151.00378	2.3
151.04010	1.6
152.01178	0.7
153.01921	2.5
161.02466	0.5
163.04118	0.5
164.01132	0.8
165.01898	4.3
166.02715	9.9
166.99821	0.6
167.03493	11.7
170.02205	12.4
171.02617	0.4
177.01981	2.0
178.99884	0.6
179.03503	0.7
181.01414	1.8
182.02216	29.9
183.02979	27.2
184.03311	1.0
192.00607	2.3
193.01418	1.3
193.04955	0.6
194.02203	32.4
195.02988	13.4
196.03337	0.8
207.02995	1.1
207.04831	0.7
217.68376	0.4
219.02939	0.5
220.00146	1.6
221.00975	3.4
221.04622	0.6
224.03210	0.5
238.01181	1.4
251.65199	0.4
252.23717	0.5
280.08984	0.5
299.01910	1.0
315.07147	0.6
329.08682	0.7
345.08261	18.2
346.08554	1.7
357.08267	26.7
358.08517	1.8
383.06119	11.1
384.06546	1.2
401.07214	100.0
402.07581	8.0
450.52887	0.5
549.08746	0.6
586.91760	0.5
729.15222	3.2
730.15472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57915	0.4
58.86517	0.4
59.01381	0.6
61.98806	0.7
63.96247	1.4
69.03459	0.6
71.01382	6.6
72.99252	0.4
73.02946	1.6
78.95893	0.8
78.98586	5.7
79.95737	12.8
80.96517	70.5
81.03464	0.4
83.01389	0.6
85.02929	2.3
85.09138	0.4
87.00871	1.9
94.98083	15.9
96.20867	0.4
96.96011	1.6
97.02942	1.3
99.00850	0.5
101.02457	2.3
106.98103	2.9
122.97591	4.4
125.02438	3.7
127.04025	0.7
134.97589	5.2
136.99152	2.0
148.99138	6.4
152.17029	0.4
152.98636	5.9
164.98611	11.6
206.99651	2.4
211.13446	1.0
225.00732	17.9
226.00989	0.6
255.23268	1.6
493.17581	3.4
537.27423	1.5
573.13641	0.5
749.41455	100.0
750.41736	24.4
767.50153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.5
61.98818	1.0
69.03454	0.7
69.18039	3.4
69.18462	2.6
71.01376	1.1
74.02470	7.6
82.02976	1.6
83.01379	1.9
86.02497	3.4
87.05645	2.9
90.00165	1.0
93.03456	0.6
95.01390	0.8
96.96014	1.7
97.02966	3.3
99.05631	7.6
101.07232	1.0
102.05611	1.2
109.04086	0.9
111.00871	0.9
112.04062	1.2
121.02976	3.6
127.05118	1.6
128.03531	20.2
134.89107	0.6
135.05565	1.5
137.02434	11.2
141.01968	1.3
141.06697	2.1
143.04620	28.7
145.06183	1.5
146.04587	2.6
153.01892	1.1
153.06667	2.4
160.00737	9.1
163.04036	1.1
165.01920	37.2
166.09857	1.4
167.04575	1.9
177.03389	2.3
179.04649	6.8
181.01425	2.3
182.02191	28.9
183.02960	26.8
184.03293	1.1
191.03499	1.9
192.07750	1.3
195.02905	1.1
197.04475	9.2
205.05075	4.1
206.09375	1.1
207.03018	0.9
210.08839	6.4
219.10349	0.6
227.03474	7.2
233.04553	9.0
234.08984	1.0
235.09686	4.2
242.07845	1.0
254.07817	6.4
255.02951	10.9
256.03766	1.2
262.08429	17.9
263.09183	8.3
272.08820	9.8
284.03271	13.0
285.04028	2.7
288.06580	3.9
301.03485	8.8
306.07626	100.0
307.07947	7.8
324.16083	0.7
333.06107	11.1
345.08218	54.2
346.08588	4.0
404.14923	12.0
405.15280	1.3
417.08249	23.6
425.14493	38.2
426.14731	5.3
447.09692	0.9
551.30756	1.3
552.31262	1.5
645.53992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
59.01379	1.4
59.19932	1.1
61.98831	1.8
71.52065	1.0
71.52419	1.3
73.59019	1.1
83.01375	4.8
93.03430	4.3
97.02944	1.6
100.98147	1.1
108.02163	3.8
109.02953	20.0
112.44952	0.9
121.02972	6.6
122.03747	1.9
123.00897	1.6
123.04541	6.7
123.33276	1.0
125.02444	93.1
126.02756	2.5
131.05017	1.2
133.02905	3.2
135.04485	4.6
137.02426	15.0
139.03969	2.0
145.02930	4.4
149.02437	9.1
150.03043	1.0
151.03989	8.2
153.01941	2.6
159.04477	4.8
161.02397	3.2
161.06061	3.5
163.00336	2.8
163.03931	2.6
164.01158	2.5
165.01875	5.2
167.03432	1.6
169.01407	13.6
175.00291	2.7
175.03984	8.5
176.01106	1.5
177.01924	80.6
178.02278	3.0
179.03471	3.0
183.04547	1.4
185.05995	2.1
187.04002	5.9
188.04640	1.7
189.05385	1.6
191.03493	2.4
193.01414	1.7
197.05956	1.2
199.03996	2.2
201.01883	1.5
201.05484	1.2
203.03397	1.3
203.07153	5.8
205.05032	4.2
211.03905	1.8
213.05504	1.4
215.03416	1.6
217.01297	1.5
217.05026	2.9
219.02972	1.7
225.05579	1.1
226.06332	3.6
227.03430	2.4
227.07018	4.0
228.04111	1.9
229.04987	2.4
231.02893	1.5
243.02979	9.9
245.08167	8.2
253.04956	2.4
255.02986	14.0
255.10243	22.4
256.03699	6.3
256.10550	1.7
257.04501	2.6
259.02991	1.1
259.05838	2.0
261.04037	3.2
269.04443	2.6
271.06128	8.2
272.06421	2.4
281.04568	3.0
283.02356	2.6
285.04053	4.5
289.07169	45.2
290.07416	4.1
297.03992	1.5
301.03482	2.3
303.05099	12.0
306.07443	1.3
315.05048	2.2
339.08578	2.7
343.08130	16.9
363.08939	1.9
381.09753	2.2
389.06735	6.2
401.20190	1.1
407.07712	100.0
408.07977	11.1
425.08670	3.6
436.07648	1.2
441.08218	13.0
442.08600	1.7
449.08594	3.7
467.09760	11.7
559.08899	9.0
575.11920	4.9
576.11810	1.3
577.09668	3.9
593.13104	12.3
594.13080	1.8
619.10950	4.1
620.11237	1.2
745.14191	7.4
746.13934	2.9
757.45465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38118	7.7
56.22725	6.8
61.98827	24.2
70.19650	7.5
71.50815	7.8
71.51235	9.7
78.95900	88.5
79.87912	8.9
79.95732	8.4
84.89735	7.9
89.25798	7.5
94.65145	7.1
136.89142	14.4
152.99541	58.0
161.02405	9.3
171.10304	10.6
211.13379	27.6
213.67441	8.1
253.21738	11.1
277.21814	29.3
278.22031	24.0
279.23212	33.7
281.24768	14.1
295.22897	12.5
311.22217	8.6
431.22354	10.6
506.25955	16.5
507.26932	43.7
675.99475	9.7
743.46045	100.0
744.45496	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	745.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.0
61.98823	4.8
65.00302	1.0
66.09209	0.9
69.03447	1.4
69.22340	0.8
81.03459	2.8
83.01383	3.6
93.03468	1.7
95.01362	1.3
95.05013	1.9
97.02963	4.0
105.03413	0.8
107.05026	1.2
108.02201	0.8
109.02942	18.5
119.05013	4.7
121.02930	5.7
123.00860	1.6
123.04512	11.1
124.01653	1.5
125.02442	100.0
126.02749	3.3
131.04979	1.4
131.68001	0.8
133.02921	2.0
134.03719	1.1
135.04475	2.6
137.02438	21.0
139.04001	2.7
146.03601	0.8
147.04507	1.6
149.02443	7.6
149.06102	1.2
151.00323	0.9
151.03996	10.9
157.59627	0.9
159.04504	3.4
161.02405	7.8
161.06050	3.2
163.00334	2.5
163.03998	11.6
164.01108	2.5
165.01921	4.3
167.03514	6.7
169.01424	20.3
171.04485	0.9
175.03986	12.7
175.07594	1.7
175.34723	0.9
176.01225	1.0
176.04469	0.9
177.01921	71.6
177.05415	2.5
178.02338	3.2
179.03503	3.9
185.06033	1.7
187.04021	8.0
188.04672	2.3
189.01930	2.3
189.05553	2.2
191.03586	1.0
191.05553	3.8
193.05017	2.0
197.05949	1.2
199.03926	3.0
201.01848	1.6
201.05525	2.6
203.03450	1.9
203.07140	6.0
205.05029	4.9
211.04037	1.9
212.72121	0.9
213.05432	1.9
215.03462	2.0
217.05025	4.3
219.06609	1.1
221.08203	0.8
225.05658	1.1
227.03442	1.0
227.06946	1.3
229.05109	5.4
231.02925	2.3
231.06516	1.4
241.05081	3.1
242.05598	1.1
243.02864	4.1
243.06566	3.7
245.04478	1.5
245.08116	9.8
247.06154	1.7
253.04916	1.6
255.02994	7.2
255.06686	1.3
256.03625	3.7
257.04422	2.4
259.06158	1.4
261.03952	3.4
269.04425	2.1
271.06149	1.8
273.03967	6.7
279.08755	1.0
281.04535	3.0
283.02515	1.8
283.05942	0.9
284.03137	1.2
285.04068	24.2
286.04498	2.2
287.05539	2.5
289.07166	40.8
290.07404	2.5
293.12265	1.0
297.03967	3.0
297.07410	1.2
298.04630	1.2
299.05524	1.8
301.07007	1.0
303.05063	14.2
315.05048	2.3
315.08688	1.4
319.04477	6.7
327.04965	1.8
329.02838	1.2
339.08655	3.2
341.06696	1.0
359.07642	1.3
381.09750	3.2
391.04178	1.3
407.07700	49.8
408.08112	6.6
419.07739	1.8
423.07101	6.2
424.07797	1.1
425.08752	35.0
426.09100	5.2
431.07596	1.2
437.08707	11.1
438.08838	1.8
441.08716	4.5
449.08688	14.4
450.08984	1.3
453.08197	1.6
467.09763	10.6
515.05157	0.9
531.13104	1.8
557.10645	1.8
575.11816	15.0
576.12274	2.5
593.12964	45.1
594.13275	8.5
745.14087	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	741.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72665	0.4
59.01380	2.1
62.58377	0.4
66.82822	0.4
69.84850	0.9
69.85222	1.9
78.95902	34.6
79.34404	0.5
96.96969	2.7
98.20657	0.7
128.55191	0.4
141.01680	0.9
152.99585	43.7
153.99873	0.5
163.67673	0.4
171.00621	4.5
198.51028	0.5
227.03210	5.0
245.04286	1.1
253.21719	30.2
254.22043	2.4
255.23245	1.1
259.20584	0.7
275.20184	0.6
277.21707	89.0
278.22012	8.1
278.24896	0.5
281.24570	0.9
292.32397	0.5
324.37024	0.5
375.25488	0.5
413.21057	3.0
483.27127	0.8
487.24643	1.3
505.25711	100.0
506.26007	12.6
621.70789	0.5
741.47064	33.2
742.47534	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	741.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
78.95901	33.2
96.96975	2.5
98.20654	1.6
114.59144	0.6
150.98029	0.6
152.75189	0.6
152.99576	44.3
153.99951	1.1
171.00635	3.7
227.03261	4.4
233.22635	0.9
245.04318	1.4
253.21710	30.1
254.21986	2.7
255.23203	1.5
277.21698	83.0
278.22049	7.5
279.23419	1.4
280.23599	0.9
281.24774	2.5
282.25143	0.7
337.06390	0.6
400.90460	0.6
413.21042	2.8
424.60803	0.6
448.86578	0.6
483.27301	1.8
487.24402	1.8
505.25702	100.0
506.25995	12.9
741.46942	34.7
742.47314	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	742.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.99304	0.2
61.98827	100.0
62.98514	0.1
71.01380	0.5
80.07973	0.1
85.02969	0.1
85.77523	0.1
87.00887	0.1
88.98797	1.2
89.02415	0.3
101.02454	0.4
106.22243	0.1
113.02459	0.1
120.97889	0.1
125.89021	0.1
163.11334	0.2
171.10359	0.2
201.11322	1.8
201.49902	0.1
202.11691	0.5
209.11807	3.6
210.12204	1.5
212.95561	0.1
226.11818	0.1
227.12872	0.4
228.13330	0.2
235.08051	0.2
247.10574	0.1
253.09351	0.6
254.09593	0.1
277.21707	2.5
278.22055	1.7
279.22269	0.1
282.25369	0.4
283.25711	0.1
310.28351	0.1
397.13608	0.2
398.13812	0.2
399.14139	0.4
400.14355	0.2
415.14523	0.1
425.35526	0.1
743.43030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89152	0.4
59.01358	0.8
59.07381	0.4
61.98823	0.9
71.01370	1.8
88.98798	0.9
89.02444	0.7
93.03462	1.2
96.96040	0.5
99.00887	1.0
108.02158	1.3
109.02955	4.7
113.02396	0.8
115.00399	1.0
121.02952	8.7
125.02427	0.5
135.04523	2.0
143.29829	0.4
157.01404	0.5
159.04529	0.7
161.02414	1.7
161.06071	1.9
163.04015	0.6
173.06053	0.6
174.03104	0.5
175.04010	1.3
178.29158	0.4
185.06052	0.5
187.03986	2.4
187.07599	0.7
188.04807	0.8
197.05975	1.1
200.04585	0.6
213.05536	1.4
214.06247	0.4
215.07066	0.7
217.03503	0.5
224.04829	0.5
225.05563	1.7
226.06337	3.7
229.01268	0.6
241.05067	2.6
242.05821	5.9
243.06595	100.0
244.06947	7.3
269.08267	0.7
271.09760	5.7
277.05643	1.1
282.05353	1.1
297.07642	8.0
298.07925	0.5
315.08823	1.1
341.06573	13.9
342.06708	0.7
357.09793	0.9
359.07642	8.1
360.08029	1.0
461.10571	0.9
462.11050	0.5
521.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.4
69.21284	0.7
69.21710	0.6
76.03022	0.1
78.81519	0.1
78.95894	1.1
98.15520	0.1
99.92577	2.3
118.89890	0.2
132.90041	0.3
134.89470	100.0
135.89467	5.6
152.99585	0.9
175.02528	0.2
231.94385	0.1
249.58972	0.1
253.21719	0.3
254.21971	0.2
254.43802	0.1
277.21722	0.6
278.22064	0.6
279.23285	0.5
295.22971	0.2
382.56219	0.2
437.81128	0.1
505.25830	0.5
506.26074	1.0
507.26797	0.6
742.47418	0.5
743.46075	0.8
760.34277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65884	0.1
61.98831	0.1
78.95898	0.6
81.05839	0.1
84.33001	0.1
87.00851	0.1
96.29237	0.1
98.20666	0.2
99.92572	2.0
119.66917	0.1
132.86772	0.2
132.90019	0.5
134.86723	1.6
134.89471	100.0
135.89468	5.1
152.99562	0.5
182.02182	0.1
253.21733	0.3
277.21732	1.2
279.11124	0.1
358.95605	0.1
505.25784	1.1
605.30157	0.1
741.46814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09973	3.9
59.01374	28.4
61.98821	40.3
78.95901	41.2
89.76486	4.3
96.95980	7.8
146.61885	4.3
152.99582	44.5
169.12315	15.3
171.76605	4.8
185.11905	8.7
197.11800	10.1
198.12122	4.6
209.11823	18.8
210.12126	9.3
211.13344	33.2
213.11346	7.4
227.03290	4.6
253.09433	7.3
253.21745	30.3
254.05266	5.0
277.21722	96.0
278.22177	12.2
309.20657	4.9
359.26611	4.8
361.00784	4.6
369.86520	4.8
505.18863	4.3
505.25705	100.0
506.25958	13.5
641.34924	8.2
741.37854	18.2
741.47528	25.1
742.48291	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	741.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
58.82201	0.5
59.01382	5.4
61.98824	17.6
64.75461	0.5
71.01381	3.8
71.52177	0.6
73.02943	1.4
78.95889	2.9
80.02645	0.7
81.03455	1.3
83.01387	1.2
83.05022	3.1
83.13622	0.5
84.02158	0.8
85.02975	0.9
87.00882	1.4
89.02444	3.4
95.05054	0.7
96.35884	0.5
101.02451	3.7
113.02425	2.3
116.92858	1.2
119.03481	1.0
125.09698	1.6
127.11291	2.7
135.08180	0.7
139.95790	0.6
143.03502	0.7
152.99594	4.1
155.10773	0.9
161.04543	1.9
163.11276	3.0
165.09218	0.9
165.12837	1.7
171.00780	0.6
171.10246	3.2
172.10556	0.8
179.05630	0.8
181.12355	0.9
191.10767	0.7
199.09770	1.0
201.11311	44.3
202.11653	1.6
205.00499	0.6
209.11809	100.0
210.12115	5.8
226.11757	0.8
227.03204	0.8
227.12865	11.9
228.13130	1.1
235.08215	2.9
243.47920	0.6
253.09273	12.9
253.21796	2.5
254.09525	0.9
277.21698	78.7
278.22015	9.4
279.22424	1.2
292.32520	0.6
398.14130	0.6
417.91672	0.5
419.19342	0.6
424.14584	0.6
437.20273	1.8
443.31268	0.9
445.20718	2.2
461.33029	1.0
505.25714	7.2
506.26056	0.8
513.30780	0.8
536.67493	0.6
662.17426	0.5
701.13940	0.7
723.36151	0.5
741.46643	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	741.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63472	0.7
59.01371	1.1
59.61442	0.6
61.52323	0.7
62.65305	0.8
68.00391	0.6
71.39758	1.3
71.40102	0.7
78.95898	35.2
83.53867	0.7
91.40017	0.7
96.93517	0.8
96.96995	3.0
111.37352	0.9
134.30272	0.7
138.42014	0.8
150.98064	0.8
152.99573	45.0
171.00665	3.6
227.03291	4.8
253.21710	30.0
254.22046	2.9
259.20682	0.8
277.21698	70.4
278.21976	7.1
413.21033	3.2
456.75876	0.8
463.24554	1.3
483.27277	1.2
487.24304	1.0
505.25699	100.0
506.25964	13.0
531.43866	0.8
741.47015	36.6
742.47357	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	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59468	0.6
57.03453	0.8
59.01376	7.1
60.83300	0.6
61.98829	1.5
63.65948	0.6
69.03448	0.6
71.01377	6.6
71.05027	2.8
71.35143	1.1
73.02959	1.6
76.29018	0.6
78.95898	1.5
83.01394	0.7
85.02957	2.2
87.00894	1.2
89.02449	3.7
95.01392	0.8
95.25514	0.6
97.02950	3.9
97.06583	1.7
99.00875	12.0
101.02441	3.1
109.06625	1.5
110.03702	0.8
113.02451	2.1
118.11931	0.6
123.08179	1.4
125.09727	6.6
126.01902	0.6
126.88576	0.7
127.11308	1.2
138.64360	0.7
152.99593	1.3
161.04504	1.8
163.11290	7.7
171.10262	14.6
172.10553	0.8
181.12334	10.0
189.09103	0.9
197.11845	1.7
199.09666	0.9
199.11528	0.9
199.13361	11.5
200.13876	0.8
201.11250	0.9
207.10257	27.9
208.10785	1.1
211.13429	0.7
225.11305	44.1
226.11633	2.5
235.08185	3.4
243.12328	6.9
253.09282	5.4
277.21704	86.8
278.22079	8.6
279.23157	1.4
280.23444	0.8
417.80511	0.7
443.19086	1.9
461.20377	5.6
479.21323	0.9
577.36804	0.8
695.40033	0.9
721.41528	5.4
722.42188	2.2
729.35602	0.7
739.42645	100.0
740.43066	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81516	0.1
53.21684	0.1
59.01379	0.4
61.98828	100.0
62.98524	0.2
71.01392	0.2
89.02426	0.1
99.04367	0.1
99.92548	0.1
101.02457	0.2
102.09299	0.1
105.87836	0.1
111.08121	0.1
113.02460	0.1
116.92839	0.5
121.54430	0.1
124.35118	0.1
152.99623	0.2
161.04585	0.1
169.12440	0.1
183.13866	0.2
184.14299	0.1
197.11842	0.8
198.12201	0.3
209.11975	0.2
211.13383	3.2
212.13701	1.2
227.12981	0.1
235.08325	0.2
236.08540	0.1
253.09239	0.5
254.09744	0.1
277.21777	0.2
279.23398	0.2
280.23822	0.2
281.23892	0.1
291.19766	0.5
292.20071	0.2
293.21442	0.1
309.20715	1.0
310.20901	0.5
329.70883	0.1
397.13669	0.1
398.13950	0.2
399.14236	0.3
400.14163	0.1
413.79263	0.1
447.22495	0.1
448.22705	0.1
451.98984	0.1
505.25861	0.2
558.13922	0.1
576.75256	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72176	0.1
57.44247	0.1
59.01377	0.1
61.98827	100.0
62.98516	0.2
75.37057	0.1
83.04987	0.1
84.05348	0.1
89.65720	0.1
98.19917	0.1
158.68274	0.1
196.66728	0.1
199.87096	0.1
208.77820	0.1
225.16013	0.1
270.28513	0.1
293.21606	0.1
474.38956	0.1
679.50037	0.3
680.50568	0.8
740.49268	2.3
741.49414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
61.98829	15.5
63.99266	0.7
70.40089	0.6
71.01376	0.8
71.70839	0.5
73.02912	0.6
77.03959	3.6
78.95901	0.8
84.43067	0.6
89.02432	0.6
93.03439	0.6
96.95974	0.9
98.19926	1.2
115.14641	0.5
116.64316	0.5
121.02950	100.0
122.03265	3.4
127.75412	0.6
137.02411	0.7
163.27234	0.5
165.01926	78.3
166.02222	3.1
171.10254	0.6
181.06593	2.3
185.11809	0.6
191.03505	1.9
197.11765	1.2
209.11789	5.4
210.12157	1.4
211.13426	6.0
212.13704	1.9
225.05623	1.6
227.12981	1.0
253.09328	1.4
254.09703	0.7
277.21689	1.3
291.19626	0.9
293.21393	1.0
294.21548	1.4
309.20807	1.6
310.21048	1.3
313.07275	1.9
318.96573	0.6
357.06140	11.1
358.06677	0.9
524.92261	0.6
741.14630	6.9
742.15015	1.3
742.41180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40748	0.1
59.01379	0.1
60.45026	0.1
60.92363	0.1
61.62560	0.1
61.98808	0.2
69.46046	0.4
69.46456	0.2
75.63202	0.1
78.95898	0.6
81.74781	0.1
84.77726	0.1
99.92583	2.3
118.89937	0.2
132.86743	0.1
132.90057	0.4
133.17461	0.1
134.89476	100.0
135.89479	5.4
152.99585	0.6
165.97598	0.1
182.02316	0.1
185.11810	0.6
217.47714	0.1
227.03336	0.1
233.03952	0.1
250.06682	0.1
253.21686	0.4
277.21695	1.6
347.38785	0.1
505.25589	1.3
554.11389	0.1
564.72162	0.1
569.70233	0.1
741.47003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5076
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
68.10127	1.9
73.33000	1.8
78.95904	15.2
85.47013	2.2
89.13173	1.9
92.37188	2.3
93.02930	2.0
95.86578	2.2
98.20705	6.7
117.87784	2.2
122.60230	2.1
129.30894	2.0
152.99591	11.4
218.32799	2.1
229.44659	2.5
277.21600	3.4
279.23276	100.0
280.23602	10.0
281.24826	6.7
380.17496	2.3
390.40616	2.3
449.14331	2.4
458.26556	2.5
654.73663	2.3
670.89093	2.6
738.50769	43.0
739.50555	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	739.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03437	0.8
58.00585	1.1
59.01376	31.2
61.98806	2.0
62.88018	0.5
64.29434	0.5
65.21410	0.4
67.01867	0.4
69.03447	2.0
70.53708	1.5
71.01376	26.9
72.99310	2.6
73.02943	5.4
80.02062	0.4
81.03446	1.2
83.01398	2.4
83.04407	0.4
83.05017	0.6
85.02948	5.9
87.00867	7.2
89.02443	22.5
91.03994	0.5
95.01371	1.9
97.02949	4.5
99.00861	1.5
99.04491	0.5
101.02435	21.4
102.02773	0.7
109.02906	0.8
109.06582	0.5
111.00828	0.7
111.04561	1.0
113.01721	0.8
113.02450	10.9
114.61989	0.4
115.03996	0.6
119.03492	6.6
121.02922	0.7
121.28365	0.5
125.02441	9.9
127.03983	0.7
127.11240	0.5
129.30537	0.5
131.03485	0.9
133.05109	1.2
139.04039	0.9
141.01923	0.5
143.03496	3.5
145.05040	0.7
149.04500	0.5
161.04536	4.7
163.11295	0.9
166.85959	0.4
167.03525	0.5
169.05161	0.5
171.10262	25.0
172.10591	1.2
179.05582	4.2
185.11867	0.7
201.11266	1.6
207.10236	3.7
211.13417	1.1
217.07088	0.8
221.06627	1.6
224.12831	0.5
225.11317	12.5
225.13370	0.5
226.11684	0.9
235.08209	13.2
245.06538	0.6
253.09282	5.3
263.07556	0.9
275.20325	0.4
277.09055	0.6
277.21695	40.5
278.22058	5.0
279.23312	0.6
281.24829	79.0
282.25235	7.2
287.07730	3.3
295.26508	0.6
305.08722	4.1
323.09894	1.3
323.54044	0.5
379.12488	0.7
397.13464	100.0
398.13855	8.5
415.14520	33.4
416.14899	2.1
443.19360	1.3
461.20053	1.7
513.30750	0.5
588.56396	0.5
679.39148	4.8
680.39368	1.3
721.41284	1.1
739.42340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
61.98828	100.0
62.98531	0.1
71.01402	0.1
71.05395	0.1
71.05724	0.1
82.14944	0.1
109.80869	0.1
113.08653	0.1
125.02479	0.1
128.82858	0.1
130.27238	0.1
277.21762	0.1
398.14017	0.1
399.14160	0.2
400.14343	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98829	100.0
62.98516	0.1
70.83018	0.3
71.01369	0.1
87.00862	0.1
99.35662	0.1
195.94244	0.1
203.33807	0.1
245.65425	0.1
246.20769	0.1
277.21768	0.2
278.21967	0.2
279.22754	0.2
280.69150	0.1
384.37402	0.1
398.14090	0.2
399.14078	0.3
400.14178	0.2
500.11108	0.1
641.60919	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54572	0.8
53.38624	0.7
57.03438	3.0
59.01378	12.5
61.98828	57.8
69.03439	1.5
69.42002	5.1
71.01380	14.1
72.99294	1.2
73.02940	3.6
74.28101	0.8
78.95890	2.2
79.95743	0.9
80.96505	3.3
83.01389	2.1
84.93014	0.7
85.02940	4.5
86.00091	0.8
87.00873	6.6
89.02444	4.2
95.01388	1.0
96.96009	20.8
96.96645	1.2
96.96957	1.7
97.06572	5.2
97.95979	1.2
98.95584	1.9
99.00871	1.4
101.02435	8.1
105.08513	0.8
106.06648	0.7
108.04552	0.9
113.02454	4.6
119.03467	1.0
121.05325	0.8
122.06120	3.5
123.08156	2.9
125.02411	1.1
125.09723	32.2
126.10107	1.0
133.05067	0.8
140.53305	0.8
145.05165	2.0
161.04529	1.5
166.88853	0.8
185.11795	1.0
197.11868	1.0
209.11865	1.3
211.13409	1.1
212.13965	0.8
216.17581	1.9
224.22734	0.9
229.14618	1.0
230.15466	2.4
235.08200	1.7
244.17056	17.4
245.17433	1.8
268.17010	1.0
270.18600	16.5
271.18753	1.8
279.23267	1.4
288.16168	1.2
288.19604	0.9
296.16617	1.9
314.17615	5.0
352.26395	1.5
370.27524	6.3
396.24927	4.4
396.29578	1.9
414.26355	7.6
422.27100	3.1
432.27405	9.5
433.28241	1.3
440.28058	8.9
441.28439	1.4
458.29160	14.6
459.29660	1.9
476.30286	3.3
504.88715	0.9
676.36676	5.1
694.34436	37.5
695.34662	7.6
720.35999	4.7
738.37146	100.0
739.37762	19.7
769.95667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01374	11.6
60.99319	1.1
61.98827	82.6
62.98486	0.7
65.83342	0.8
69.03465	1.0
69.23078	6.7
71.01380	12.4
72.99297	1.0
73.02937	2.8
80.96519	1.4
83.01383	1.0
83.05058	0.7
85.02950	4.5
87.00874	5.1
89.02438	5.0
90.08124	0.9
94.06568	0.7
95.01384	2.1
96.96000	1.5
97.02962	1.3
97.06595	4.0
98.20646	1.4
101.02436	7.7
113.02435	5.6
122.06136	3.7
123.08160	1.9
125.02499	0.9
125.09708	22.0
126.10012	1.3
132.08212	1.0
145.05074	3.0
160.07729	1.5
161.04520	1.1
162.09259	0.9
197.11758	0.7
209.11838	1.4
211.13307	1.7
216.17548	1.8
229.14673	1.8
230.15466	1.5
235.08153	1.5
244.14684	1.4
244.17041	18.5
245.17406	1.7
270.18628	13.2
271.18973	1.1
279.23337	1.3
288.19623	1.0
296.16583	2.9
314.17551	4.8
352.26575	1.3
370.27390	5.0
371.27350	0.9
378.24106	1.4
378.28345	0.9
396.24698	3.6
396.29263	2.3
404.25406	0.8
406.81149	0.9
414.26431	7.0
415.26480	0.9
422.26987	3.9
432.27502	8.9
433.28036	1.4
440.28104	7.0
441.28571	1.1
458.29169	11.5
459.29355	1.0
476.30237	2.8
503.64926	0.9
579.64941	0.8
676.36530	2.3
694.34393	27.5
695.35052	4.4
720.35583	1.3
738.37103	100.0
739.37463	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02948	0.2
59.01375	13.2
69.49786	0.2
70.02924	0.2
81.02997	0.3
81.03448	4.4
83.05019	13.1
84.05333	0.2
89.89293	0.2
100.07680	0.2
107.06137	0.3
108.04572	0.3
111.83115	0.2
123.62716	0.2
125.07181	0.8
126.05592	0.2
134.76747	0.2
136.33568	0.2
143.08182	0.2
207.14972	0.8
209.06461	0.2
224.17662	1.9
225.16060	10.7
226.16362	0.6
242.18645	0.6
250.15553	0.3
309.21774	0.6
324.26563	0.6
333.22830	0.4
341.29141	0.5
367.27118	1.4
433.31790	1.1
450.34326	1.1
451.32846	7.8
452.33313	1.0
550.43433	0.9
559.38947	0.3
565.44916	0.4
575.42511	0.2
593.43915	0.6
594.43365	0.2
659.48322	1.7
660.49420	0.4
677.49615	100.0
678.49921	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	737.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	2.3
66.28963	1.5
71.01382	8.5
72.37238	1.5
78.95898	7.3
78.98571	5.4
79.02675	1.7
79.95745	11.5
80.96515	70.9
82.96086	3.3
85.02950	3.4
85.98191	1.4
87.00884	3.2
94.98096	13.2
96.96011	2.0
98.20616	3.2
101.02418	2.0
101.28137	1.4
106.98083	3.8
122.97556	5.4
123.96568	1.6
125.02424	3.0
134.97528	3.7
148.99120	8.7
152.98573	4.1
152.99640	3.6
164.98625	8.4
171.10251	1.6
199.13490	1.8
225.00737	15.5
255.23280	3.8
277.21631	3.6
279.23297	16.8
415.72992	1.4
481.17072	2.5
737.41248	100.0
738.40295	19.2
738.51270	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48289	0.7
59.01384	6.1
59.52033	0.5
61.98830	1.8
65.06226	0.5
69.03454	3.4
69.68433	0.6
69.68711	3.1
71.01383	5.8
71.05016	2.1
72.99311	0.9
73.02934	1.0
78.70319	0.5
79.79255	0.5
85.02947	2.0
87.00880	0.6
87.93329	0.5
89.02465	2.7
95.01397	0.7
97.02945	0.8
97.06612	0.7
98.20641	0.8
101.02441	4.4
109.06576	0.8
113.02429	1.8
119.03500	0.5
123.08162	1.2
125.09734	1.5
149.09685	0.6
151.11276	1.4
152.99559	0.6
153.11658	0.5
153.12852	1.8
161.04544	0.7
161.09721	3.5
169.12257	2.7
171.10246	0.6
177.09259	0.6
179.10744	5.9
187.07597	0.5
190.05716	0.5
197.11816	73.8
198.12111	4.0
205.08691	5.3
223.09753	4.0
225.54987	0.6
235.08209	1.7
241.10786	4.2
253.09167	4.5
277.21701	39.1
278.22083	3.8
279.23273	1.5
356.45456	0.6
459.18460	1.3
477.19757	2.4
714.46552	0.6
719.39624	3.2
737.41119	100.0
738.41412	24.5
755.55896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03454	0.9
59.01380	5.5
61.98829	1.6
69.03449	4.2
70.64925	0.4
70.65240	0.7
71.01378	4.6
71.05011	1.2
72.99309	0.5
73.02930	1.0
73.38646	0.4
77.66272	0.4
83.01394	0.9
83.05012	0.7
85.02959	1.7
87.00867	1.0
89.02441	3.2
95.01386	0.6
95.05017	0.4
97.02957	0.7
97.06579	0.7
101.02435	3.1
111.04505	0.5
113.02456	1.8
119.03501	0.4
123.08170	0.9
125.09705	2.2
151.11269	2.4
153.12863	1.3
161.04547	0.9
161.09721	3.4
169.12318	4.3
179.10753	7.3
179.12245	0.6
180.10942	0.4
197.11826	45.8
198.12137	2.0
223.09801	0.8
225.11406	0.6
235.08209	0.7
241.10826	1.9
253.09280	2.1
259.20676	0.4
277.21701	52.3
278.22046	5.5
279.23297	0.9
341.96860	0.4
459.18707	0.9
477.19644	1.5
737.41113	100.0
738.41461	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	737.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
59.01377	23.9
65.00317	1.0
69.58102	0.5
70.09185	0.5
70.26575	1.1
70.26969	1.3
84.42345	0.6
107.01388	1.5
109.02937	1.4
121.02871	1.1
127.11284	3.2
132.36552	0.6
135.00853	0.7
139.11301	1.3
151.00356	8.3
155.10782	2.1
157.12331	17.0
158.12685	0.9
163.00386	2.6
173.63170	0.7
178.99843	4.4
185.11824	14.9
185.30275	0.6
187.03955	0.8
203.12866	100.0
204.13220	5.7
211.03932	1.0
227.03439	1.1
229.05096	0.7
243.03009	3.4
245.04517	1.7
245.13918	74.3
246.14294	5.5
254.02211	0.9
255.02962	12.8
256.03345	1.3
271.02448	22.7
272.02960	2.3
273.04086	0.7
283.02451	1.8
300.02722	46.7
301.03479	37.0
302.03833	2.4
391.57837	0.6
447.09290	85.9
448.09650	10.8
466.56067	0.5
735.01312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03443	0.9
58.00573	1.0
59.01376	30.8
61.98807	2.2
69.03452	1.0
69.29578	6.1
71.01379	23.9
72.99299	2.4
73.02952	3.7
77.92265	0.6
78.95897	1.2
81.03425	1.1
83.01368	2.7
85.02943	4.6
87.00871	5.0
89.02441	21.0
95.01397	1.6
95.05653	0.6
97.02959	4.7
98.19947	1.4
99.00877	2.3
101.01794	1.4
101.02437	18.9
111.04450	0.8
113.02436	9.6
119.03459	5.0
125.02447	8.1
131.03493	1.4
141.01791	1.3
143.03502	4.0
161.04527	4.8
164.66637	0.7
179.05608	3.4
209.11852	2.0
211.13371	4.5
221.06590	1.5
225.11459	0.7
235.08203	9.7
253.09366	1.5
263.07938	1.1
279.23270	79.1
280.23557	7.9
287.07825	3.9
291.19617	1.8
305.08847	3.8
307.19186	1.0
323.09775	1.6
397.13470	100.0
398.13870	9.4
415.14536	32.5
416.14774	3.0
546.39728	0.8
677.38025	4.8
677.48328	1.0
737.39575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15437	0.6
59.01370	1.8
59.38969	0.5
61.98829	34.2
62.34793	0.5
63.56715	0.5
71.01379	2.0
71.52325	0.5
72.16843	0.6
78.95911	0.7
79.95744	0.7
80.02665	0.8
80.96521	2.6
83.05029	3.1
85.02947	1.3
85.22192	0.5
87.00848	1.0
89.02440	1.1
94.98082	0.6
95.01384	0.7
95.05016	0.6
101.02447	1.3
101.76640	0.6
113.02427	0.9
125.02336	0.6
134.89465	2.1
153.01884	1.2
161.04535	1.0
163.11311	2.8
165.12828	2.1
169.12314	2.5
171.10278	1.8
175.02383	0.8
181.01468	1.3
182.02180	2.0
183.02957	1.9
183.29668	0.7
185.11792	0.7
191.10771	0.8
197.11833	0.7
198.94432	0.5
209.11813	100.0
210.12144	6.1
211.13464	1.3
225.00845	0.9
227.12883	14.5
228.13266	1.0
235.08232	1.8
244.67169	0.5
253.09253	5.2
269.20276	0.5
345.08243	0.8
353.11523	0.6
381.57944	0.6
434.91205	0.6
445.20709	3.9
590.70703	0.6
637.32141	1.2
701.33881	2.3
737.31268	5.0
738.30646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.52125	0.1
61.98827	100.0
62.89463	0.1
62.98512	0.1
70.66026	0.3
115.71789	0.1
171.10280	0.1
209.11829	0.3
211.13423	1.1
212.13774	0.6
213.14044	0.2
219.51569	0.1
227.03535	0.2
227.12852	0.2
234.41524	0.1
253.09245	0.1
255.03040	0.3
284.03247	0.2
285.04202	0.1
291.19751	0.3
398.52682	0.1
527.29065	0.1
736.36017	0.1
737.28607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
59.18898	0.2
61.98827	100.0
64.74973	0.2
66.91682	0.2
69.43835	1.6
71.01379	0.4
78.95918	0.3
87.00912	0.2
96.96046	0.5
98.25311	0.2
101.02441	0.3
102.25982	0.2
114.30506	0.2
171.10419	0.3
180.97365	0.2
209.11884	1.0
211.13358	1.5
212.13672	0.3
227.12917	0.6
253.09435	0.5
277.21808	0.2
284.34766	0.2
289.18176	0.6
291.19711	1.1
307.19141	0.3
454.13971	0.2
736.35132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01377	24.4
63.41607	0.8
65.00357	0.8
69.97762	1.4
69.98149	2.0
83.20166	0.7
107.01381	2.3
108.02162	1.1
109.02938	1.4
113.09714	1.0
121.02961	1.8
127.11259	1.2
139.36923	0.8
142.06627	8.5
144.38988	0.8
150.99220	0.8
151.00377	11.5
155.10733	2.1
157.12337	13.3
158.06033	1.3
163.00348	2.4
178.99788	5.5
185.11821	15.8
186.05565	3.0
186.12152	0.9
203.12869	100.0
204.06631	5.9
204.13205	4.4
211.03983	0.9
227.03557	1.1
235.97574	0.8
243.02989	4.0
245.04370	1.0
245.13928	62.2
246.07657	3.5
246.14246	5.7
255.02989	13.9
256.03406	1.2
263.84070	0.8
271.02481	26.8
271.05429	1.3
272.02811	1.5
299.01871	1.1
300.02728	60.0
301.03485	45.0
302.03821	2.7
376.38934	0.8
447.09280	96.6
448.09488	10.3
468.94946	0.8
476.68228	0.9
693.14014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
59.87404	0.2
61.98828	100.0
62.98526	0.2
71.01389	0.2
79.95753	0.2
80.96516	0.8
94.98140	0.2
96.96001	1.3
116.92943	0.2
140.47653	0.2
171.10316	0.2
182.02191	0.3
183.02783	0.2
197.11838	0.6
209.11832	1.2
211.13416	0.9
253.09361	0.3
257.52563	0.2
291.19589	0.3
737.33557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98827	100.0
68.01139	0.2
69.23222	0.9
69.23647	0.4
71.01385	2.0
72.01710	0.2
73.02940	0.3
83.01395	0.2
85.02951	0.4
87.00880	0.4
89.02440	1.5
91.53819	0.1
94.47357	0.1
95.01430	0.1
96.96031	0.2
97.02953	0.3
99.00842	0.2
101.02449	1.3
113.02471	0.7
119.03533	0.5
125.02470	0.5
143.03481	0.3
144.17641	0.2
161.04568	0.3
179.05664	0.3
182.02155	0.2
209.11784	0.3
211.13351	1.0
212.13760	0.2
225.11377	0.4
227.03862	0.2
227.13011	0.2
235.08305	0.6
236.08698	0.2
250.50835	0.1
253.09288	0.4
277.21759	2.6
278.22061	2.5
279.22449	0.2
287.07849	0.2
289.18164	0.2
291.19772	0.3
291.29401	0.2
307.19232	0.4
397.13516	3.6
398.13800	2.8
398.18546	0.2
399.14581	0.3
415.14542	1.1
416.14828	0.8
737.28845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01382	0.4
65.03975	0.4
69.03448	0.7
69.39004	2.4
81.03447	1.8
83.01389	3.3
89.02438	0.4
91.03923	0.3
93.03477	1.6
95.01363	0.8
95.05027	2.8
97.02950	6.4
108.02148	1.2
109.02944	21.7
110.03291	0.9
119.05035	0.4
121.02956	5.5
122.03722	1.1
123.04517	13.9
124.04823	0.5
125.02438	16.1
126.02730	0.4
129.96370	0.3
131.90694	0.3
133.02940	0.3
135.04533	2.1
137.02437	8.9
138.03250	0.8
139.04001	2.8
145.02937	1.2
146.03714	1.0
147.04457	0.4
149.02444	3.9
150.03174	1.1
151.04004	8.8
157.06554	0.5
159.04510	2.5
160.05264	1.2
161.02415	1.3
161.06078	4.7
162.03250	1.7
162.06389	0.4
163.03996	1.4
164.01132	3.4
165.01970	3.1
166.02550	0.5
167.03506	1.7
173.06039	0.8
174.03177	0.4
175.04041	2.1
175.07637	2.3
177.05608	0.5
179.03471	6.4
179.05046	0.5
179.05667	0.3
185.06145	0.8
187.03975	4.7
188.04756	4.0
197.06046	0.3
199.07585	0.8
199.21068	0.3
201.05518	0.7
202.06323	2.2
203.07111	13.4
204.07458	0.6
205.05022	6.7
212.04684	0.8
217.08672	0.5
221.08217	2.4
227.07072	1.3
230.05675	0.4
231.02994	0.7
243.02942	1.3
245.08165	16.9
246.08502	1.3
247.06085	1.2
260.81863	0.4
271.06152	0.5
289.07153	100.0
290.07501	8.7
317.59259	0.3
323.09717	0.8
334.32877	0.3
445.13425	0.4
583.10883	1.4
609.12787	0.5
726.35370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01338	0.9
59.56590	0.8
63.96227	1.7
63.99510	0.7
71.01371	5.9
71.52119	1.1
73.02925	1.5
78.48829	0.8
78.95883	1.6
78.98589	5.2
79.95725	10.2
80.96511	58.1
85.02934	2.2
87.00850	1.8
94.98080	14.1
96.95966	1.6
97.02943	1.0
101.02407	1.7
106.98062	2.4
122.97559	3.2
125.02455	2.1
134.97571	5.1
136.99184	0.8
148.99092	5.2
152.98566	4.4
152.99649	1.2
157.18460	0.8
164.98625	8.9
179.89047	0.9
197.11787	1.0
206.99644	2.0
211.13377	0.9
224.98703	1.1
225.00735	15.8
255.23154	2.6
279.23282	2.9
295.34927	0.9
453.14471	1.7
479.15723	1.9
501.46979	0.8
512.07397	0.9
519.48450	1.0
555.71954	0.8
559.86816	0.9
735.39807	100.0
736.40253	23.5
765.53772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.2
61.13713	0.9
61.98832	14.1
69.03434	1.0
70.66243	3.0
71.01378	2.9
73.40443	0.9
75.00866	1.6
83.01390	2.2
88.98803	4.0
89.83987	1.1
94.59721	1.1
96.95982	1.2
97.02935	2.2
99.00849	1.7
111.00877	2.7
121.02962	2.2
123.04507	1.6
125.02425	1.1
137.02475	5.3
139.00352	2.6
139.03952	1.1
141.01973	5.1
141.02962	1.1
141.21196	0.9
153.01900	3.8
165.01935	9.6
165.99077	3.5
166.99937	1.1
171.10248	9.5
172.10580	2.7
181.01433	7.7
182.02209	89.1
183.02968	77.6
184.03262	2.7
185.59290	1.2
195.02942	1.1
199.13347	1.4
207.03004	1.1
209.11758	4.4
211.13382	8.9
227.13045	1.4
238.87494	1.0
253.09296	1.8
269.42981	0.9
310.09576	1.0
327.07620	1.1
341.23257	3.5
342.23700	2.3
345.08289	1.1
351.97949	1.1
435.64255	1.2
450.59387	1.0
491.98212	1.0
625.96301	1.1
669.31244	100.0
670.31561	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
59.01683	0.4
60.68668	0.2
61.98817	0.6
69.03455	0.4
71.01374	1.8
73.02958	0.2
80.20943	0.2
83.01376	0.2
83.05011	0.3
85.02924	0.3
87.00884	0.4
89.02449	0.9
94.86485	0.2
97.02902	0.2
101.02449	1.4
113.02419	0.6
116.01140	0.2
119.03461	0.3
125.02459	0.2
152.77217	0.2
153.38800	0.2
161.04553	0.8
165.12828	0.2
167.14400	0.5
179.05634	0.2
183.13892	6.2
184.14272	0.3
193.12306	1.7
207.10303	0.4
209.11740	0.5
211.13376	100.0
212.13713	5.7
225.11349	0.3
229.94127	0.2
235.08240	1.6
253.09293	3.2
387.25375	0.4
405.26385	0.2
407.18442	0.2
429.21213	1.5
430.21872	0.2
447.22305	10.0
448.22504	1.0
597.32916	0.2
623.34399	2.4
624.34448	0.4
641.35382	2.1
642.36096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02338	0.8
61.57987	1.0
61.98819	4.2
65.00325	1.2
66.82917	0.9
69.03460	1.5
69.37756	7.6
77.04001	1.1
78.90159	0.8
80.72785	0.9
81.33602	0.9
83.01414	2.5
95.05016	1.3
98.20618	1.3
105.23553	0.9
109.02960	2.2
110.00076	1.6
111.00884	3.7
121.02938	1.6
123.40061	0.8
136.98840	1.4
137.02440	8.5
139.00391	3.3
141.01936	3.8
147.52609	1.0
151.04001	1.5
153.01921	17.9
155.03549	1.0
165.01915	8.3
165.99040	2.8
166.02707	2.3
166.99803	1.3
167.03523	1.1
171.10199	1.3
181.01419	52.8
182.02190	100.0
183.02962	99.6
184.03320	3.2
194.02301	1.2
195.03011	2.5
204.87354	1.0
225.04163	1.3
237.03896	1.1
247.30890	0.9
250.65125	0.8
251.23846	0.9
288.54657	1.2
290.79974	1.0
327.07156	2.3
345.08221	2.4
499.10947	1.0
499.18149	19.6
500.18658	2.6
527.17114	4.9
553.19257	23.0
554.19763	4.6
555.20557	7.9
556.21478	1.2
571.20245	10.3
572.20789	1.8
625.26410	1.1
669.27606	30.2
670.27942	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	732.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
61.50548	1.2
61.98827	65.7
65.00325	1.5
71.01392	4.4
71.51975	1.8
75.00877	1.7
79.76115	1.2
83.01385	3.5
88.98804	2.9
99.00852	1.8
110.00138	1.6
111.00924	1.3
137.02446	6.5
139.00313	1.9
141.01939	4.0
153.01898	4.7
165.01907	8.4
165.99127	1.7
171.10223	5.5
172.10634	2.5
181.01378	7.5
182.02194	89.4
183.02966	76.3
195.03027	1.6
207.10188	1.7
209.11868	3.7
211.13377	18.1
237.10306	1.4
341.23398	1.9
382.83133	1.5
447.21796	1.3
482.43289	1.4
669.31219	100.0
670.31494	19.5
749.07910	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	732.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	5.2
59.01357	0.5
61.98819	0.7
67.67529	0.4
70.02972	0.5
71.01386	1.1
71.51910	0.4
72.00903	0.8
74.02473	11.0
75.17612	0.3
81.04568	0.8
82.02982	1.5
83.01350	1.7
84.04539	0.5
85.02963	0.4
86.02467	4.5
86.06104	0.8
86.99099	0.7
87.05634	3.0
88.04057	0.6
89.02442	0.4
90.00170	1.3
96.04539	0.4
97.04073	1.2
99.05638	8.2
101.07201	1.4
102.05613	1.4
107.06148	0.9
109.04063	1.9
111.05603	0.5
112.04041	1.1
113.03608	0.4
116.01750	0.6
120.01258	0.4
123.05627	1.1
123.16855	0.3
124.01680	0.6
124.04000	0.8
125.02421	0.3
125.03569	1.1
127.05148	2.4
128.03534	28.7
129.03853	0.9
129.99702	0.5
131.04601	0.7
135.04733	0.5
135.05635	2.7
137.02429	0.5
137.07202	0.9
138.03258	0.6
141.06697	3.0
143.04616	36.3
144.04997	1.0
145.06209	1.0
146.04610	2.9
149.07162	0.5
150.03230	0.7
152.01137	0.8
153.06683	2.6
160.00726	10.1
161.02422	0.5
163.03993	3.1
164.04710	0.6
165.01926	2.7
166.02773	0.5
166.09862	1.8
167.04602	2.5
167.08244	1.3
171.04118	0.5
171.07764	0.7
175.02417	0.5
177.03375	3.9
177.05566	1.2
178.02643	0.7
179.04674	7.3
181.06166	1.1
182.02150	0.5
184.10847	0.5
185.05617	1.1
191.03435	2.7
191.04912	0.4
191.07104	0.8
192.04305	0.7
192.07779	0.9
193.08603	0.7
197.05682	1.3
198.08772	0.5
205.05038	8.5
206.05388	0.5
206.09497	1.7
207.03069	2.0
210.08836	6.7
213.03456	0.6
217.08557	0.6
219.06636	1.5
219.10323	0.5
221.08179	0.5
233.04536	17.0
233.08095	0.6
234.04930	1.2
234.08862	1.5
235.09727	9.0
236.10074	0.8
240.84756	0.4
242.07794	0.9
245.08298	0.5
247.05881	0.5
254.07796	8.6
262.08435	32.4
263.09177	13.0
264.09613	1.3
272.08850	15.9
273.09271	1.0
275.09225	0.4
283.09897	0.7
288.06546	5.3
289.06622	0.4
306.07629	100.0
307.07913	7.1
311.98370	0.4
345.08521	0.5
361.47324	0.4
425.14502	70.4
426.14819	7.5
725.09674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.1
59.00718	0.4
59.01374	1.0
61.98833	0.6
66.03477	0.5
69.34034	3.3
70.02982	0.7
71.01413	0.5
72.00900	0.7
74.02470	10.2
74.03103	0.5
81.04594	1.0
82.02975	1.1
83.01385	1.7
83.05362	0.5
85.04059	0.6
86.02469	4.1
86.06139	0.4
86.99114	1.0
87.05619	2.8
90.00183	1.5
97.04073	1.3
99.05643	9.4
101.02460	0.4
101.07201	1.8
102.05617	1.5
109.04076	1.8
111.05657	0.8
112.04051	1.4
113.03555	0.7
116.01827	0.4
123.05630	1.0
124.01627	0.7
124.04012	0.6
124.07728	0.5
125.03562	1.1
127.05117	1.6
128.03537	27.1
129.03862	1.1
131.04642	0.8
135.05637	2.7
137.02443	0.8
137.07156	0.8
141.06667	2.5
143.04614	36.8
144.04936	0.7
145.06140	1.0
146.04562	2.8
147.08197	0.4
150.03180	0.7
152.01077	0.9
153.01915	0.5
153.06674	2.3
160.00751	9.8
163.03995	2.8
165.01936	3.1
166.02637	0.9
166.09819	1.8
167.04633	2.6
167.08258	1.4
177.03441	2.7
177.05534	1.4
179.03256	0.6
179.04633	7.0
181.06149	1.5
182.02219	0.9
183.02931	1.3
184.10945	0.5
185.05753	1.0
191.03447	3.6
191.07101	1.0
192.07776	0.5
193.08627	0.6
197.05685	1.4
205.05003	7.4
206.09479	1.6
207.02965	1.6
210.08838	6.5
213.03461	0.6
217.08589	0.9
219.06682	1.0
221.08156	1.1
231.04353	0.5
233.04529	16.1
233.08249	1.2
234.04982	0.7
234.08946	1.9
235.09703	9.3
236.10059	0.8
242.07924	0.7
254.07779	8.4
255.08116	0.5
261.07553	0.7
262.08438	31.6
263.09161	12.6
264.09567	0.9
272.08850	16.4
273.09232	0.9
275.09302	0.7
279.82516	0.5
288.06534	6.9
306.07635	100.0
307.07867	6.4
345.08221	1.2
425.14493	72.9
426.14804	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	732.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02290	0.5
58.02975	4.2
59.01372	0.7
62.18979	0.5
66.03485	0.8
70.02962	0.6
72.00873	0.7
72.93777	0.5
74.02467	10.2
81.04572	0.6
82.02969	1.4
83.01395	1.2
86.02470	4.4
86.06083	0.7
86.99090	0.8
87.05634	3.1
90.00213	1.2
90.06509	0.6
92.27312	0.5
97.04089	1.3
98.20677	1.0
99.00925	0.5
99.05632	8.9
101.07206	1.4
102.05627	1.1
107.06123	1.0
109.04069	1.4
111.00835	0.6
111.05633	0.6
112.04018	1.3
113.03560	0.8
116.01717	0.8
123.05643	1.3
124.04013	0.8
125.03587	1.0
127.05139	1.3
127.77424	0.5
128.03532	25.4
129.01924	0.5
129.95370	0.5
135.05612	2.2
136.18121	0.5
137.02412	1.8
141.01936	1.1
141.06674	2.4
143.04610	33.8
144.04930	0.6
145.06158	1.3
146.04575	3.0
152.01195	0.5
153.06671	2.4
160.00731	9.5
163.03990	3.0
165.01927	3.1
166.02733	1.1
166.09833	1.6
167.04601	3.1
167.08243	0.9
177.03394	3.7
177.05573	1.0
179.04662	5.7
181.01477	1.0
181.06200	0.7
182.02193	25.3
183.02965	26.2
184.03351	0.6
184.10941	0.6
185.05679	1.2
190.02921	0.5
191.03403	2.7
191.07089	0.8
192.07732	0.9
193.08530	0.7
195.02899	0.7
197.05647	1.1
205.05063	7.7
206.09375	1.2
207.02962	1.5
210.08829	6.2
219.06560	1.0
221.08087	0.7
229.44267	0.7
233.04512	14.1
233.08052	0.5
234.04889	1.1
234.08893	1.1
235.09740	7.0
235.90683	0.5
242.07794	0.9
253.83211	0.5
254.07785	7.1
255.08154	0.5
261.07703	0.7
262.08441	27.5
263.09137	13.5
264.09433	1.0
272.08887	10.4
273.09030	0.5
275.09290	0.8
288.06570	4.2
289.07025	0.6
306.07626	100.0
307.07895	6.6
308.16202	1.4
314.32474	0.6
342.14835	6.0
345.08221	43.7
346.08578	4.1
386.13965	2.2
425.14496	68.1
426.14859	8.5
476.65973	0.5
706.52496	0.6
732.23267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.0
59.01371	0.5
61.98820	0.7
64.77059	0.4
69.23279	2.9
70.02972	0.7
71.01373	0.4
74.02471	9.0
81.04578	0.6
82.02971	0.8
83.01397	1.7
86.02467	3.8
86.99099	0.9
87.05626	2.0
90.00187	1.2
96.04517	0.5
97.04040	0.8
99.05641	9.2
101.07195	1.7
102.05621	1.3
107.06152	0.6
109.04047	1.1
109.07690	0.5
111.05670	0.6
112.04040	1.2
113.03582	0.5
116.01743	0.8
119.05017	0.4
120.01308	0.5
123.05669	0.6
124.04044	0.8
125.03601	1.1
127.05152	1.7
128.03539	24.8
131.04659	0.5
135.05627	2.1
137.02428	0.5
141.06700	2.4
142.89714	0.6
143.04622	32.6
144.01234	0.5
144.04958	1.1
145.06184	2.0
146.04613	2.5
150.03154	0.5
152.01236	0.5
153.01852	0.8
153.06700	2.2
155.08223	0.6
159.99492	0.8
160.00743	9.6
160.53653	0.4
163.03987	2.7
165.01904	2.3
165.03090	0.4
166.02591	0.6
166.09807	0.8
167.04630	3.1
167.08258	1.2
171.07782	0.5
177.03368	3.2
177.05530	1.0
179.04666	6.6
181.01488	0.5
181.06233	0.9
182.02226	2.9
183.02966	3.6
184.03299	0.7
185.05649	1.1
191.03479	2.5
191.07129	0.6
192.04242	0.7
192.07765	0.8
197.05695	1.0
205.05077	5.8
206.05309	0.6
206.09502	1.6
207.03017	1.0
207.05008	0.5
210.08841	5.7
215.03287	0.5
217.08719	0.6
219.06691	0.8
219.10204	0.5
221.08292	0.5
228.09956	0.5
233.04544	10.4
233.08070	0.8
234.04880	0.9
234.08965	1.4
235.09747	7.4
236.09978	0.5
242.07816	1.5
245.07968	0.4
254.07785	8.0
261.07700	0.5
262.08438	23.8
263.09146	10.0
264.09518	0.9
272.08884	12.9
273.09171	0.8
288.06613	5.1
301.03519	0.5
303.64255	0.4
306.07642	100.0
307.07944	5.6
327.07309	0.6
337.48059	0.4
345.08209	3.0
346.08643	1.5
357.36856	0.4
425.14508	56.0
426.14865	6.9
622.16608	0.4
732.35101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52675	0.4
58.02976	4.1
59.01368	0.6
61.98823	0.6
63.92130	0.4
69.62032	2.5
71.01393	0.7
74.02470	9.8
77.57787	0.4
82.02969	1.4
83.01377	1.2
84.04536	0.6
86.02472	3.4
87.05645	2.9
90.00161	0.7
91.59778	0.4
97.04063	1.2
98.20691	0.8
98.47525	0.4
99.05635	8.8
101.07211	1.2
102.05581	1.6
107.06148	0.8
109.04063	1.3
112.04065	0.9
116.01744	0.8
123.05618	0.8
124.03971	0.6
125.03549	1.0
127.05114	1.6
128.03532	25.0
129.03894	0.6
129.99634	0.5
135.05659	2.1
137.07224	0.4
141.06665	1.7
143.04614	31.6
144.04927	1.0
145.02899	0.7
145.06166	1.5
146.04565	3.4
153.01930	0.4
153.06677	1.9
160.00725	8.8
163.03987	2.5
165.01941	1.9
165.06705	0.5
166.02646	0.8
166.09869	1.1
167.04594	2.8
167.08275	0.8
171.04066	0.7
177.03412	2.7
177.05470	1.3
179.04692	6.7
181.06140	0.9
182.02129	1.0
183.02933	0.9
184.10863	0.6
185.05630	1.7
191.03520	2.1
191.07085	0.6
192.04083	0.7
192.07741	0.6
197.05667	1.1
204.87930	0.5
205.05031	6.2
206.09442	1.3
207.03017	1.9
210.08812	6.9
211.09113	0.5
219.06570	0.8
219.10085	0.5
221.08089	0.5
233.04532	13.1
233.08072	1.0
234.04961	0.6
234.08910	1.1
235.09772	7.1
236.10031	0.7
242.07719	0.5
247.06056	0.5
254.07770	6.1
255.08174	0.6
260.66647	0.4
262.08438	23.4
263.09137	10.8
264.09512	0.6
272.08832	12.3
275.09171	0.5
288.06598	4.6
306.07623	100.0
307.07916	7.2
345.08270	0.8
425.14484	57.1
426.14862	6.6
702.79211	0.5
702.92377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	3.3
59.01373	0.8
60.13895	0.3
60.68034	0.3
66.03475	0.3
69.28088	2.2
69.28512	0.7
70.02948	0.5
71.01367	0.9
72.00899	0.5
72.80058	0.3
74.02474	9.3
82.02969	1.0
83.01361	1.9
86.02484	2.6
86.06133	0.3
86.99084	0.7
87.05631	2.3
90.00186	0.9
90.41910	0.4
95.02535	0.3
97.02934	0.8
97.04066	1.3
99.00897	0.5
99.05631	7.7
101.07207	0.9
102.05587	0.7
107.06129	0.6
109.04063	1.1
111.00868	0.9
111.05554	0.5
112.04048	0.7
113.03573	1.1
116.01762	0.8
120.01246	0.3
121.02927	0.7
123.05588	0.6
124.01654	0.5
125.03529	0.9
127.05121	0.9
128.03535	15.2
130.51331	0.3
132.08459	0.5
135.05632	1.9
137.02443	1.9
137.07243	0.4
139.00438	0.7
139.04018	0.8
141.01907	1.6
141.06715	1.8
143.04611	21.8
144.04959	0.6
145.06161	1.1
146.04553	2.0
150.03159	0.4
151.00327	0.7
151.04012	0.5
152.01176	0.8
152.30405	0.3
153.01913	1.3
153.06635	1.7
160.00719	5.1
163.03992	2.1
164.04770	0.4
164.10806	0.4
165.01932	4.0
165.99075	1.1
166.02667	0.6
166.09808	0.6
166.99817	0.5
167.03365	0.4
167.04608	1.2
167.08250	1.0
177.01945	0.4
177.03329	1.7
177.05586	0.5
179.03290	0.4
179.04636	4.8
181.01431	2.4
181.06149	0.4
182.02193	43.3
183.02962	44.7
184.03333	2.3
185.05673	0.9
187.03981	0.3
191.03485	1.7
191.07071	0.6
192.04160	0.5
192.07571	0.5
194.02196	0.5
195.03023	1.4
205.05064	4.0
206.09396	0.9
207.02937	1.2
207.04901	0.5
208.00111	0.4
210.08830	4.4
215.03482	0.6
219.06635	0.5
219.10141	0.4
225.04245	0.4
229.05009	0.4
233.04514	8.5
233.08035	0.5
233.12781	0.3
234.04927	0.6
234.08946	0.6
235.09737	5.0
242.07817	0.4
245.04585	0.6
254.07813	4.6
261.07794	0.4
262.08453	16.0
263.09146	7.9
264.09665	0.6
264.17175	0.5
272.08838	6.4
273.04114	1.5
273.09082	0.5
275.09238	0.5
288.06512	2.5
301.03586	1.3
306.07623	57.9
307.07916	4.4
308.16162	2.5
309.16699	0.4
342.14862	9.3
343.15021	1.0
345.08224	100.0
346.08566	8.5
386.13879	8.9
387.14197	1.3
425.14493	35.9
426.14798	4.4
520.82397	0.4
526.45428	0.4
732.22345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34131	0.5
56.15837	0.6
57.03428	0.6
57.42116	0.6
59.01363	2.2
61.17567	0.5
61.98818	2.1
63.52009	0.6
63.72736	0.6
69.03435	2.1
69.78197	2.8
71.01376	3.5
72.99306	1.6
75.00867	2.0
77.03956	1.0
81.03453	0.7
83.01370	4.4
83.05029	0.8
85.02956	2.9
85.81725	0.5
87.00872	1.6
95.01376	1.6
95.05015	0.6
97.02945	1.9
98.20634	0.9
99.00866	2.9
101.02425	1.2
107.32037	0.5
108.02165	0.5
109.02939	1.6
110.00075	0.9
110.68526	0.5
111.00867	4.9
111.04510	1.0
113.02444	2.0
115.00365	3.4
121.02928	2.4
123.00864	0.8
123.04472	1.5
124.77010	0.5
125.02413	1.9
125.08771	0.5
126.11847	0.5
127.04047	0.8
135.02986	1.0
136.98845	0.8
137.02438	7.8
139.00360	3.0
139.03960	2.4
140.01126	1.1
141.01927	7.2
151.03966	1.6
153.01920	8.5
154.02660	0.7
155.03455	0.6
163.04077	0.6
165.01917	12.1
165.99043	2.5
166.02608	1.2
166.99803	1.6
167.03479	1.5
169.12299	0.9
171.10237	3.7
175.02473	3.5
177.01958	0.8
177.12787	0.6
179.03453	1.6
181.01410	10.0
182.02184	100.0
183.02951	98.0
184.03290	4.9
186.01709	1.0
193.05026	0.6
194.02179	0.7
195.02979	3.6
195.06566	1.4
197.11807	6.6
205.04955	0.7
207.02937	2.0
207.04877	0.5
209.11792	10.8
211.13397	0.6
221.11847	1.2
222.05310	4.2
223.05994	2.3
223.13400	1.1
225.03900	1.0
227.12831	1.5
239.12802	0.9
241.14429	0.8
253.09216	1.3
263.09262	0.6
267.12622	0.7
284.44870	0.6
285.13443	2.2
327.07172	1.1
345.08212	17.8
346.08490	1.5
372.69510	0.6
385.11356	7.7
386.11386	1.0
425.14548	1.3
499.18213	5.3
521.22461	0.7
555.20770	16.8
556.20789	3.4
567.20953	0.9
595.20221	3.9
597.21747	2.2
611.19690	16.2
612.20105	2.5
613.21307	47.8
614.21777	9.3
635.18945	0.8
643.22522	1.3
653.20953	1.7
671.21912	15.1
672.22083	3.9
713.23090	0.7
713.33838	1.1
731.24329	1.1
731.35101	7.9
732.35120	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23705	0.1
59.01378	0.2
61.98828	100.0
62.98532	0.1
71.01353	0.1
79.95727	0.2
80.96516	0.6
86.41221	0.1
87.00925	0.1
94.98096	0.2
98.20678	0.2
164.98628	0.1
171.10271	0.6
172.10590	0.4
173.10909	0.1
225.00787	0.1
229.35541	0.1
237.62251	0.1
277.21753	0.2
278.22220	0.2
419.16776	0.1
442.41898	0.1
444.51263	0.1
731.36456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45915	0.1
57.17588	0.1
59.01373	0.2
61.98828	100.0
62.98539	0.2
63.68883	0.1
70.56457	0.1
70.72923	0.2
70.73266	0.2
80.96524	0.5
81.93454	0.1
87.97784	0.1
97.42234	0.1
98.23272	0.1
104.76376	0.1
110.27000	0.1
129.84161	0.1
148.90575	0.1
160.95560	0.1
171.10272	0.3
172.10590	0.2
277.21713	0.3
278.22110	0.2
279.22354	0.2
360.00674	0.1
731.36652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
60.07984	0.4
60.99304	16.6
61.98828	2.8
69.81812	0.5
71.01368	0.6
71.18822	1.0
84.73095	0.4
87.00865	1.2
88.00401	2.0
88.98804	100.0
89.02449	7.0
89.99152	1.3
96.96016	0.8
112.54916	0.4
119.31734	0.5
171.10251	0.9
175.02501	0.5
182.02177	1.2
183.03069	0.5
201.11285	1.4
209.11771	0.6
211.13374	2.0
223.13428	1.4
227.12877	1.9
338.59390	0.4
459.13446	0.6
553.22736	0.7
624.27484	0.5
729.34198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75246	0.3
59.01383	0.8
61.98849	0.7
62.26853	0.3
62.45908	0.3
65.00335	0.9
67.01898	0.4
68.99818	1.2
69.03449	0.5
71.01386	1.2
71.52334	0.3
75.00883	0.4
77.03967	0.6
78.95940	0.3
83.01376	5.0
85.02966	0.6
87.00865	0.5
88.98814	0.3
89.78712	0.3
93.03470	0.7
97.02954	0.8
99.00894	1.3
101.02422	0.4
105.03452	0.7
108.02164	0.7
109.02966	0.8
110.00108	0.9
111.00860	1.8
113.02449	0.5
119.05073	0.4
121.02929	1.0
123.00862	0.3
123.04553	0.5
124.01711	0.4
125.02448	0.9
127.04094	0.3
136.01697	0.8
137.02451	3.7
139.00383	2.1
139.04004	0.9
140.01152	0.6
141.01952	3.0
143.66687	0.3
145.02950	0.3
149.02403	0.8
151.00383	0.4
151.03998	0.6
152.01186	0.4
153.01929	2.8
155.03516	0.3
163.04001	0.6
164.01157	6.2
165.01927	9.7
165.99092	0.9
166.02556	0.5
166.99896	1.4
167.03510	1.2
175.03973	0.6
175.52199	0.3
177.01921	1.1
178.02486	0.3
178.99863	1.4
179.03452	0.7
181.01433	3.9
182.02200	56.4
183.02969	55.4
184.03351	2.2
186.01630	0.3
192.00629	16.1
193.01396	3.8
193.05128	0.4
194.02159	0.8
195.02956	2.6
199.32498	0.3
202.99889	0.4
205.01341	0.5
207.02985	1.2
207.05006	0.6
219.02963	1.3
219.98399	0.3
220.00119	20.7
221.00894	31.7
222.01349	2.1
223.02411	0.3
225.03979	0.3
233.00775	0.4
234.01610	0.4
235.02533	2.2
243.02815	0.4
245.00946	0.6
246.01701	0.3
250.01189	0.7
251.01779	0.4
259.02570	0.4
263.01788	0.5
274.04971	0.5
286.04639	0.3
303.07303	0.6
341.04968	0.4
345.08237	46.0
346.08560	3.5
358.03278	0.6
383.06165	100.0
384.06546	9.8
406.86868	0.3
549.08698	3.6
550.08984	0.4
729.15100	14.1
730.15204	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	729.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.5
59.01362	1.1
67.01913	0.5
69.03457	1.6
69.29480	3.5
81.03452	1.6
83.01396	3.1
89.03975	0.5
93.03455	1.3
95.01396	1.1
95.05037	1.3
97.02979	3.0
101.02448	0.4
107.01405	0.7
107.04992	0.5
108.02200	0.7
109.02950	15.8
110.03235	0.4
111.00928	0.4
117.03454	0.8
121.02953	2.4
122.03754	0.9
123.00891	0.9
123.04526	10.9
125.02444	100.0
126.02793	2.9
131.04999	0.9
133.02975	3.0
135.04504	1.6
137.02441	15.2
139.04015	2.0
143.05075	0.6
145.02968	2.0
146.03773	1.0
147.04488	0.8
149.02420	4.8
150.03151	1.2
151.00398	0.7
151.04013	9.1
152.04369	0.6
153.01939	0.4
155.05072	0.7
158.03755	0.7
159.04501	3.7
160.01637	0.5
161.02435	23.8
161.06053	3.0
162.03130	2.1
163.00362	1.4
163.03998	4.1
164.01172	3.5
165.01920	3.6
165.36151	0.4
167.03566	0.6
168.45538	0.5
169.01414	23.8
170.01755	0.8
171.04413	0.5
173.06091	1.0
174.03236	0.4
175.03967	6.5
175.07634	0.7
177.01926	3.5
177.05550	1.4
178.99762	0.4
179.03496	2.8
182.03683	0.5
183.03081	0.5
183.04533	1.3
185.02414	0.5
185.06056	1.3
187.03944	4.9
188.04718	1.6
189.01979	1.2
189.05641	0.4
189.38312	0.5
197.06058	0.7
198.03322	0.5
199.04030	1.7
199.07680	0.7
201.02051	0.7
201.05542	3.5
202.06317	0.5
203.03479	2.3
203.07106	5.6
204.04330	0.4
205.01384	1.8
205.05037	5.0
206.05569	0.4
206.08261	0.6
211.03999	1.5
212.04793	0.8
213.05496	1.8
215.03435	1.3
217.05075	1.6
219.02808	0.5
219.06648	0.7
221.08162	0.9
222.89848	0.5
224.04816	0.6
225.05595	2.6
226.06317	0.6
227.03503	2.8
227.07176	1.0
228.04181	1.1
229.05005	2.7
230.05772	0.6
231.02956	1.6
231.06654	0.8
233.04544	0.5
237.05652	0.6
240.04161	0.6
241.05035	1.7
243.02943	2.3
243.06645	1.3
245.04506	7.1
245.08147	7.1
247.06085	1.4
251.03653	0.6
253.05023	1.3
255.02985	6.3
255.06607	0.9
256.03757	2.8
257.04547	4.0
258.05060	0.5
267.03250	0.5
269.04535	19.8
270.04993	1.8
271.06064	2.9
273.04022	2.9
279.03168	0.6
279.06467	0.5
281.04547	4.7
282.05182	0.8
283.02673	0.7
283.06204	1.3
285.04053	2.5
285.07330	0.8
287.02377	0.9
287.05588	18.2
288.02969	0.6
288.06100	1.3
289.07172	27.4
290.07571	2.7
297.03970	1.8
298.04752	0.6
299.02258	0.6
299.05603	3.6
300.06183	0.6
301.07324	0.7
303.05029	3.3
308.06683	0.6
309.03922	0.5
309.07544	0.6
310.04660	0.7
311.05624	1.0
313.03403	2.0
327.08621	0.5
339.08725	2.9
363.08859	0.9
381.09537	0.8
387.16547	0.8
389.06537	0.5
395.07874	0.6
407.07672	35.9
408.07999	4.5
409.09479	0.7
419.07959	1.4
421.09680	0.5
425.08743	19.2
426.09036	2.5
431.07379	0.7
433.09253	8.1
434.09659	1.3
437.08771	3.8
439.06619	1.7
441.08441	0.5
449.08783	5.6
450.09271	0.7
451.10419	9.8
452.10739	0.9
479.08234	1.0
515.13605	1.0
525.95557	0.5
541.11053	2.9
542.11652	0.8
559.12396	18.0
560.13263	3.2
577.13507	37.0
578.13806	6.1
603.11829	1.2
729.14191	4.0
730.14465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.7
61.98825	0.6
70.81624	0.5
71.01373	2.2
73.02940	0.6
79.60667	0.2
83.05022	0.3
85.02969	0.7
87.00893	0.7
89.02451	1.5
91.05241	0.2
101.02422	2.2
113.02438	1.2
114.79851	0.3
119.03536	0.3
125.09731	0.8
127.11300	1.3
130.38187	0.2
153.09201	0.4
161.04517	1.0
171.10262	89.4
172.10606	4.1
179.05563	0.3
212.18297	0.2
233.22816	0.4
235.08235	2.9
253.09265	6.8
275.20081	0.4
277.21704	100.0
278.22064	10.1
278.24750	0.2
278.25241	0.4
281.24991	0.2
300.01682	0.2
407.19214	1.5
513.30634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	11.7
59.01375	1.5
69.03451	1.0
69.62999	1.6
69.63410	2.5
71.01382	1.0
81.02003	0.8
81.03462	1.7
83.01372	3.8
87.00848	0.7
93.03448	1.6
95.01388	1.6
95.05028	1.8
97.02951	2.4
100.81480	0.7
101.02446	1.1
105.06716	0.8
107.01347	1.3
107.05048	0.8
109.02952	12.3
117.03453	1.2
121.02943	3.4
123.00908	1.2
123.04520	9.7
124.01665	1.8
125.02441	100.0
126.02777	3.3
131.05081	0.9
133.02969	5.7
135.04535	2.6
136.01630	0.7
137.02434	20.3
138.03175	0.8
139.04001	2.0
145.02928	4.7
146.03706	1.6
147.04581	1.0
149.02440	5.5
150.03218	2.2
151.03987	10.4
152.04271	1.0
159.04471	4.8
161.02438	24.7
161.06055	5.2
162.03036	1.6
163.00356	3.1
163.04025	3.5
164.01144	4.1
165.01900	4.1
166.99815	0.9
167.03499	1.8
169.01422	25.0
169.05786	0.8
173.06079	1.0
175.03981	10.2
177.01917	10.4
179.03477	4.1
183.04539	1.1
185.06097	2.5
186.03180	0.8
187.03986	6.4
188.04742	2.3
189.01949	0.9
189.89757	0.7
190.02745	0.9
192.04042	0.7
193.01399	2.8
199.03976	3.1
201.05550	3.1
202.06372	1.0
203.03452	1.4
203.07153	7.8
205.01411	1.9
205.04973	5.4
209.06117	1.4
211.03958	2.1
213.05658	1.6
215.03395	1.9
217.05057	3.3
219.03006	2.2
221.08264	0.9
223.80405	0.7
225.05537	1.9
227.03485	3.0
227.07198	3.2
229.05020	3.5
241.04999	1.2
243.03021	6.7
244.03748	1.0
245.04558	6.5
245.08139	10.9
246.08554	1.3
247.05943	0.9
253.05011	3.6
255.02936	10.6
256.03668	4.5
257.04504	2.8
259.06229	1.4
269.01782	0.8
269.04514	4.4
271.06064	12.2
272.06284	1.4
273.04150	1.5
277.09103	0.8
281.04581	2.6
283.02509	2.2
284.03326	1.0
285.04153	4.3
285.77969	0.9
287.05594	10.9
289.07159	61.3
290.07611	4.4
297.04044	2.4
298.04770	1.4
299.05643	2.2
303.05130	2.6
311.10266	0.9
339.08749	2.3
363.08694	1.2
368.27121	1.0
381.09796	2.0
389.06686	8.0
390.07144	1.3
407.07684	92.0
408.07983	10.6
409.20740	2.5
425.08807	7.9
426.08749	1.0
433.09387	5.6
441.08234	16.4
442.08444	1.7
451.10358	17.6
452.10501	2.3
465.24512	0.8
541.11157	1.4
559.10876	6.0
560.09058	1.2
577.13934	15.2
578.13727	3.3
603.11200	5.2
604.12378	1.1
729.14410	9.1
730.15021	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	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97272	1.0
57.91244	0.9
59.01376	33.5
61.98820	6.2
69.45430	7.6
71.01365	2.7
82.29670	1.0
89.02438	2.9
101.02431	2.0
112.12662	1.0
113.02430	1.1
127.11260	1.8
133.12671	0.9
151.11253	3.8
169.12334	31.1
170.12616	1.9
171.10260	82.9
172.10590	4.2
213.11234	4.9
231.12355	1.9
235.07993	1.1
253.09235	3.9
277.21683	29.2
278.21967	3.2
449.20218	1.4
467.21213	2.5
490.85583	1.1
516.94055	1.0
523.48071	1.2
709.41418	4.1
727.42664	100.0
728.42938	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
59.01377	13.6
59.77761	0.2
61.98840	0.3
69.50835	1.2
71.01375	1.4
72.20090	0.2
73.02956	0.4
78.95909	0.3
82.99404	0.2
85.02953	0.5
89.02450	0.9
98.20000	0.5
99.51908	0.2
101.02448	1.4
113.02427	0.8
119.03464	0.4
124.82964	0.2
125.09736	0.3
127.11337	1.2
153.09212	0.4
161.04552	0.6
164.59647	0.3
171.10265	100.0
172.10619	4.7
179.05588	0.4
235.08244	1.7
253.09280	6.0
254.09526	0.3
268.97531	0.2
277.21707	49.9
278.22040	4.9
407.19165	3.2
408.19516	0.5
513.30750	0.6
520.23065	0.2
520.54193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04859	1.2
59.01373	3.6
60.99313	1.6
61.98825	26.9
62.08326	1.6
69.03438	1.3
69.15877	5.4
69.16299	9.1
71.01387	2.9
79.43929	1.3
83.01391	1.8
88.98793	8.3
95.01347	1.2
96.97978	1.3
97.02928	2.0
98.19928	2.5
105.24233	1.4
110.00153	1.6
111.00886	2.7
116.92823	1.8
118.67371	1.3
121.02926	1.8
137.02423	7.0
139.00389	1.8
140.01176	1.4
141.01901	4.5
153.01939	5.6
165.01936	5.8
165.99088	2.9
166.02628	1.4
181.01437	8.1
182.02196	93.0
183.02956	78.4
183.05380	1.8
184.03307	2.4
193.04868	1.3
195.02908	1.7
197.11784	5.2
207.02913	1.7
211.13240	1.4
223.13322	1.8
225.03903	1.8
438.19012	1.4
558.12262	1.7
637.28601	100.0
638.29022	23.0
655.21692	1.5
725.55011	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	727.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36388	0.9
59.01376	28.2
60.94352	0.8
61.98820	5.5
65.60606	0.8
67.76144	1.0
69.37685	5.7
69.38106	1.4
71.01363	2.6
76.25067	0.8
78.95885	1.0
87.00889	1.4
89.02405	1.5
94.28501	0.9
101.02427	3.2
109.97793	0.9
113.02416	2.1
151.11221	2.8
161.04504	1.3
169.12337	23.8
170.12650	0.9
171.10254	39.8
172.10582	1.4
173.92505	0.9
175.74628	0.9
213.11287	2.5
231.12198	1.1
231.76453	1.0
235.08255	1.5
253.09273	3.6
277.21701	55.5
278.21930	6.3
382.84995	1.0
449.20273	1.2
517.67548	1.0
592.46820	1.0
709.41254	2.9
727.42657	100.0
728.42981	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	727.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	0.8
65.84756	0.6
66.07107	0.5
72.67517	0.6
90.98615	0.9
94.01493	0.6
98.20683	1.2
107.01383	1.6
108.02139	0.8
109.02919	1.4
121.02966	1.2
126.05168	0.6
148.01657	1.2
151.00354	9.5
153.01900	1.1
155.49934	0.6
163.00406	3.4
178.99873	4.7
181.01381	3.2
182.02223	3.9
183.04503	1.0
188.22717	0.8
211.03983	0.9
227.03366	1.6
229.05038	1.0
243.03008	3.8
245.04498	1.4
254.02141	0.9
255.02959	15.2
256.03192	1.4
271.02448	28.3
272.02911	3.3
273.03979	1.1
279.08798	4.6
283.02448	1.5
288.33136	0.7
299.01990	1.1
300.02722	58.8
301.03467	45.9
302.03830	3.2
401.26605	0.8
447.09277	100.0
448.09628	13.6
452.15680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06851	1.2
59.01370	4.1
61.98827	15.0
62.50076	1.5
69.52890	1.6
71.01389	3.0
71.51612	1.8
77.03960	2.1
78.22604	1.3
83.01385	2.7
85.02946	2.0
88.98799	8.9
97.02924	2.4
104.88924	2.0
109.44301	1.5
111.00861	5.0
111.19678	1.6
116.92881	1.9
121.02943	2.0
125.02408	2.4
137.02432	4.7
139.00365	3.0
141.01915	2.8
151.04039	2.0
153.01929	5.1
165.01895	9.2
165.99068	2.5
166.99892	1.5
181.01424	8.5
182.02196	91.8
182.26443	1.4
183.02965	77.9
184.03300	3.8
195.03030	1.7
197.11760	5.6
199.13383	9.2
211.13367	3.7
253.09248	2.4
309.20596	3.4
312.46902	1.5
493.06012	1.7
570.44159	1.5
578.94739	1.5
637.28601	100.0
638.28949	22.4
642.73834	1.8
727.32855	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	727.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.23058	2.4
57.03442	5.1
59.01376	39.8
65.29728	2.2
66.15448	2.1
67.01879	2.9
69.03442	9.7
71.01370	24.2
72.99302	2.1
73.02943	12.4
75.00849	2.6
81.03437	5.1
83.01366	4.4
83.05019	3.6
85.02456	4.0
85.02949	56.9
87.00873	100.0
89.02396	2.5
93.03450	6.4
95.01369	20.0
97.02945	24.5
99.00895	2.2
103.03989	10.1
106.60632	2.1
109.02941	11.1
111.00854	9.3
111.04525	2.5
113.02454	19.1
115.00359	14.2
115.04029	2.7
125.01515	1.9
125.02447	5.4
125.85588	2.1
127.04037	14.1
129.01897	3.4
135.04469	4.9
137.02432	5.4
139.00357	15.8
139.03929	2.3
145.05023	7.6
155.03485	2.2
157.01448	13.6
169.05020	2.7
173.04530	2.5
175.02478	56.3
176.02888	2.7
179.03502	3.7
199.02444	36.0
217.03491	25.4
227.07043	5.4
242.95290	2.0
301.05606	2.8
303.07217	18.9
321.08221	7.0
336.13193	2.2
345.08167	9.8
387.09372	20.3
388.09741	2.2
389.20187	2.1
405.10312	11.1
406.10580	3.3
565.15192	2.6
623.14471	9.6
709.17981	21.3
710.18237	4.5
727.19263	25.7
728.19336	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74113	0.4
59.01365	0.8
60.07495	0.4
60.49475	0.5
61.98837	0.6
69.03445	0.5
70.29185	1.7
78.95893	1.0
89.02440	0.7
93.03455	1.2
108.02161	0.6
109.02946	2.3
112.10218	0.5
113.02423	0.7
115.00349	1.2
119.05011	2.0
121.02950	0.7
125.02464	0.8
145.02934	0.6
157.01369	0.7
163.03983	1.1
170.88074	0.5
175.03970	0.6
185.06041	0.9
185.10289	0.5
199.07671	0.5
209.06157	0.6
210.06799	0.8
217.03613	0.5
225.05576	1.1
226.06352	4.1
227.07117	100.0
228.07440	8.5
251.07082	0.9
253.08588	1.1
255.10240	6.9
256.10495	0.8
266.05786	1.4
277.05627	0.7
281.08157	6.1
288.12256	0.5
289.07056	0.7
325.06976	4.0
341.10196	1.2
343.08142	7.5
344.08618	1.4
385.09225	0.7
415.10703	0.7
445.11487	1.7
493.76773	0.6
505.13214	1.2
563.21051	0.6
584.26880	0.5
728.15839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04817	0.8
52.05085	0.9
57.03439	2.5
59.01382	7.4
59.53640	0.9
61.98810	2.9
69.82162	4.3
71.01379	5.3
73.02938	1.6
75.00876	1.5
78.95896	3.7
83.05070	0.8
85.02917	1.5
87.00835	1.3
89.02451	3.6
95.01379	1.1
97.06581	1.6
101.02437	4.0
112.72630	0.9
113.02433	2.0
123.08142	1.1
125.09696	2.5
128.14717	0.9
139.11285	2.0
141.01921	3.5
141.12857	1.7
152.99599	4.5
163.11203	1.1
164.68153	1.2
167.10739	4.1
167.95236	0.8
171.10272	3.5
185.11829	100.0
186.12138	5.5
201.11259	2.3
209.11827	5.8
210.12216	2.0
211.09749	2.0
211.13367	2.2
227.12778	1.4
228.13145	1.1
229.10829	1.5
245.04428	1.1
253.09233	4.9
277.21686	33.9
278.22018	6.3
279.23062	3.7
380.72998	0.9
465.19702	2.8
471.16669	1.6
493.05792	1.0
563.28729	1.1
707.37671	2.8
725.41077	88.5
726.41553	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03447	4.6
59.01373	6.9
60.78635	0.7
61.98835	7.9
69.03464	1.3
71.01376	5.9
71.52798	1.1
71.53207	1.1
73.02945	1.3
75.00861	2.4
78.95485	0.8
78.95879	4.4
82.06473	0.7
83.05022	0.7
84.05314	0.9
85.02935	2.6
87.00867	1.3
89.02451	3.5
95.05061	1.0
97.06612	1.7
97.38152	0.7
99.00896	1.0
100.92835	0.8
101.02443	5.1
113.02423	2.0
121.73402	0.7
123.00882	1.2
123.08125	0.9
125.09715	3.6
139.00388	1.1
139.11299	3.5
140.01125	2.2
141.01938	12.4
141.12805	0.9
143.03517	1.0
152.99606	6.4
161.04698	1.4
161.06082	2.1
167.10780	6.3
171.10271	2.8
185.11815	57.3
186.12201	3.5
201.11339	2.3
207.10213	1.0
209.11827	9.7
210.12155	2.1
211.09781	0.9
211.13307	3.1
225.11266	1.6
227.12895	5.8
228.13234	2.8
229.10837	0.9
229.13457	1.3
235.08266	2.1
253.09294	6.2
253.21765	0.9
254.09763	1.0
277.21701	78.5
278.22064	10.7
279.23105	5.5
408.52594	0.8
447.18930	1.3
453.15085	0.9
471.16589	1.7
563.28607	3.4
564.28937	0.8
707.37897	5.2
708.38202	1.6
725.41156	100.0
726.41577	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02784	0.6
83.01371	0.9
88.94105	0.5
98.19832	0.7
98.52295	0.5
99.00866	0.6
106.68959	0.5
111.00877	0.9
135.76845	0.6
137.02408	2.0
141.01912	1.8
153.01910	0.7
160.30756	0.6
165.01941	3.8
165.10345	0.5
165.99075	0.7
181.01393	3.0
181.99832	0.8
182.02193	52.1
183.02962	57.5
184.03294	2.6
184.87537	0.5
195.03008	1.4
207.75273	0.6
255.84232	0.6
261.06085	0.5
345.08224	100.0
346.08557	8.7
388.65549	0.5
494.61060	0.5
543.17834	0.5
609.18274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01374	15.7
60.99285	1.8
61.98829	21.0
65.26701	1.5
71.01376	15.2
71.52667	1.6
72.99316	2.2
73.02937	2.0
74.15557	1.0
78.95872	2.1
80.96490	1.8
83.01391	2.4
83.04996	1.6
85.02934	4.1
87.00888	5.7
88.87418	1.1
89.02431	5.1
94.02955	2.0
95.01374	1.6
95.05024	1.2
97.06557	3.8
99.00883	1.4
100.12092	1.1
101.02464	7.3
107.03793	1.4
108.04536	4.7
113.02422	5.0
120.08145	1.0
123.08160	2.3
125.09712	32.3
145.05069	4.3
146.06071	1.3
171.10187	3.2
182.02216	1.1
197.11819	2.0
201.11304	1.4
209.11847	2.6
211.13326	3.9
212.13748	2.1
223.13313	1.3
230.15450	4.8
235.08226	2.5
244.17004	6.0
256.17059	24.4
257.17426	2.2
274.18167	2.7
282.15012	3.3
300.16025	6.8
364.26550	2.4
370.27692	1.9
382.27429	4.3
408.25259	5.7
409.25504	1.7
414.26578	3.1
426.26492	13.4
427.26480	1.7
432.27414	2.4
444.27542	21.9
445.27780	3.4
462.28339	2.3
662.35468	9.4
663.35980	2.2
680.35999	3.4
688.32629	1.3
694.34241	5.1
695.34576	1.4
704.35590	1.3
706.34680	7.1
707.34668	2.8
724.35419	100.0
725.35748	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	724.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01378	10.1
60.99268	0.9
61.98542	1.3
61.98830	14.9
69.03436	1.3
69.77195	2.1
69.77582	1.9
71.01379	12.1
73.02941	3.0
78.01901	0.8
78.95895	1.5
80.96510	1.3
83.01368	1.4
85.02929	3.6
87.00871	4.3
89.02444	4.5
91.58047	0.7
94.03004	1.4
95.05012	1.2
97.06579	4.3
98.20741	1.0
101.02453	7.4
108.04566	4.5
113.02457	4.6
122.02527	0.9
123.08159	2.1
125.09711	19.5
132.73410	0.9
134.89435	1.2
145.05147	1.6
146.06142	0.9
152.99579	0.9
161.04529	2.4
183.02953	0.9
206.72472	0.7
209.11816	3.5
211.13373	2.0
225.00647	1.0
227.12952	0.8
230.15453	3.4
235.08199	1.2
244.17065	4.5
256.17075	19.7
257.17374	1.7
271.70306	1.0
274.18164	1.6
282.14948	3.1
300.15982	6.7
364.26578	2.3
370.27325	2.1
382.27609	5.1
390.24655	1.2
396.25406	1.3
408.25323	5.0
414.26468	1.9
418.25665	0.8
426.26508	10.3
427.26572	1.2
432.27505	2.5
444.27533	17.7
445.27722	3.1
462.28378	2.5
468.06296	0.8
523.12054	1.1
610.84351	0.8
662.35809	5.6
663.35999	1.3
680.36920	1.4
694.34167	5.9
695.34784	1.2
706.34509	2.9
707.35760	1.0
724.35437	100.0
725.35815	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	725.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.5
60.99309	1.5
61.98825	5.6
69.52250	2.1
69.52658	5.3
71.01376	2.0
78.95873	1.1
83.01368	2.3
88.98805	10.1
97.02962	1.9
98.20625	2.0
99.00883	2.7
100.46667	1.1
111.00867	2.1
112.14333	1.2
113.42488	1.1
117.78590	1.1
121.02901	2.5
124.70278	1.1
133.04979	1.4
137.02422	5.5
139.00327	2.8
141.01891	2.6
151.04036	1.5
153.01913	4.2
165.01936	9.8
165.99092	2.9
169.12282	2.1
181.01411	8.8
182.02200	87.0
183.02963	66.1
184.03326	2.5
185.11885	1.2
195.02962	2.0
209.11775	2.1
210.12175	1.2
211.13353	2.3
221.77837	1.1
247.42377	1.1
277.21707	2.9
278.21960	1.7
293.21219	1.3
327.07089	1.3
459.56033	1.2
635.27014	100.0
636.27356	17.4
725.40277	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	49.7
61.98827	94.3
69.23555	11.3
71.51932	10.7
71.52460	14.5
78.95909	13.9
80.96498	13.6
87.00884	31.6
87.16510	10.4
96.95992	21.3
110.46976	11.6
134.89473	57.1
155.00067	11.1
182.02151	13.0
183.02962	15.4
197.11815	11.2
209.11877	100.0
211.13379	94.3
227.12930	27.9
253.09306	13.4
321.37958	13.1
447.22186	25.7
545.80548	12.2
600.72296	12.4
639.33344	22.1
725.34485	53.1
726.34332	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	723.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.2
71.10772	0.2
78.95893	0.6
83.68061	0.2
98.20750	0.3
99.92582	10.0
100.92577	0.5
100.93307	0.2
114.93401	0.3
116.92856	100.0
117.92862	5.5
137.02452	0.5
141.01965	0.3
152.99605	0.4
160.23277	0.2
165.01956	0.3
169.12354	0.4
181.01472	0.3
182.02205	4.5
183.02980	3.3
199.13403	0.2
209.11848	0.5
227.12878	0.7
277.21753	0.9
469.40369	0.2
487.19724	0.2
605.29620	5.6
606.29724	1.1
607.30212	0.2
609.30438	0.3
705.36151	0.3
723.39636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96789	0.5
59.01380	3.3
61.98827	4.2
70.99901	1.1
71.01385	2.7
73.02928	1.1
80.02647	0.8
80.96523	0.8
81.03462	0.8
81.12170	0.5
81.73927	0.4
83.01382	0.7
83.05016	4.1
85.02935	0.9
87.00890	0.7
88.98816	0.5
89.02462	1.7
89.53614	0.5
91.04012	0.5
95.05010	0.7
96.95992	1.3
99.00914	0.4
100.77735	0.5
101.02440	2.6
105.01934	1.1
113.02441	0.8
125.02393	0.5
125.09753	0.5
127.11265	1.3
129.68718	0.5
147.11833	0.6
151.00471	0.6
161.04530	1.0
163.11299	3.7
165.12836	1.7
169.12335	2.9
171.10271	4.0
175.02493	0.6
177.01941	0.7
183.02863	0.9
183.96770	0.5
184.23059	0.5
191.10713	0.6
199.09859	0.6
201.11313	22.9
202.11650	1.4
207.10248	1.0
207.18506	0.5
209.11815	100.0
210.12155	6.9
225.11397	0.8
227.12891	14.4
228.13162	0.7
235.08250	3.3
253.09290	8.0
259.15594	0.6
301.03693	1.0
345.08243	0.9
393.23068	0.5
437.20175	1.9
445.20828	5.1
463.21317	0.8
609.12964	1.0
629.31787	0.7
687.24786	0.7
705.33130	0.6
723.33130	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	723.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.2
62.12630	0.8
69.92359	2.5
78.95900	34.3
80.02686	1.5
81.03452	1.9
83.05024	6.8
84.02164	1.4
96.96976	2.8
98.92051	0.7
135.08073	0.7
141.46553	0.7
152.99580	42.9
163.11263	5.1
165.12790	3.5
171.00613	5.1
181.12248	1.1
181.24513	0.8
191.10782	1.4
209.11813	100.0
210.12158	7.5
227.03358	3.7
227.12892	9.6
245.04280	0.7
253.21718	16.4
254.22012	1.8
259.15466	0.8
363.12073	2.9
395.14459	0.9
430.33185	0.7
437.15714	1.5
455.16718	6.2
456.17224	0.9
487.19464	65.5
488.19888	7.2
686.53857	0.8
691.38159	5.2
692.38336	1.5
723.40808	65.3
724.41229	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	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55549	0.1
55.01866	0.3
57.03454	0.2
58.00586	0.3
59.01376	3.8
59.90221	0.1
61.98817	0.4
69.03452	0.2
69.53289	0.7
69.53693	0.3
71.01376	3.5
72.92206	0.2
73.02947	0.7
78.95889	0.6
80.02684	1.0
81.03466	1.2
83.01384	0.4
83.05022	4.2
84.02164	1.0
85.02957	0.7
87.00864	0.7
89.02450	1.9
94.96922	0.2
95.01402	0.3
95.05029	0.6
98.20631	0.3
99.00917	0.2
99.04510	0.3
101.02439	2.9
107.33207	0.2
109.06586	0.4
113.02464	1.7
119.03501	0.5
122.80096	0.2
125.06081	0.5
130.46536	0.2
135.08153	0.6
143.03513	0.3
145.05066	0.4
147.11768	0.2
152.99590	0.5
161.04553	1.2
163.09903	0.2
163.11276	3.7
164.11531	0.2
165.12825	2.0
179.05585	0.4
181.12337	0.4
191.10844	0.8
199.13377	0.5
209.11815	100.0
210.12157	6.8
227.12874	12.6
228.13248	0.9
235.08209	4.2
236.08574	0.4
245.13792	0.2
253.09274	9.8
254.09554	0.4
259.20514	0.3
277.21707	82.5
278.22052	9.3
303.18665	0.2
445.20804	0.9
463.21802	0.3
469.14490	0.2
470.07510	0.2
513.30847	0.2
687.35034	0.2
705.35132	0.3
723.42792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06794	0.8
57.03429	0.8
59.01378	5.2
61.98827	91.8
63.99225	1.0
65.95396	1.0
69.03464	4.9
71.01383	7.7
71.05003	1.7
71.53367	0.9
72.99313	0.9
73.02943	1.2
79.95766	1.5
80.02676	1.5
80.35349	0.7
80.96530	6.7
81.03453	1.2
83.01362	1.3
83.05032	4.7
84.02169	1.3
85.02926	2.5
86.31704	0.8
87.00845	1.8
89.02428	2.5
94.98061	1.1
95.01355	0.8
95.05038	0.9
96.96019	8.6
97.06580	1.1
97.17751	0.8
99.00861	0.9
101.02444	4.6
113.02419	2.5
115.00439	0.9
119.03507	1.1
123.08116	1.1
125.02451	0.9
125.09723	2.2
135.08102	1.0
143.04482	1.2
151.11279	3.3
153.01974	0.9
153.12811	1.6
160.17337	0.8
161.04553	1.5
161.09726	3.9
163.11252	3.8
164.11490	1.1
165.12816	2.4
170.73242	0.9
171.10219	2.2
175.02473	0.8
179.10753	7.1
182.02156	3.0
183.02968	3.3
185.11775	1.6
191.10715	1.6
197.11821	71.2
198.12102	4.3
209.11807	70.3
210.12213	2.9
213.11134	1.0
215.36035	0.9
223.09750	1.2
225.00676	1.8
227.12862	5.8
241.10835	4.1
253.09259	4.8
255.12418	1.6
306.07593	2.0
345.08115	1.7
477.19885	1.8
490.96762	1.1
687.32275	100.0
688.32837	18.0
719.35730	29.3
720.35858	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95102	0.9
54.55977	0.8
57.03444	1.3
59.01374	6.8
61.98825	30.9
66.30743	0.9
70.70536	2.7
71.01389	7.7
71.05014	3.2
73.02945	1.1
75.00874	1.1
80.96510	4.5
81.03461	1.2
83.01389	1.5
83.05016	4.0
84.02168	1.7
85.02951	2.1
87.00871	1.7
88.04067	1.0
89.02442	2.8
95.05053	1.3
96.96020	2.8
97.02957	2.8
97.06586	3.0
99.00880	14.4
101.02452	4.2
102.98594	1.9
109.06581	2.2
113.02426	2.0
116.92905	1.4
123.08163	1.9
125.09706	6.6
129.01880	1.5
131.77927	1.0
135.02975	1.1
137.02345	1.1
142.02789	1.1
153.01968	1.7
153.12912	1.1
161.02368	1.5
161.04529	1.8
163.11273	12.0
165.12813	1.7
169.12294	2.1
171.10252	24.0
172.10461	0.9
175.02515	1.7
181.12315	14.9
182.02238	3.5
183.02945	3.3
197.11792	3.4
199.13390	8.5
207.10225	22.7
208.03371	1.0
209.11809	59.0
210.12112	3.8
225.00751	1.5
225.11313	38.3
226.11604	2.1
227.12901	7.5
235.08241	1.6
243.12349	20.2
244.12532	1.0
253.09311	5.2
296.05695	1.0
345.08200	1.2
352.02667	1.0
391.44589	1.0
407.18915	1.3
443.18973	1.5
450.28760	1.1
461.20251	2.8
479.21426	5.0
491.57007	1.0
628.66821	1.3
653.31317	1.5
671.32745	3.5
687.31860	1.4
689.33862	100.0
690.34052	22.0
721.36407	7.7
722.37616	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	722.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66882	0.5
58.99602	0.7
61.98830	100.0
68.53791	0.5
71.51582	0.5
71.51987	0.5
78.95898	0.8
90.41068	0.5
93.79669	0.5
96.96970	0.9
102.98613	3.4
106.03202	0.6
113.27135	0.5
115.68253	0.5
117.90408	0.5
123.04533	2.9
125.02432	1.0
134.03766	0.7
149.06125	0.6
163.00726	1.0
167.03490	11.4
168.03886	0.9
189.49425	0.5
193.05119	0.7
236.28270	0.5
245.50761	0.5
276.30203	0.5
329.08701	3.8
335.03024	0.5
392.07996	3.9
393.08463	0.7
442.47821	0.6
542.10382	0.7
696.53430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34264	0.9
59.01358	1.8
61.98829	98.1
67.42368	1.0
69.87872	0.9
70.07204	2.1
70.07558	2.6
71.01366	2.8
77.03954	1.4
79.95733	3.5
80.96489	3.9
83.01390	4.3
93.03431	1.0
95.13221	1.0
96.95982	1.2
97.02932	1.5
99.00865	1.6
101.02429	1.1
111.00828	2.6
121.02939	2.8
128.03543	1.6
136.98575	1.2
137.02423	8.0
139.00290	3.1
139.04025	1.3
140.01152	1.1
141.01897	4.4
151.04021	1.4
153.01912	6.4
165.01935	8.2
165.99052	2.6
166.99777	2.3
171.10298	11.6
172.10481	1.8
181.01424	7.2
182.02203	93.1
183.02971	91.8
184.03293	4.4
186.13988	1.1
195.02959	2.6
207.02950	1.5
209.11809	3.1
211.13380	6.0
212.13626	1.2
228.13237	1.0
253.09166	1.8
254.05800	3.2
255.06586	2.4
291.06479	1.8
327.21716	5.1
345.07828	1.3
379.37054	1.2
386.16672	1.4
557.22162	1.9
655.29700	100.0
656.30109	16.5
701.27893	3.4
718.23553	2.1
719.29077	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	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98827	100.0
69.99279	0.2
71.01399	0.3
71.53143	0.2
75.62215	0.2
76.67373	0.2
78.95907	0.3
80.96507	0.3
85.02979	0.3
88.98823	0.2
92.39898	0.2
94.82278	0.2
96.96003	0.2
101.02487	0.2
110.79912	0.2
134.44403	0.2
138.28391	0.2
171.10254	1.1
172.10686	0.2
182.02303	0.3
183.02966	0.5
197.11928	0.3
209.11856	1.0
211.13428	0.7
212.13840	0.3
227.13017	0.3
253.09303	0.2
293.13559	0.2
327.21890	0.2
328.22141	0.2
335.15491	0.2
345.08325	0.2
557.21942	0.2
569.29218	0.2
719.30145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09269	0.2
59.35469	0.2
61.98819	0.7
64.51283	0.2
71.51841	0.2
71.52355	0.3
78.32175	0.2
84.82797	0.2
99.92582	2.5
107.21729	0.2
132.90002	0.3
134.89468	100.0
135.89481	5.6
135.97061	0.2
138.16252	0.2
150.44930	0.2
183.37514	0.2
204.04277	0.2
296.26944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
57.55028	0.4
59.01369	1.2
61.98841	2.1
67.01913	0.4
69.03445	1.8
70.86508	1.0
71.01381	2.5
72.99355	0.4
75.00882	0.9
77.03953	0.7
79.01890	0.7
81.03476	0.7
83.01376	3.5
83.05043	0.6
85.02948	1.6
87.00877	0.5
89.02454	1.0
93.03431	0.6
95.01399	1.0
97.02946	1.8
99.00866	3.7
101.02453	1.0
109.02954	1.8
111.00875	3.9
111.04530	0.9
113.02432	1.1
119.03521	0.5
119.05048	0.8
121.02950	1.4
122.06186	0.5
123.00871	0.5
123.04498	0.8
125.02425	1.8
129.01956	0.5
132.04553	1.0
136.98793	0.5
137.01466	0.6
137.02444	7.0
138.03247	2.2
139.00380	3.0
139.03986	2.0
140.01140	1.7
141.01932	8.2
145.02924	1.0
146.18010	0.5
151.00381	0.4
151.03973	1.0
153.01945	10.9
153.37119	0.4
155.03511	0.9
161.02434	0.5
163.03993	1.4
165.01933	8.2
165.99049	2.0
166.02699	1.3
166.99858	1.6
167.03497	3.3
170.02205	1.7
177.01906	0.9
179.03494	0.9
181.01414	14.3
182.02200	100.0
183.02968	93.9
184.03316	3.2
190.05034	2.7
193.05081	1.0
194.02202	4.2
195.02980	4.1
207.02982	1.7
219.02840	0.6
219.84346	0.5
224.09499	0.5
225.04115	1.1
234.01620	0.8
235.02344	1.1
239.11865	1.7
253.06180	1.1
267.07654	0.7
267.11276	0.4
268.08502	1.2
283.10876	7.6
289.13785	0.5
295.10852	2.5
300.03253	0.5
303.07144	1.6
304.81491	0.4
309.08765	0.7
315.13181	0.9
327.07013	5.2
327.10580	0.7
327.13678	1.1
328.07303	0.6
342.09659	0.5
345.08228	65.6
346.08600	5.1
357.08240	8.3
358.08844	0.8
359.12494	2.0
371.12424	1.3
375.20276	1.8
389.25439	5.3
397.07504	1.0
398.08307	0.9
554.15424	1.5
555.16064	5.2
685.18982	0.6
694.95032	0.6
699.20319	0.7
717.21503	65.2
717.33289	9.6
718.21918	11.9
718.33862	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	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60617	0.7
59.01377	13.1
60.80697	0.7
61.44829	0.8
61.45143	0.8
61.98816	2.8
63.01759	0.8
69.25314	1.6
69.25716	6.0
71.01391	1.9
88.13388	0.8
89.02439	2.2
98.33710	0.7
101.02451	3.2
113.02427	1.1
113.09715	3.6
119.03427	1.5
141.09273	1.1
145.89537	0.7
159.10255	66.9
160.10590	3.4
235.08182	4.9
253.09280	12.8
253.21739	1.9
272.49210	1.0
277.21707	100.0
278.22076	10.7
419.31635	5.9
513.30786	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07655	0.1
59.01372	0.2
61.98828	100.0
62.98534	0.2
63.40173	0.1
71.01389	0.2
89.02443	0.2
101.02477	0.1
121.40495	0.1
176.43872	0.1
208.80023	0.1
236.85408	0.1
255.23213	0.2
256.23697	0.2
257.23801	0.1
301.74643	0.1
342.32431	0.1
398.14157	0.2
399.14236	0.2
400.14267	0.2
445.91309	0.1
523.48425	0.1
698.02924	0.1
708.82794	0.1
709.70422	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	717.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98825	0.6
69.03452	0.7
69.26703	1.0
69.27128	1.6
71.01383	0.7
75.00870	0.6
77.03968	0.4
83.01355	1.9
85.02959	0.6
87.00868	0.4
93.03454	0.7
97.02942	0.7
98.20733	0.3
99.00893	1.0
107.05034	0.4
109.02958	0.6
110.00095	0.7
111.00867	1.5
111.04514	0.7
113.02472	0.3
121.02934	0.9
123.00873	0.3
123.04530	0.8
125.02470	0.6
135.04532	0.3
137.02438	12.8
138.02783	0.4
139.00389	0.9
139.04013	1.5
140.01155	0.9
141.01920	2.9
149.02361	0.5
151.04019	0.8
152.04788	6.5
153.01932	2.4
155.03452	0.4
163.04007	1.5
165.01921	12.1
165.05496	0.6
165.99074	1.2
166.02541	0.7
166.99834	0.8
167.03453	0.9
171.10313	0.3
177.01978	0.5
179.03479	1.4
180.04291	2.2
181.01437	4.4
181.05049	7.9
182.02202	59.2
183.02966	59.5
184.03595	4.3
191.03540	0.6
193.05072	1.0
195.02966	1.4
207.02951	1.2
207.04991	0.7
208.03752	33.4
209.04495	13.6
210.04832	0.5
221.04552	1.1
225.03963	0.4
252.77641	0.3
303.07211	0.5
327.07138	1.5
328.07547	0.3
345.08231	100.0
346.08578	8.1
371.09796	63.5
372.10135	5.3
389.25635	0.5
445.87958	0.4
492.12482	0.7
717.34076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.51726	0.3
59.01383	0.8
61.98826	2.5
63.02384	0.3
63.26886	0.3
65.00318	1.6
65.03965	0.3
67.01893	0.6
68.99830	0.6
69.03442	0.6
69.61224	2.2
71.01380	0.9
75.00880	0.8
77.03954	0.8
77.87893	0.3
81.03455	1.8
83.01379	5.6
85.02941	1.1
88.98797	0.5
93.03438	1.2
95.01390	1.1
95.05038	0.4
97.02946	1.3
99.00875	1.1
101.02428	0.7
105.03424	0.4
106.92344	0.3
109.02949	4.9
110.00066	0.5
111.00864	3.1
115.00333	0.4
119.05025	0.6
120.01252	0.7
121.02952	3.5
122.03671	0.8
123.00899	1.1
123.04520	0.6
125.02456	1.0
133.02963	0.5
134.03749	5.2
135.00888	1.1
135.04503	0.7
136.98804	4.2
137.02437	7.6
138.02782	0.4
139.00374	2.8
139.04008	1.4
140.01167	0.6
141.01926	3.3
145.02924	1.1
149.02431	2.2
149.06036	1.2
150.03214	4.8
151.00346	0.5
151.03923	0.3
153.01926	46.2
154.02283	1.2
155.03528	0.4
159.04547	0.3
163.04004	0.6
165.01912	6.6
165.05554	3.8
165.99081	0.7
166.02670	2.1
166.99818	1.2
167.03491	1.4
175.02534	0.4
177.02002	0.5
178.02737	2.0
179.03484	0.6
180.04288	0.4
181.01414	63.2
182.02193	37.5
183.02962	44.5
184.03294	1.5
186.01646	0.7
191.03502	0.5
193.01439	0.6
193.05031	3.9
195.02942	1.0
195.06621	0.6
203.03366	0.4
207.02948	3.6
216.89388	0.4
219.03094	0.4
225.04059	1.0
231.03044	0.4
234.01685	0.7
235.02354	1.2
236.02924	0.5
249.03992	1.3
271.06262	0.6
282.08960	1.0
285.06158	1.1
309.06012	1.1
313.07434	0.4
327.07178	100.0
328.07538	6.6
341.10208	1.3
345.08124	1.4
397.07651	0.5
398.08170	0.7
492.12131	0.5
508.11740	0.9
580.23785	0.4
717.20294	24.0
718.20673	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	715.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37124	0.7
57.03440	1.7
59.01372	2.2
61.98825	5.3
65.90026	0.6
69.03439	1.3
71.01376	2.4
71.52607	1.2
75.00867	1.0
75.63194	0.6
81.03436	1.5
83.01385	5.5
85.02955	1.3
87.00898	1.3
93.03476	1.8
95.01374	1.0
95.05051	1.6
96.95995	1.0
97.02947	3.2
99.00864	1.3
109.02940	9.6
111.00871	1.7
111.04482	0.9
113.02475	1.0
115.00349	1.1
121.02948	3.1
123.00940	1.2
123.04523	8.0
125.02451	3.7
135.04503	1.7
137.02437	10.8
138.03212	1.3
139.00385	1.4
139.04001	3.1
140.01166	1.2
141.01959	3.6
149.02415	1.7
149.06171	0.9
150.03186	1.3
151.04048	4.7
152.01173	0.8
153.01944	4.7
159.04474	1.5
161.02440	1.9
161.06090	2.5
162.03181	1.4
163.03990	4.2
164.01051	0.7
165.01917	10.3
165.99005	0.9
166.02710	1.7
167.03468	2.7
175.02502	2.1
175.03944	1.1
175.07675	0.8
177.05595	2.0
179.03407	3.5
181.01450	6.4
181.05154	0.8
181.99840	1.1
182.02196	66.4
183.02966	68.0
184.03293	2.6
186.01711	0.7
187.04019	2.7
188.04747	1.6
190.02631	0.8
191.03447	4.0
195.02992	3.0
203.07121	5.7
205.05032	11.6
205.08711	1.4
206.09465	1.9
207.02971	2.0
207.10133	1.2
209.11734	1.1
211.13406	0.8
217.08620	3.7
219.06570	1.5
219.10086	0.7
221.08205	1.5
233.02342	1.3
233.04524	16.0
233.08084	1.4
234.04956	0.9
234.08932	1.0
235.09732	9.4
245.08116	4.5
246.08861	0.9
247.06223	1.6
247.09644	1.0
261.07745	1.7
262.08435	32.5
263.09143	13.5
289.07144	13.5
325.14426	1.5
327.07101	1.6
345.08240	100.0
346.08545	7.5
369.06116	1.0
369.13324	16.4
370.13818	2.1
425.14490	77.0
426.14847	9.0
491.11749	2.1
507.11563	2.0
539.21277	5.4
540.21826	1.3
553.15790	0.9
563.17639	0.8
597.22394	1.1
646.38379	0.9
653.35809	0.7
715.22363	8.9
715.33264	1.9
716.22565	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	715.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26882	0.5
55.62140	0.5
57.03434	0.7
59.01376	4.4
59.13466	0.6
61.98831	3.0
67.11107	0.5
69.03448	1.5
71.01381	5.5
71.52385	0.8
72.99323	1.0
73.02910	0.5
77.03974	1.2
81.03458	0.6
83.01389	3.4
85.02950	1.6
87.00867	11.1
93.03482	0.6
96.96023	0.8
97.02960	1.2
99.00864	3.4
109.02957	1.6
110.00125	0.7
111.00878	5.3
111.04512	0.8
115.00363	15.7
121.02952	1.9
123.04515	0.6
125.02460	1.1
137.02449	6.7
139.00377	5.3
139.04016	1.5
140.01201	1.4
141.01938	6.6
151.03928	1.3
153.01935	7.2
155.10240	0.6
157.01379	1.7
163.03969	0.6
165.01915	8.1
165.99074	2.1
166.02725	1.1
166.99835	1.8
167.03487	0.9
171.10204	0.9
175.02467	23.7
176.02802	0.6
179.03490	0.6
181.01413	9.1
181.05054	0.8
182.02197	88.7
183.02963	90.5
183.13974	0.6
184.03357	4.3
193.04987	0.8
194.02231	0.8
195.03017	2.6
197.11765	0.7
201.40331	0.6
207.03001	0.8
208.03699	1.4
209.04573	0.9
211.13345	4.0
225.04088	0.8
225.14983	0.6
265.14374	0.7
287.14972	2.1
327.07184	1.7
345.08286	2.5
371.09671	1.6
399.12564	0.8
425.14551	1.2
428.14307	0.6
495.98065	0.6
539.21295	100.0
540.21600	15.9
597.21832	13.4
598.22174	2.3
599.23297	0.6
611.23505	2.2
615.22833	9.2
616.22968	1.5
635.23242	2.0
653.24677	1.8
655.22223	5.8
656.22430	1.6
679.23145	1.1
715.24048	3.5
715.34497	1.0
716.24689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48280	1.5
51.75528	1.5
52.47724	1.6
53.76035	1.4
55.33687	1.4
59.01376	7.0
61.39912	1.4
61.98832	9.9
63.30727	1.5
69.03461	2.6
71.01376	6.4
71.41163	3.3
72.99314	4.6
74.30180	1.5
75.00873	2.4
83.01389	4.9
85.02956	6.6
87.00874	5.3
89.02406	3.8
95.05049	3.2
96.95949	1.9
97.02959	3.6
97.06567	2.0
99.00903	2.2
101.02438	3.4
104.26033	1.5
104.59034	1.4
109.02943	4.7
111.00872	3.6
113.02481	2.6
115.00405	3.7
121.02950	1.8
123.04534	4.5
125.02483	3.6
137.02449	7.8
139.03975	2.0
141.01953	4.3
153.01961	4.3
163.04070	4.6
165.01929	9.8
166.02608	1.8
169.12389	3.1
171.10266	23.4
174.01692	1.8
175.02480	4.6
177.01979	1.7
177.05592	2.0
178.02641	2.3
179.03488	2.1
181.01436	5.7
182.02199	74.2
183.02966	76.9
183.13956	3.6
184.03270	4.3
191.03453	4.5
193.04980	1.8
195.02945	3.1
197.11841	23.5
198.12122	2.7
203.07150	2.6
205.05084	8.4
206.09485	2.7
207.10178	2.5
211.13387	35.5
212.13799	2.5
217.08702	3.1
219.06712	1.8
223.13327	2.4
225.11371	1.7
233.04520	15.9
234.08810	2.2
235.09833	13.2
241.14441	3.9
245.08279	2.2
247.05989	2.0
247.13368	6.7
253.09254	3.2
262.05707	2.3
262.08450	35.7
263.09149	19.2
267.12137	3.1
285.13382	9.5
289.07196	7.3
345.08255	100.0
346.08670	7.4
369.13397	7.9
383.22174	2.1
401.23514	2.6
425.14523	83.8
426.14737	7.4
433.86591	1.5
503.21683	2.8
521.22223	3.5
539.21381	20.1
540.22009	1.8
597.21967	3.7
615.22327	3.2
617.79077	1.8
619.30371	2.8
637.32196	3.1
655.32971	3.0
715.22528	20.4
715.35339	38.2
716.22504	5.7
716.36011	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	715.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47837	0.5
59.01363	2.3
60.96028	0.6
61.98824	8.0
66.21433	0.6
69.03452	1.0
71.01358	1.6
81.03443	1.9
83.01369	5.6
83.04987	0.7
84.34949	0.6
85.02923	1.6
89.02490	0.6
93.03457	0.9
94.37972	0.6
95.01348	0.7
95.05000	0.8
96.95981	0.7
97.02942	3.7
99.00864	1.6
108.02158	0.8
109.02937	8.0
110.00085	0.7
111.00855	2.0
113.02461	0.6
114.01689	0.6
115.00298	0.7
119.05000	1.3
121.02928	3.0
123.04515	8.8
124.01617	0.6
125.02415	5.6
135.04480	1.0
137.02423	8.6
138.03230	1.0
139.00354	1.6
139.03975	2.0
141.01952	2.8
142.24062	0.6
146.03676	0.7
147.08112	0.8
147.67297	0.6
149.02396	2.0
150.03244	1.1
151.03973	4.6
153.01877	3.9
159.04483	1.6
161.02412	2.2
161.06084	2.2
161.09761	0.7
162.03249	0.9
163.03989	4.3
164.01122	1.0
164.04637	0.8
165.01904	7.9
165.05594	0.8
165.98999	1.4
166.02600	1.6
167.03435	2.6
174.01659	0.6
175.02509	0.6
175.04010	1.4
177.05576	1.7
179.03523	3.2
181.01387	6.1
182.02180	60.7
183.02956	60.4
184.03264	2.6
187.04008	1.7
188.04694	0.9
189.05434	0.8
191.03490	4.1
191.07076	0.9
192.04161	0.7
193.05040	0.6
194.02061	0.8
195.02956	2.2
196.30710	0.6
202.06401	0.5
203.03557	0.8
203.07144	4.5
204.03067	0.6
205.05028	10.6
205.08568	1.0
206.05348	0.6
206.09416	1.8
207.03107	2.7
207.04686	0.7
207.10065	1.4
208.03804	0.9
209.04665	0.5
209.11780	1.2
211.13371	0.7
217.08690	4.1
219.06459	0.7
219.10306	1.0
221.00995	0.6
221.08133	1.4
231.02783	0.9
231.09975	0.6
233.04507	17.1
233.08083	1.1
234.08937	1.7
235.09726	8.8
241.14517	0.8
245.08147	4.3
246.08667	1.0
247.06015	1.8
257.08115	1.0
259.09689	1.1
262.08417	31.5
263.09143	14.1
264.09491	0.8
271.06079	0.6
275.09183	0.7
289.07162	16.5
290.07446	1.6
297.07492	0.8
312.17477	0.8
325.07111	1.1
325.14487	1.2
327.07199	2.1
345.08218	100.0
346.08609	8.8
369.05984	1.9
369.13394	18.3
370.13708	1.3
371.09671	0.9
425.14490	84.3
426.14859	10.3
471.08609	0.6
491.11572	1.0
507.11652	1.4
539.21344	1.6
553.15912	2.3
715.21588	8.3
715.32751	1.9
716.23175	2.2
744.81818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26441	0.3
59.01104	0.7
59.01376	4.9
70.54133	0.3
70.62276	0.4
71.01375	3.1
71.01669	0.3
71.51968	0.7
85.02954	1.1
89.02442	4.1
93.03464	1.4
95.01391	0.6
101.02421	1.8
113.02449	2.9
117.03459	16.2
118.03783	0.8
119.03522	1.3
119.05023	12.4
120.05344	0.7
121.02952	0.4
131.05020	0.6
132.05779	0.6
132.77734	0.4
133.06589	1.5
135.04524	0.3
143.03476	0.5
143.04987	0.9
145.02948	100.0
146.03282	4.8
159.04492	1.2
161.04608	0.8
161.06078	3.5
163.04013	14.0
164.04364	0.5
167.03487	0.6
177.05591	0.5
179.05577	1.1
187.03984	6.8
205.05045	3.0
211.07629	6.7
212.07954	0.6
223.07625	6.2
235.05934	0.5
237.09193	4.5
238.09804	0.6
239.10707	0.8
253.08655	0.9
265.06787	4.3
283.09744	5.2
284.10062	0.5
307.08203	0.4
309.07709	3.1
310.07935	0.5
325.09247	47.1
326.09613	4.5
327.08698	7.7
328.09149	1.0
369.09689	2.3
378.59125	0.4
382.10794	1.0
399.10742	1.0
429.11856	2.5
445.14798	0.6
489.14050	3.3
490.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86267	1.3
59.01368	3.5
60.99303	2.1
61.98828	11.4
67.55712	1.3
71.01360	1.9
72.87844	1.2
76.59141	1.4
78.95885	1.7
83.01371	2.4
84.66932	1.3
86.78740	1.1
88.98808	11.1
99.00861	1.4
104.49323	1.3
109.02911	1.9
111.00880	3.1
121.02914	1.2
137.02438	7.1
139.00360	2.8
141.01918	5.2
153.01906	5.3
165.01938	7.8
165.98994	3.4
181.01433	8.9
182.02194	84.9
183.02969	82.7
184.03204	3.2
195.02905	1.7
209.11842	1.5
223.13382	1.4
229.15421	1.7
327.07312	1.5
348.79333	1.3
369.27240	1.3
440.15891	1.4
533.52466	1.2
621.29083	100.0
622.29352	18.8
709.91278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03455	1.0
58.00579	1.6
59.01377	26.4
61.98829	4.6
65.02177	0.5
69.03445	1.4
71.01379	24.7
71.41872	0.5
72.01698	0.5
72.99284	1.4
73.02944	4.0
75.00852	0.8
81.03441	1.0
83.01376	2.7
85.02935	4.4
87.00876	4.9
87.04485	0.6
89.02437	23.0
90.02751	0.8
95.01362	2.3
97.02939	4.2
99.00854	1.2
101.02436	19.5
109.02941	0.6
111.00885	0.5
111.04507	0.9
113.02444	9.5
115.03960	0.5
119.03480	5.7
125.02427	8.5
126.02855	0.5
131.03502	0.6
133.05159	0.5
139.04076	0.8
143.03500	3.2
149.04529	0.7
161.04561	3.9
162.05075	0.4
179.05617	3.9
182.02187	1.7
183.02936	1.4
199.06067	0.6
208.32076	0.5
217.07210	0.6
221.06606	1.5
221.90335	0.6
234.10393	0.6
235.08180	8.9
239.39008	0.5
253.09238	1.4
255.23268	72.9
256.23639	5.7
263.07758	0.8
277.09259	0.6
287.07800	2.9
305.08694	3.4
323.09811	1.2
364.40170	0.5
379.12280	0.9
397.13461	100.0
398.13800	8.9
415.14532	27.6
416.14664	2.4
520.92218	0.6
623.30927	1.2
653.37408	6.5
654.37646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01364	0.3
64.69994	0.3
69.60689	1.6
80.36286	0.4
306.07361	0.4
353.39178	0.4
407.53500	0.4
425.14389	0.5
677.49744	2.5
713.47308	100.0
714.47632	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05383	0.6
59.01072	1.2
59.01376	23.9
61.41179	0.7
64.91463	0.7
65.00294	0.7
69.50504	1.5
69.50912	3.2
71.01362	1.7
72.99300	2.4
83.01388	1.5
103.05596	0.8
107.01366	1.7
109.02936	1.8
119.05020	2.2
121.02987	0.8
125.02448	3.3
133.06927	2.7
137.02466	1.3
147.04515	61.4
148.04851	2.8
151.00391	7.5
152.01015	0.7
161.02388	1.4
163.00330	2.4
164.01137	1.3
165.05563	51.1
166.05850	1.9
169.01372	4.0
178.99860	6.3
183.57544	0.7
192.00571	0.8
207.06609	37.2
208.06903	2.0
214.02809	1.1
217.45540	0.7
227.03453	1.1
233.88272	0.8
243.03011	3.6
249.87015	0.8
254.02098	1.4
255.02963	10.3
256.03473	1.1
270.01685	1.3
271.02478	26.4
271.05450	1.3
272.03024	2.1
287.01794	4.1
289.07077	1.1
300.02734	45.6
301.03491	21.2
302.03723	1.6
316.02237	22.3
317.02939	10.3
375.12619	0.8
441.08215	1.3
463.08783	100.0
464.09048	12.0
469.55432	0.8
689.58698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26441	0.3
59.01104	0.7
59.01376	4.9
70.54133	0.3
70.62276	0.4
71.01375	3.1
71.01669	0.3
71.51968	0.7
85.02954	1.1
89.02442	4.1
93.03464	1.4
95.01391	0.6
101.02421	1.8
113.02449	2.9
117.03459	16.2
118.03783	0.8
119.03522	1.3
119.05023	12.4
120.05344	0.7
121.02952	0.4
131.05020	0.6
132.05779	0.6
132.77734	0.4
133.06589	1.5
135.04524	0.3
143.03476	0.5
143.04987	0.9
145.02948	100.0
146.03282	4.8
159.04492	1.2
161.04608	0.8
161.06078	3.5
163.04013	14.0
164.04364	0.5
167.03487	0.6
177.05591	0.5
179.05577	1.1
187.03984	6.8
205.05045	3.0
211.07629	6.7
212.07954	0.6
223.07625	6.2
235.05934	0.5
237.09193	4.5
238.09804	0.6
239.10707	0.8
253.08655	0.9
265.06787	4.3
283.09744	5.2
284.10062	0.5
307.08203	0.4
309.07709	3.1
310.07935	0.5
325.09247	47.1
326.09613	4.5
327.08698	7.7
328.09149	1.0
369.09689	2.3
378.59125	0.4
382.10794	1.0
399.10742	1.0
429.11856	2.5
445.14798	0.6
489.14050	3.3
490.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32858	0.6
59.01375	6.5
60.56319	0.7
60.88089	0.7
63.04235	0.8
64.42197	0.7
71.01377	6.3
71.51863	1.4
78.05576	0.6
83.69025	0.6
85.02944	1.6
87.00880	0.8
89.02449	5.8
92.67628	0.8
93.03455	23.6
94.03840	0.8
95.01386	1.1
96.31159	0.7
96.99312	2.3
99.00881	1.6
101.02428	3.2
113.02443	3.2
115.00390	1.9
117.03475	1.6
118.40276	0.8
119.03509	2.3
119.05003	6.2
130.04199	1.2
131.05005	5.4
133.02945	2.7
135.04488	0.8
137.02457	1.0
143.05016	19.7
144.05458	1.0
145.02945	5.4
145.06606	1.0
157.01460	1.9
159.04501	0.7
160.01677	1.3
161.04530	1.3
163.03967	5.7
171.04494	2.7
173.32747	0.7
175.03986	2.9
179.05640	3.2
179.07109	0.8
193.05006	0.9
208.03703	0.9
210.06842	2.7
211.07632	44.1
212.08003	2.0
215.38466	0.8
219.08148	1.0
221.09685	2.1
223.07782	3.7
234.12395	0.9
235.07643	3.0
237.09183	9.0
238.09521	1.1
241.51567	0.8
247.07542	1.0
253.08720	1.6
263.10785	0.8
265.08664	30.1
266.08987	2.7
277.05707	0.9
277.08670	1.3
283.09573	1.1
295.09784	1.5
309.07642	14.3
325.09494	1.2
327.08713	100.0
328.09006	9.9
355.10446	1.1
369.09836	14.2
370.10159	2.0
399.10760	6.8
400.10901	0.9
429.11862	20.5
430.12219	1.9
489.14038	27.5
490.14365	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01378	4.0
61.98827	23.6
69.18653	4.3
71.01385	4.0
71.81655	0.4
72.99285	0.5
73.02930	1.0
78.11204	0.4
78.95900	15.8
80.96532	0.7
81.03451	0.5
83.01402	0.7
83.05015	1.4
85.02942	1.2
87.00871	0.7
89.02425	2.2
94.98102	0.5
95.05003	0.5
95.96451	0.5
96.96954	1.2
97.06603	2.6
98.81005	0.5
101.02424	3.1
105.42915	0.5
113.02437	1.6
116.92853	1.8
119.03497	0.6
125.09717	1.0
127.11290	1.3
150.97919	0.6
151.11278	8.4
152.99580	22.6
155.10776	0.6
161.04587	0.5
163.11301	1.0
165.09105	0.5
169.12332	63.4
170.12695	3.5
171.00639	2.3
171.10207	1.1
195.10190	1.3
199.09808	0.7
201.11305	23.7
202.11632	1.5
209.11816	26.0
210.12201	2.2
213.11304	6.2
214.11627	0.5
227.03273	1.5
227.12881	3.1
235.08072	0.7
245.13925	0.8
253.09364	2.4
253.21735	4.1
277.21695	17.8
278.22021	1.8
279.23312	0.8
363.12119	1.3
381.13190	1.0
411.14282	0.7
429.15222	0.6
431.19128	1.4
437.15619	0.7
449.20184	3.8
450.20734	0.6
455.16888	5.3
473.17883	21.8
474.18356	1.7
488.98792	0.5
536.56970	0.5
601.37762	0.6
691.38354	3.8
692.38544	1.4
709.40717	100.0
710.41083	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.0
59.01374	19.0
59.95335	0.7
61.98841	0.9
69.03445	2.1
71.01379	20.8
71.51881	1.0
72.89493	0.8
72.99309	2.4
75.00883	0.8
83.01401	1.5
84.90655	0.7
85.02950	3.8
86.76208	0.6
87.00877	1.4
89.02442	35.8
90.02794	1.0
93.03458	12.7
95.01362	2.0
96.96004	0.9
96.99326	1.1
99.00898	3.2
101.02445	10.0
109.02952	0.9
111.04422	0.9
113.02444	8.8
115.00370	5.0
116.92844	1.3
117.03460	1.2
119.03515	13.2
119.05007	4.7
123.04499	0.9
125.02419	3.0
131.03532	1.8
131.05023	3.1
133.02945	2.4
135.04500	2.4
137.02344	0.9
139.00343	1.2
143.03503	4.4
143.05025	10.2
145.02901	3.6
149.04552	1.8
157.01428	1.6
161.02516	1.1
161.04523	7.0
163.03973	3.7
169.01389	1.8
171.04506	2.3
179.05605	45.5
180.05945	1.5
182.02208	1.1
183.02942	1.2
210.06850	4.5
211.07626	100.0
212.07964	6.7
217.03456	0.8
222.06882	1.3
223.07628	2.8
235.07658	4.3
237.09184	7.7
239.10730	1.7
249.08846	0.7
250.06357	1.9
265.08652	22.7
266.08984	2.1
277.05603	2.0
283.09579	1.2
309.07666	20.4
310.07986	2.3
312.83801	0.7
325.09320	0.9
327.08716	35.2
328.09003	4.5
345.08017	0.9
369.09793	3.3
399.10712	3.3
429.11850	8.2
430.12198	1.0
489.13977	19.9
490.14291	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01378	4.0
61.98827	23.6
69.18653	4.3
71.01385	4.0
71.81655	0.4
72.99285	0.5
73.02930	1.0
78.11204	0.4
78.95900	15.8
80.96532	0.7
81.03451	0.5
83.01402	0.7
83.05015	1.4
85.02942	1.2
87.00871	0.7
89.02425	2.2
94.98102	0.5
95.05003	0.5
95.96451	0.5
96.96954	1.2
97.06603	2.6
98.81005	0.5
101.02424	3.1
105.42915	0.5
113.02437	1.6
116.92853	1.8
119.03497	0.6
125.09717	1.0
127.11290	1.3
150.97919	0.6
151.11278	8.4
152.99580	22.6
155.10776	0.6
161.04587	0.5
163.11301	1.0
165.09105	0.5
169.12332	63.4
170.12695	3.5
171.00639	2.3
171.10207	1.1
195.10190	1.3
199.09808	0.7
201.11305	23.7
202.11632	1.5
209.11816	26.0
210.12201	2.2
213.11304	6.2
214.11627	0.5
227.03273	1.5
227.12881	3.1
235.08072	0.7
245.13925	0.8
253.09364	2.4
253.21735	4.1
277.21695	17.8
278.22021	1.8
279.23312	0.8
363.12119	1.3
381.13190	1.0
411.14282	0.7
429.15222	0.6
431.19128	1.4
437.15619	0.7
449.20184	3.8
450.20734	0.6
455.16888	5.3
473.17883	21.8
474.18356	1.7
488.98792	0.5
536.56970	0.5
601.37762	0.6
691.38354	3.8
692.38544	1.4
709.40717	100.0
710.41083	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	94.1
61.98816	16.8
71.01365	6.4
71.35905	9.4
78.95879	8.4
88.98813	7.1
110.29053	3.8
152.99629	4.5
156.35872	5.2
171.10275	5.8
183.13820	11.0
196.25412	4.7
199.09729	20.9
209.11871	7.5
211.13368	100.0
225.11317	7.3
235.08057	7.9
248.57321	4.4
253.09274	8.2
332.91190	4.4
354.85556	4.2
435.18683	5.3
447.22302	10.9
622.57190	4.9
677.35925	6.4
709.35095	35.4
710.35425	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
61.80587	0.4
61.98835	0.5
63.96237	1.5
69.03444	0.6
70.33144	1.0
70.33495	0.4
71.01377	8.5
73.02941	1.7
74.97691	0.3
78.98583	6.8
79.95335	0.3
79.95730	13.2
80.96514	82.0
81.03444	0.9
84.97311	0.3
85.02934	2.9
87.00875	3.3
94.98081	20.1
95.01408	0.4
96.96011	1.4
97.02961	2.0
99.00847	0.6
101.02435	2.5
106.98083	3.5
113.02434	0.4
122.97577	4.3
125.02448	3.5
134.97594	5.6
136.99133	1.7
146.97539	0.5
148.99126	6.9
152.98590	6.5
152.99634	1.2
154.00067	0.4
164.98627	13.7
165.50261	0.4
167.00208	0.6
171.10226	2.1
206.99689	3.0
207.83939	0.4
211.13411	3.5
212.13681	1.7
225.00732	21.1
226.01144	0.5
253.21748	0.5
254.22246	0.5
255.23294	3.0
279.23196	0.7
283.05023	0.6
349.28665	0.3
453.14282	3.9
471.20105	0.8
472.20325	1.5
473.20602	1.4
537.27295	1.6
552.34894	0.4
709.38330	100.0
710.38678	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	709.3928
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
50.26341	0.5
55.29490	0.7
57.03449	0.8
59.01356	1.8
61.98828	7.8
65.11198	0.5
66.63323	0.5
68.88995	0.6
71.01388	1.3
71.52287	0.7
78.95898	31.1
80.02656	0.8
80.96512	1.2
81.03448	0.7
83.05025	2.7
85.02972	0.5
87.32523	0.6
88.84298	0.6
95.05025	1.0
96.96946	2.0
97.06570	1.3
101.02427	1.3
109.01787	0.5
125.09704	1.7
127.11283	3.3
132.26833	0.6
139.11243	0.6
151.11295	3.2
152.99580	43.1
153.99861	0.9
155.10779	1.8
163.11301	2.9
165.09203	1.3
165.12837	1.8
169.12332	11.3
171.00636	5.8
171.10222	1.6
181.12273	0.8
195.10213	0.8
201.11302	45.0
201.47833	0.6
202.11658	2.9
209.11810	53.5
210.12163	3.2
211.13310	0.7
213.11220	1.6
227.03247	3.8
227.12869	5.8
245.04289	0.7
245.13907	1.4
253.21704	8.9
277.21695	13.1
278.22086	0.7
363.11987	1.8
381.13095	2.5
411.14120	1.4
429.15274	1.8
437.15833	1.3
455.16843	10.2
473.17892	38.0
474.18192	3.0
526.85699	0.6
616.61365	0.7
665.36609	0.7
691.38391	7.6
692.38171	1.3
709.39569	100.0
710.39923	20.8
725.32330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.48906	0.3
63.57965	0.3
70.71047	0.4
70.77782	0.8
78.95921	0.4
79.95715	0.4
80.96507	1.7
91.06634	0.3
94.98103	0.3
112.25476	0.3
152.99628	1.1
171.10284	0.4
179.52132	0.3
209.71297	0.4
211.13419	0.5
225.00790	0.4
252.66176	0.3
273.38525	0.3
277.21768	0.5
279.23300	0.4
304.86594	0.3
398.27759	0.3
401.81561	0.4
480.05432	0.3
571.65662	0.4
691.38702	0.6
708.40570	0.4
709.37958	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71423	0.5
54.43007	0.5
56.59802	0.5
59.01383	9.7
61.98828	1.3
68.99573	0.8
71.01382	3.6
73.02938	0.7
78.95898	8.4
80.96510	0.9
83.05055	0.7
85.02953	1.3
87.00853	0.5
89.02448	1.6
93.55072	0.5
96.69900	0.5
96.96949	0.8
97.03007	0.5
101.02455	2.9
101.37753	0.5
109.06586	0.9
112.98540	0.7
113.02465	1.6
119.03478	0.6
121.75436	0.4
127.01130	0.5
131.77353	0.4
152.99570	9.9
161.04517	1.3
163.11227	1.5
167.14404	0.6
171.00711	1.2
171.10272	3.9
179.05688	0.4
181.12379	0.5
183.13898	4.3
193.12280	1.4
200.33426	0.4
207.10242	3.4
211.13382	89.4
212.13724	5.4
225.11285	7.0
226.11761	0.6
227.03326	0.6
234.12399	0.5
235.08221	5.0
253.09253	9.5
253.21745	1.7
255.23152	0.6
277.21698	100.0
278.22055	9.9
279.23364	0.6
349.08316	0.5
358.12329	0.6
361.10706	0.5
399.13757	0.6
429.21271	1.0
447.22223	3.0
453.15240	7.3
454.15628	0.6
471.16199	1.9
513.30194	0.8
689.36774	10.4
690.36682	2.5
707.37262	4.3
708.37341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.6
61.98813	1.8
68.18232	0.4
69.51096	2.2
71.01379	6.1
73.02940	1.9
78.95905	2.1
83.01369	1.1
85.02953	2.5
87.00854	0.4
89.02454	2.0
98.19875	0.5
99.00885	0.7
101.02435	3.4
109.06475	0.6
112.98776	0.4
113.02462	2.3
119.03511	0.9
152.99576	3.6
159.03029	0.5
161.04533	2.7
163.11302	0.5
171.10307	0.6
179.05516	0.5
181.12312	0.7
183.13881	0.7
207.10127	0.7
207.13866	0.6
209.11766	0.9
211.13364	13.0
212.13689	0.7
221.90836	0.4
225.11259	1.5
243.12347	0.6
253.09358	1.2
261.22195	0.4
277.21689	100.0
278.22034	10.7
291.23083	0.4
369.19431	0.5
387.20218	9.4
388.20581	1.0
447.22253	0.7
453.15308	1.2
471.16379	2.1
707.37726	3.4
708.38220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98828	100.0
63.08496	0.2
64.57734	0.2
64.87745	0.2
66.71590	0.1
70.52285	0.1
70.52621	0.4
71.48214	0.1
78.95907	1.8
80.96502	0.2
109.06570	0.2
115.28107	0.2
131.85413	0.1
152.99580	1.8
171.00653	0.3
171.10249	0.4
172.10713	0.2
174.13304	0.2
185.11681	0.2
199.09595	0.2
207.10332	0.4
208.10625	0.4
211.13351	1.1
212.13853	0.6
217.27000	0.1
223.73627	0.2
225.11368	0.7
226.11703	0.3
254.22279	0.2
255.23242	0.3
277.21698	1.1
278.21957	0.8
279.23312	0.6
289.32178	0.2
453.15509	0.3
454.15771	0.4
471.16583	0.6
472.16617	0.5
473.17618	0.2
690.37671	0.5
708.38184	2.0
709.39722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98826	0.8
69.03473	0.3
69.40655	0.5
69.41065	1.0
71.01373	2.5
73.02943	0.7
78.95905	3.0
83.05042	0.3
85.02962	0.6
87.00876	0.5
89.02449	1.7
95.01359	0.3
95.05022	0.4
96.97000	0.2
97.02946	0.2
98.19856	0.3
101.02433	2.1
109.06572	0.9
113.02419	1.0
119.03503	0.4
125.02418	0.2
133.39218	0.2
140.32756	0.2
143.03516	0.2
145.05078	0.2
152.99582	3.9
155.10753	0.2
161.04533	0.6
161.09714	0.2
163.11279	0.8
165.12846	0.2
167.10728	0.3
167.14407	0.7
171.00577	0.5
171.10255	1.3
179.05606	0.5
181.12360	0.3
183.13878	6.7
184.14175	0.4
189.09161	0.4
193.12311	1.7
199.09738	0.6
207.10239	1.6
211.13377	100.0
212.13731	6.6
225.11288	2.5
235.08168	1.6
253.09283	6.4
253.21645	0.8
254.09718	0.5
259.20554	0.3
277.21695	51.7
278.22018	4.3
354.14749	0.2
355.23029	0.2
361.10513	0.4
429.21393	0.9
435.14105	0.5
447.22314	5.0
448.22498	0.5
453.15192	3.3
454.15540	0.4
471.16129	1.4
513.30981	0.3
689.36554	3.9
690.37195	0.8
707.37402	2.4
708.37585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02998	0.4
61.98823	0.9
62.16961	0.4
69.03451	1.0
78.95901	33.0
96.96953	2.7
134.98524	0.4
150.97978	0.8
152.99580	37.1
153.99939	0.8
171.00627	3.6
183.13895	9.5
184.14360	0.5
193.12352	2.4
209.02148	0.4
211.13382	100.0
212.13739	7.1
227.03235	3.0
243.15976	0.5
245.04315	1.1
253.21718	17.8
254.22055	1.5
255.23386	0.6
292.76947	0.4
295.43475	0.5
347.12646	0.6
379.15274	1.6
396.44510	0.4
421.16113	1.3
439.17328	5.0
440.17453	0.9
471.19971	58.4
472.20392	5.7
651.58923	0.5
675.39026	2.1
707.41388	27.6
708.41663	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	707.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	3.8
61.98817	2.5
71.52736	1.4
81.76527	1.0
92.86781	1.1
103.86987	1.2
107.01424	1.1
151.00348	3.3
152.99580	2.3
160.69986	1.7
185.05983	1.3
191.45102	1.1
211.03938	2.9
211.13303	6.0
227.03487	73.6
228.03793	4.4
255.02985	92.5
256.03549	11.4
277.21704	4.6
284.03244	63.0
285.03934	18.6
286.04297	2.1
318.89743	1.3
345.30292	1.3
707.30603	100.0
708.30865	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14751	0.4
52.15013	0.5
57.03433	0.9
58.00587	1.3
59.01376	17.0
61.98823	3.0
69.03446	1.6
69.22758	3.1
69.23163	1.3
71.01378	16.3
71.01779	0.6
72.99294	1.1
73.02920	2.4
75.00874	0.5
81.03445	1.2
83.01377	1.5
83.05022	1.4
85.02937	2.5
86.03328	0.4
87.00864	3.6
88.98797	0.7
89.02441	15.1
95.01404	1.4
96.95981	1.3
97.02928	3.1
99.00883	1.0
101.02437	10.5
109.06564	0.8
111.04454	0.5
111.08147	10.9
112.08427	0.5
113.02444	5.2
116.92853	0.6
119.03513	3.7
120.82619	0.5
125.02419	3.4
127.07633	0.7
131.03468	0.5
131.25186	0.4
133.05064	0.4
139.04022	0.7
141.09265	0.6
143.03528	2.3
145.02975	0.6
151.11263	1.3
153.12805	1.2
161.04565	2.5
163.11276	1.1
165.12822	0.7
167.10721	0.5
169.12331	5.0
171.10265	3.7
174.76581	0.5
179.05614	3.9
181.12289	1.9
182.02284	0.9
183.13841	2.0
184.89220	0.5
185.11821	1.4
197.11813	46.4
198.12129	3.2
199.13338	3.7
201.11313	1.6
202.38521	0.5
207.10280	0.6
209.11815	17.6
210.12138	3.5
211.13474	11.7
212.13683	0.9
215.12846	0.6
217.06923	0.6
221.06703	1.3
225.11304	0.8
227.12885	4.3
228.13167	0.6
229.13556	0.5
235.08211	3.5
253.09251	3.5
255.06514	0.8
263.07727	0.9
263.20026	2.8
265.18109	1.2
273.18634	1.1
287.07678	0.8
291.19632	13.5
292.19934	1.5
309.20688	100.0
310.21045	11.4
323.09937	0.5
397.08307	1.0
397.13467	17.5
398.13788	1.7
415.14536	35.4
416.14984	3.1
445.20963	1.0
447.22031	0.8
526.73083	0.4
533.14087	0.6
551.18500	0.5
687.07214	0.5
689.33508	0.8
707.34650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81973	0.3
57.66399	0.3
58.00597	0.4
59.01379	100.0
60.01718	0.8
61.98822	0.5
67.25400	0.3
71.01394	1.9
71.52090	0.6
73.02934	0.8
78.95912	1.8
89.02458	0.7
101.02444	0.8
107.05002	0.5
113.02531	0.5
119.79856	0.3
121.84418	0.4
139.66866	0.3
152.99544	2.0
163.11334	0.5
169.15613	0.3
184.22795	0.4
197.11812	0.8
205.12306	3.3
213.32510	0.4
223.13397	0.8
234.91631	0.4
242.12636	0.4
255.23366	0.8
273.22305	0.8
277.21701	14.2
278.22116	1.3
280.25861	0.3
291.23251	6.6
301.21542	0.7
319.22702	1.7
349.24072	0.5
469.14969	0.6
599.65948	0.4
605.10004	0.5
705.35004	1.6
706.43878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
58.00592	1.5
59.01376	27.1
61.98809	2.9
64.40530	0.8
68.74715	0.9
71.01379	12.7
72.99298	1.6
73.02940	6.5
78.95877	1.4
83.01373	1.3
83.04996	1.1
85.02940	1.6
87.00851	1.7
89.02448	6.9
95.01313	1.1
95.39127	0.9
98.20670	1.9
99.00809	1.0
99.04446	1.2
101.02436	6.2
113.02433	5.0
116.56436	0.8
117.78619	0.8
119.03452	3.2
137.09668	1.1
141.40111	0.9
152.99568	1.3
153.09167	1.9
161.04509	2.1
165.09204	10.4
182.02184	3.5
183.02948	3.4
187.11264	3.8
205.12341	1.6
209.11798	11.1
223.13354	1.6
253.09351	0.9
255.23279	0.9
273.22290	4.5
277.21707	100.0
278.22107	10.5
291.23297	41.9
292.23575	4.0
295.88739	0.9
301.21771	4.6
319.22705	16.3
320.23059	2.1
331.22647	1.0
349.23630	1.6
355.88281	0.9
379.24973	1.2
385.18631	2.8
387.94727	0.9
591.27881	4.3
645.39569	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	707.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11258	0.4
57.44448	0.5
58.14142	0.5
59.01376	26.5
71.52512	0.4
72.03512	0.4
81.58403	0.4
96.27740	0.6
110.58597	0.4
118.01877	0.5
119.08812	0.5
127.11301	3.3
139.11258	1.3
155.10716	1.5
157.12338	18.1
158.12665	0.6
163.83226	0.5
185.11810	13.9
186.12125	1.0
203.12865	100.0
204.13220	5.0
227.03458	1.2
244.70078	0.5
245.13913	62.7
246.14302	4.8
255.02950	1.7
284.03247	2.3
285.03928	0.7
417.08170	2.5
616.86975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
59.64706	0.2
61.98826	2.0
64.09660	0.2
69.03437	0.3
69.23727	2.4
71.01385	2.4
72.99306	0.3
73.02943	0.5
74.68702	0.2
76.87914	0.2
80.02666	0.9
81.03453	0.9
83.01355	0.5
83.05021	4.9
84.02167	1.0
85.02966	0.8
87.00857	0.8
89.02451	1.4
95.05008	0.7
99.00882	0.4
101.02431	1.8
109.06583	0.6
109.46502	0.3
111.00807	0.3
111.08166	0.3
113.02435	0.8
119.03475	0.6
123.08186	0.3
125.02439	0.6
125.06091	0.6
125.09711	0.6
135.08159	0.7
137.09715	0.3
141.26407	0.3
143.03473	0.5
156.55104	0.2
159.10283	1.5
161.04521	0.7
163.11270	3.6
165.12816	2.1
169.12343	1.8
170.66335	0.3
171.10229	6.7
179.05669	0.3
181.12334	0.7
182.02295	0.7
183.02902	0.6
185.11780	0.4
191.10797	0.8
197.11830	1.1
199.13452	1.6
201.11290	0.5
207.10275	0.8
209.11809	100.0
210.12144	6.0
211.13402	2.6
225.11339	2.4
227.12877	16.8
228.13255	1.3
235.08157	2.3
241.14403	0.5
253.09253	6.7
259.15494	1.4
315.39740	0.3
327.02646	0.3
327.21692	0.9
339.09604	0.3
345.08090	0.5
445.20819	2.0
447.22672	0.3
461.20328	0.6
463.21585	0.6
547.57526	0.3
637.32526	0.9
655.33533	0.9
656.34363	0.3
659.33502	0.3
673.33844	0.5
687.31964	1.4
705.32300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.5
58.14588	0.5
59.01379	6.2
61.98828	13.4
65.97271	0.5
66.65469	0.6
69.26518	2.0
69.26954	2.6
71.01379	6.6
71.05007	0.8
72.08085	0.6
73.02934	1.3
79.95754	0.6
80.02682	0.9
80.96517	2.4
81.03449	1.4
83.01381	1.3
83.05026	6.3
84.02173	1.1
85.02952	1.8
87.00869	1.4
89.02436	4.0
94.98084	0.8
95.01380	0.9
95.05041	1.0
97.02950	0.8
97.06609	0.9
99.00880	1.3
101.02436	5.3
102.98550	0.7
109.06606	0.9
111.08143	1.1
113.02425	2.8
119.03490	0.9
125.09712	1.2
130.96370	0.5
135.08105	0.7
161.04556	1.9
163.11292	5.1
164.98634	0.7
165.12840	10.3
166.13153	0.7
169.12273	0.8
171.10255	2.6
181.12308	1.0
182.02176	0.9
183.02908	0.7
183.13885	92.4
184.14226	4.8
191.10677	1.4
197.11743	0.8
199.13435	4.7
204.62068	0.5
207.10240	2.0
209.11812	70.4
210.12123	3.9
211.13374	9.6
212.13644	0.7
225.00639	0.9
225.11345	3.9
227.12848	12.3
235.08138	3.8
243.12468	0.6
250.38695	0.6
253.09206	5.4
345.08450	0.6
419.22986	0.7
445.20728	2.5
463.22031	3.7
538.56213	0.5
612.35242	0.7
655.33575	3.0
656.33160	0.7
673.34326	100.0
674.34680	17.9
705.37775	10.6
706.38104	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	705.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
63.83189	0.7
65.10938	0.7
69.81272	3.9
76.49441	0.7
80.99592	0.7
87.00850	1.0
98.19972	1.3
107.01373	1.1
115.00377	1.1
121.32334	0.7
143.04990	1.0
151.00406	1.3
159.04514	1.2
160.16550	0.7
163.00302	0.9
166.35852	0.7
170.06987	0.8
175.02481	3.4
182.02301	1.0
183.02975	1.2
185.06049	1.0
187.03893	1.3
211.03976	1.2
211.09720	0.8
212.91954	0.9
227.03488	25.2
228.03947	1.7
229.04971	5.6
239.03572	1.4
255.02969	40.0
256.03589	5.3
257.04559	4.0
284.03244	50.1
285.04004	67.9
286.04410	5.8
345.07843	0.9
431.09793	100.0
432.04684	1.5
432.10065	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	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01385	0.6
73.02898	0.2
78.95874	0.1
79.95733	0.2
80.96507	0.4
88.98844	0.2
89.02434	0.2
94.98098	0.3
106.84457	0.1
118.05927	0.2
118.61475	0.1
134.97656	0.1
139.83005	0.1
164.98688	0.2
182.02228	0.3
183.02948	0.4
207.10297	0.3
209.11807	0.5
211.13423	1.2
212.13812	0.3
225.00864	0.2
225.11397	0.3
253.09270	0.2
280.82993	0.2
408.18143	0.2
655.33893	0.2
704.25098	0.5
705.32117	1.0
727.12140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18556	0.5
55.13170	0.6
56.47376	0.6
57.10559	0.5
59.01374	1.5
61.23018	0.6
65.00314	1.1
65.13442	0.5
67.01888	0.8
69.03458	1.0
71.01403	1.2
71.51189	1.0
75.15128	0.7
81.03470	0.7
83.01382	11.6
83.60971	0.6
83.94949	0.7
97.02950	1.8
107.01395	1.2
109.02959	0.9
111.00872	1.4
113.02486	0.6
123.04539	0.7
124.98774	0.9
125.02446	1.3
135.04478	1.3
137.02402	1.1
139.00356	10.6
140.01114	0.8
141.01930	3.6
150.03230	0.7
151.03992	0.8
152.01158	2.1
152.98233	0.8
153.01930	2.9
161.02425	3.3
165.01872	1.7
166.99837	3.6
168.00639	25.8
169.01414	10.0
172.00095	1.0
177.01883	1.1
178.99825	0.9
179.03554	0.8
181.01408	1.4
182.02176	7.0
183.02985	5.5
192.00587	0.8
194.99379	1.5
195.02959	1.0
196.00113	20.0
197.00888	18.2
198.01308	0.9
208.00096	3.4
209.00922	1.1
210.01588	0.9
211.02377	1.5
220.94191	0.7
221.00879	1.8
227.07089	2.3
231.74460	0.7
233.00703	0.8
234.01668	2.3
235.02417	1.1
247.02420	1.2
249.00418	0.8
250.01144	1.1
259.99625	1.0
289.07101	0.7
300.02725	0.6
318.03653	1.4
331.06680	2.5
341.08688	1.0
343.08432	1.4
344.01617	1.2
345.02090	1.1
345.08142	4.2
346.08603	0.7
359.06171	100.0
360.06479	6.4
371.06131	6.2
397.07602	0.8
401.06839	0.8
481.09796	2.2
507.07660	2.5
515.85480	0.7
525.08887	1.1
605.19836	0.6
687.13580	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	85.6
61.98821	75.2
78.95889	61.9
142.05489	24.3
171.10281	60.9
178.19234	26.1
220.14636	22.7
255.23199	100.0
277.21609	43.6
296.23169	33.1
306.57434	21.4
424.53339	22.2
680.52533	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59879	18.1
54.99889	19.6
61.98801	45.0
66.18812	22.6
76.28114	22.0
78.95893	35.5
79.10387	20.2
96.46212	20.6
96.90574	19.2
98.20657	72.8
171.10167	42.8
179.54140	20.7
195.57619	20.4
255.23251	100.0
256.23663	31.4
277.21655	41.8
347.26566	20.1
415.32227	23.5
442.51978	21.4
695.52356	24.6
703.48633	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	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20891	0.1
61.98828	100.0
62.98523	0.2
63.84132	0.1
69.18243	1.3
71.01394	0.5
78.95895	0.2
80.96502	0.2
89.84207	0.1
98.20670	0.3
131.83850	0.2
182.02197	0.2
183.02979	0.2
207.10204	0.3
209.11772	0.3
211.13399	1.1
212.13676	0.3
218.24217	0.2
225.11348	0.2
243.82458	0.1
253.09445	0.2
321.11160	0.2
468.49756	0.2
476.76044	0.2
477.98718	0.2
490.21576	0.2
690.23560	0.2
705.31793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93060	0.2
51.53569	0.2
61.98827	100.0
63.81088	0.1
74.05506	0.2
98.20641	0.5
117.20208	0.2
119.46087	0.2
148.56200	0.2
179.73714	0.2
194.89293	0.2
207.49385	0.2
229.05966	0.2
284.91660	0.2
568.14972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.61800	0.5
59.01390	1.1
61.98837	3.3
62.43647	0.6
65.00330	2.2
69.03467	1.5
70.82246	1.2
71.01379	1.9
75.00848	0.7
77.03983	1.4
81.03463	2.2
83.01397	5.1
85.02960	0.7
87.00868	0.6
93.03465	1.0
95.01396	1.1
96.96030	0.7
97.02944	1.9
99.00871	2.5
101.02418	0.6
103.11706	0.4
108.42630	0.5
109.02956	5.3
109.06659	0.7
110.00087	0.9
111.00890	4.3
111.04600	0.5
121.02959	2.9
123.00908	1.2
123.04536	1.0
125.02426	1.9
135.08118	0.7
136.98817	3.2
137.02441	9.6
139.00395	2.8
139.04008	2.0
140.01152	0.6
141.01930	6.5
149.02415	0.8
151.03973	1.0
153.01930	43.7
153.09250	0.7
154.02327	1.7
155.03516	0.9
157.12317	1.3
161.02621	0.7
163.04057	1.0
165.01909	10.6
165.99057	2.2
166.02649	2.2
166.99849	1.5
167.03482	1.5
169.12285	1.0
171.10226	1.6
175.02521	1.1
177.01942	1.0
177.05602	0.7
179.03505	1.2
179.31483	0.6
181.01424	72.4
182.02197	85.4
183.02966	100.0
184.03328	4.3
185.11789	1.5
189.59856	0.5
193.01443	0.9
194.02225	1.3
195.02948	2.0
207.02985	4.5
209.04469	0.7
209.11807	1.7
219.02986	0.6
225.04070	1.2
225.11354	1.2
231.02905	0.6
235.08058	0.6
237.04077	0.6
249.04065	1.3
285.06119	1.3
309.06134	1.0
327.07175	89.5
328.07480	6.3
329.23361	1.2
345.08246	34.4
346.08365	2.8
357.26450	1.8
373.25751	1.8
375.27487	37.7
376.27686	4.0
449.39969	0.7
639.24933	1.0
703.35413	94.1
704.35712	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	702.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53398	0.1
61.98827	100.0
62.98539	0.2
69.40185	0.5
69.40584	0.2
104.69685	0.1
116.95197	0.1
171.10344	0.2
179.68344	0.1
197.11858	0.3
209.11897	0.2
211.13411	0.3
459.37155	0.1
624.33368	0.2
642.33936	0.1
671.32806	0.3
675.12720	0.1
703.35864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03441	0.5
57.54849	0.3
59.01369	0.6
59.58998	0.3
61.98855	0.3
69.03444	0.8
69.31321	2.0
69.31722	0.6
71.01374	1.2
75.00883	0.5
77.03995	0.4
79.01884	2.2
81.03450	0.6
83.01375	2.2
83.05002	0.3
84.97090	0.3
85.02934	0.7
89.02424	0.4
95.01357	0.5
97.02944	1.1
99.00872	1.2
104.40668	0.4
109.02950	0.7
109.45517	0.3
110.00066	0.6
111.00888	2.0
113.02426	0.4
121.02927	1.2
123.00900	0.6
123.04508	0.5
125.02447	1.2
129.36435	0.3
137.02435	5.5
138.03221	18.5
139.00410	1.0
139.04073	1.6
140.01184	0.8
141.01936	3.2
149.02440	0.5
149.37016	0.3
151.00346	0.8
151.03969	0.9
152.01048	0.6
153.01953	3.8
155.03522	0.5
165.01910	5.4
165.99066	1.1
166.02695	8.2
166.99825	0.8
167.03481	10.4
168.03845	0.5
170.02196	7.8
175.04018	0.4
177.02013	0.7
179.03535	0.6
181.01401	3.1
181.04939	0.4
182.02194	60.1
183.02962	58.5
184.03299	2.2
193.01421	0.5
193.05002	0.7
194.02190	27.1
195.02957	10.6
196.03418	0.6
207.03027	0.9
207.05077	0.8
221.04597	0.4
225.03981	0.5
226.01248	0.6
303.07297	0.6
315.07306	0.7
329.08862	0.4
345.08221	97.9
346.08557	7.0
357.08228	100.0
358.08615	6.8
703.17145	7.0
704.17560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.2
59.49533	0.7
60.52208	0.7
61.98808	3.0
63.96228	1.6
69.16740	7.9
71.01376	10.2
73.02943	2.2
73.24618	0.7
78.98595	6.3
79.95282	1.3
79.95727	16.4
80.96512	81.2
83.01363	1.6
83.04993	1.0
83.43382	0.6
85.02952	4.0
87.00887	3.9
89.02412	0.7
94.98080	18.4
95.01369	0.8
96.96008	4.6
97.02942	2.2
99.00850	2.5
101.02430	4.3
106.98062	3.7
109.02853	0.8
109.06587	0.9
117.47801	0.7
122.97556	4.3
125.02438	3.9
125.05968	0.8
125.09753	0.7
127.04014	1.7
134.97560	6.8
136.99097	1.8
139.55424	0.7
141.01883	0.9
145.60074	0.9
146.97482	0.9
148.99152	6.8
152.98647	6.1
157.08638	2.0
164.98611	13.8
165.98886	1.0
167.00018	0.9
171.10219	2.2
181.01425	0.8
181.12355	0.9
182.02164	1.6
183.02914	2.4
197.11827	2.4
206.99669	2.1
207.10255	4.3
209.11794	11.2
211.13351	1.7
212.94447	0.8
223.22043	0.7
225.00731	19.9
225.11307	7.2
227.12778	2.0
253.09174	1.4
306.07483	0.9
310.42136	0.8
345.08102	1.6
461.20047	1.2
471.68658	0.8
613.53510	0.9
629.32593	1.2
653.31403	2.5
671.32501	1.7
703.29913	100.0
704.30219	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	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39351	0.6
59.01370	3.1
60.76030	0.5
61.98829	25.2
63.70513	0.6
69.03440	0.7
71.01392	2.0
71.52364	0.7
71.52785	0.9
73.02946	0.6
81.08694	0.7
83.01389	1.9
85.02934	1.1
86.54498	0.7
88.00748	0.6
89.02450	1.4
90.96376	0.6
91.66492	0.7
97.02971	0.9
99.00888	1.9
99.23902	0.6
101.02455	1.6
111.00848	1.2
113.02461	1.1
120.57236	0.7
121.02951	0.9
125.02463	0.8
137.02460	2.7
139.00288	0.8
141.01909	1.7
153.01945	1.8
161.04538	1.0
165.01917	1.7
165.99025	0.6
167.14433	0.9
171.10298	1.4
173.64317	0.6
181.01393	0.8
182.02216	14.1
183.02977	15.9
183.13896	6.1
189.93100	0.7
193.12325	2.1
199.13390	1.5
204.14014	1.5
205.02148	0.6
208.13408	1.3
209.11786	1.2
211.13377	100.0
212.13689	5.4
223.13301	1.1
235.08163	1.8
253.09358	4.0
265.22571	0.7
270.14813	0.7
288.16238	1.1
330.16931	0.8
332.15161	1.3
356.14746	0.8
374.16055	1.5
387.25314	1.2
429.21286	2.1
447.22379	9.2
448.22394	1.2
518.20123	2.3
623.34277	5.7
624.34613	1.7
640.22614	0.7
641.35339	4.0
702.23938	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50776	0.6
57.03451	0.7
59.01368	1.1
61.98830	2.4
65.00332	1.1
68.99839	0.6
69.03459	1.7
70.66618	1.8
71.01385	1.2
73.02943	0.6
77.03988	0.9
81.03474	1.6
83.01371	4.3
85.02951	0.8
93.03442	0.8
95.01389	1.2
95.05019	0.7
97.02956	1.7
99.00880	2.3
100.84747	0.5
109.02941	4.7
110.00098	1.6
111.00871	3.5
113.02420	0.9
121.02946	3.1
123.00876	1.5
125.02424	1.3
125.09612	1.0
135.00876	1.1
135.04555	0.8
136.98802	3.0
137.02429	9.6
139.00397	3.8
139.04012	2.4
140.01141	0.9
141.01952	5.6
141.09097	0.5
149.02428	0.5
151.03981	1.1
153.01924	45.0
154.02267	2.0
155.03572	0.6
161.02388	0.7
163.04111	0.7
164.01117	0.7
165.01924	10.9
165.99045	3.3
166.02675	1.8
166.99847	2.2
167.03520	1.9
171.10294	1.9
177.01947	1.4
179.03490	1.4
181.01416	68.4
182.02194	89.3
183.02966	100.0
184.03337	3.9
185.11784	1.0
190.76962	0.5
191.03531	0.6
193.05115	0.7
194.02232	1.0
194.98267	0.5
195.03003	2.5
197.11732	0.8
199.13449	0.6
201.28732	0.5
207.02998	4.9
209.04538	0.7
209.11780	0.7
215.12843	3.1
221.04576	0.7
225.04004	1.7
237.03943	0.7
249.04021	2.1
285.06277	0.8
309.06137	0.8
313.23785	0.7
327.07181	87.6
328.07510	7.4
332.19849	0.6
343.24933	3.8
345.08221	43.5
346.08508	3.5
355.24783	0.9
371.24255	1.2
373.25912	36.3
374.26221	3.9
554.23120	1.3
701.33838	87.3
702.34222	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	701.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.80706	0.2
59.01376	6.8
61.98840	1.0
69.03438	0.5
69.62925	0.9
69.63334	0.5
71.01390	1.2
76.91404	0.2
83.01387	0.4
85.02955	0.4
87.00890	0.3
89.02455	1.2
97.02927	0.4
98.19817	0.4
101.02441	1.4
111.00800	0.2
111.08114	0.2
113.02444	0.6
119.03453	0.2
125.09612	0.2
137.02458	0.8
139.00337	0.3
141.01984	0.2
145.05037	0.3
153.01929	0.5
155.10733	0.3
161.04530	0.7
165.01884	0.8
165.12738	0.2
166.02264	0.4
167.10750	0.3
167.14374	0.5
171.10258	0.7
172.10590	0.6
179.05588	0.6
181.01390	0.6
182.02196	7.5
183.02896	7.0
183.13898	5.7
184.03316	1.9
184.14174	0.3
193.12376	1.5
202.24376	0.2
211.13373	100.0
212.13727	5.7
235.08221	1.8
236.08528	0.3
247.53014	0.3
253.09236	3.2
387.25705	0.5
405.26349	0.3
429.21207	1.8
447.22324	9.1
448.22742	0.9
597.32727	0.4
623.34161	1.6
624.34796	0.3
637.28601	0.3
638.28906	9.8
639.29468	1.5
641.35535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18198	0.3
53.01456	0.3
57.03450	4.5
58.99606	0.9
59.01378	2.6
63.02417	0.3
65.00339	0.5
69.27020	1.9
69.27429	0.7
71.01373	1.7
81.03450	1.7
83.01379	6.4
85.02984	0.3
89.02421	1.5
97.02963	1.1
98.20744	0.6
101.02451	1.0
102.98592	6.5
105.35437	0.3
107.01398	1.4
109.02943	0.4
113.02399	0.6
117.18391	0.3
119.03465	0.3
119.05026	3.5
119.38332	0.3
121.02952	0.9
123.04515	3.3
123.25511	0.3
125.02443	100.0
126.02808	2.5
137.02394	0.6
139.04015	3.0
141.01930	0.4
149.02431	11.6
149.03641	0.6
150.02843	0.5
151.00366	2.4
151.04002	0.5
163.00729	1.3
163.03983	0.9
167.03490	20.7
168.03830	1.1
173.02406	0.5
179.03462	1.4
184.13133	0.4
191.03471	3.2
209.04539	16.8
210.04886	0.8
221.04541	0.4
233.04533	6.3
234.35667	0.3
251.05579	1.3
269.06482	0.3
287.07651	1.9
311.07571	0.5
329.08765	1.9
369.11847	1.1
370.12421	0.7
371.09750	58.0
372.10153	4.4
488.10544	0.3
591.09851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78079	0.6
59.01376	1.4
61.98826	8.0
62.85658	0.6
66.48703	0.6
69.16955	4.6
71.01378	1.0
78.60612	0.6
83.01370	2.3
91.41700	0.5
108.02151	1.1
109.02951	34.2
110.03280	1.0
111.00892	0.8
119.05012	0.9
128.03543	1.7
129.01939	0.6
133.19820	0.6
135.04515	1.6
137.02429	3.6
138.03217	0.8
141.01903	1.3
143.04617	1.4
145.61855	0.6
150.03285	1.2
151.00386	0.7
151.04025	0.7
153.01892	3.0
160.01639	1.7
161.02278	0.9
163.04004	1.0
165.01935	19.4
166.02708	0.9
175.02513	0.9
175.03996	2.1
176.04277	0.8
177.01923	0.8
178.02808	0.9
179.03453	4.0
181.01416	2.9
182.02184	4.9
183.03008	5.6
187.03954	0.8
191.03413	1.0
193.01414	6.4
194.02124	1.2
195.02924	0.9
205.01437	1.9
206.02208	1.7
207.03009	9.0
218.99342	1.9
221.04471	1.3
223.06189	0.7
234.01678	13.6
235.02429	17.1
236.02786	0.7
237.04042	0.9
239.05513	4.4
255.03011	0.7
264.27231	0.6
265.03561	2.0
266.04294	51.1
267.05011	20.3
268.05466	1.6
272.08878	0.7
279.05151	0.7
284.03326	0.7
285.04083	3.7
285.06827	0.6
286.04459	2.9
303.04947	3.8
306.07697	2.4
327.07245	1.0
345.08249	6.8
346.08270	0.8
352.07599	0.8
376.07980	7.2
377.08698	3.4
397.07724	3.5
411.09100	1.2
429.10333	37.3
430.10785	3.3
443.05716	0.7
444.06570	1.3
507.11237	1.2
539.14026	100.0
540.14404	12.8
638.12836	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	700.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09665	2.0
59.01385	3.1
61.98812	9.3
66.64361	1.7
69.20464	1.8
69.67535	9.6
69.67929	3.7
73.43259	1.6
77.03962	2.0
78.95911	2.4
99.00841	3.2
111.00848	2.6
137.02446	7.0
139.00407	2.5
141.01869	3.4
149.34856	1.9
153.01907	7.1
165.01892	8.5
165.99042	2.7
166.02625	2.3
171.10249	12.4
181.01488	9.2
182.02185	86.6
183.02948	76.7
184.03322	6.6
197.11761	2.4
203.16861	1.9
211.13356	12.0
255.23264	6.7
256.23404	2.8
293.21176	6.7
619.27289	7.4
621.98547	2.3
637.28558	100.0
638.28699	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	700.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98822	1.5
69.03441	0.8
71.01375	1.1
83.01392	2.3
83.29087	0.6
85.02963	0.7
89.02450	0.6
93.03411	0.6
97.02956	1.3
97.27649	0.5
99.00864	1.5
105.32741	0.5
108.02041	0.5
109.02990	1.0
110.00090	1.2
111.00887	2.6
111.08169	0.6
112.73598	0.5
121.02941	2.2
123.04547	0.7
125.09716	1.2
136.98837	0.6
137.02449	6.2
139.00348	1.7
139.04012	1.2
140.01147	0.7
141.01945	4.0
153.01944	5.4
162.07074	0.6
165.01917	7.9
165.99092	3.1
166.99812	1.8
167.03488	0.8
171.10271	5.7
172.10631	1.9
181.01425	7.5
182.02200	86.5
183.02971	77.1
184.03273	3.4
187.09734	0.6
194.02132	1.0
195.03017	1.1
197.11807	2.1
207.02971	0.6
211.13399	11.5
214.02060	0.6
253.09290	1.6
291.19687	1.0
309.20694	1.8
310.21140	0.8
322.02734	0.6
327.07022	0.8
442.91534	0.6
447.22177	0.8
637.28607	100.0
638.28931	17.8
700.40076	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	700.282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41980	0.5
59.01353	0.8
61.98827	1.6
69.03460	1.0
71.01385	1.3
71.25057	0.6
71.40008	0.8
77.03960	1.3
81.03456	0.7
83.01404	2.5
97.02939	0.8
99.00885	1.3
108.02155	0.7
109.02937	0.7
110.00082	2.1
111.00863	2.8
111.08102	0.6
121.02943	1.8
125.02456	0.7
137.02451	7.1
139.00409	2.9
139.03987	1.2
140.01125	1.0
141.01945	4.2
151.03926	0.9
153.01945	5.1
165.01936	8.4
165.99080	2.9
166.02649	0.8
166.99838	1.9
167.03548	0.6
181.01422	7.7
182.02199	89.7
182.12711	0.6
183.02963	78.8
184.03342	3.7
193.05020	0.9
194.02174	0.9
195.02953	1.3
197.11801	1.1
211.13402	8.1
327.07080	1.3
413.17935	0.6
447.22681	1.1
637.28619	100.0
638.28961	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	700.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88931	1.2
59.01364	2.9
61.98818	5.3
69.03471	1.7
70.56049	3.0
71.01382	1.7
73.02946	1.3
80.95737	1.0
83.01379	3.0
83.05029	1.3
97.02970	1.7
109.04679	1.1
111.00890	2.1
121.02956	1.7
137.02438	6.0
139.00348	2.1
141.01968	2.4
153.01950	4.3
163.27640	1.1
165.01955	7.6
165.99068	2.3
166.99843	2.0
167.03377	1.1
171.10237	16.2
172.10617	4.4
181.01418	7.3
182.02197	77.6
183.02962	76.0
184.03357	2.9
195.02983	1.4
197.11714	1.4
211.13408	8.6
253.09392	2.0
291.19742	2.3
309.20691	3.9
447.22607	1.2
637.28613	100.0
638.29022	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
60.65672	0.1
61.98827	100.0
62.98536	0.1
62.99249	0.1
68.17393	0.1
77.66975	0.1
125.02321	0.1
125.09665	0.1
166.73471	0.1
171.10251	0.4
172.10614	0.1
185.11929	0.1
197.11816	0.1
209.11914	0.1
211.13420	0.2
253.09294	0.1
269.08182	0.1
309.20837	0.1
622.33228	0.4
623.33466	0.1
686.72009	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	699.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55106	1.5
58.68306	1.6
59.01377	2.3
59.74032	1.3
61.98826	19.4
65.00322	2.6
66.70982	1.5
66.75828	1.5
68.02664	1.6
69.03425	1.9
71.00514	3.6
71.01389	2.7
81.03423	1.9
83.01389	5.3
83.18154	1.5
93.03458	1.8
96.96016	2.6
97.02873	1.7
109.02941	5.4
111.00882	4.4
121.02953	3.5
123.04533	1.5
125.09743	2.8
134.03758	2.3
136.98792	4.1
137.02454	10.1
139.00368	3.2
139.04010	1.7
140.01205	1.8
141.01900	5.2
142.52910	1.4
153.01923	42.0
154.02295	1.8
161.02396	1.8
165.01912	11.1
167.03458	3.2
171.10252	7.1
178.02791	1.8
179.03471	2.0
181.01410	64.9
182.00899	1.1
182.02188	95.1
183.02959	100.0
184.03337	6.1
193.05002	3.0
195.02989	1.9
207.02954	3.3
209.11755	3.1
221.04546	6.9
222.05112	1.9
235.02156	1.7
250.92317	1.6
254.05905	3.1
255.06648	2.0
269.08304	2.1
278.36981	1.9
327.07169	79.2
328.07559	6.8
345.08224	47.9
346.08566	4.3
371.24286	33.6
372.24667	3.2
444.03345	1.6
451.09888	1.8
523.61890	1.9
528.89148	1.7
655.16797	6.7
662.52429	1.7
699.32208	75.7
700.32458	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	699.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31616	0.7
58.42477	0.6
59.01348	1.4
60.99261	0.8
61.12522	0.6
61.98829	35.2
65.00282	0.9
68.99800	0.7
69.03440	1.1
71.01348	2.5
71.52554	1.0
72.90182	0.6
73.45164	0.6
81.03426	1.8
83.01379	5.4
85.02889	1.8
85.81203	0.7
88.98798	0.8
93.03420	1.8
95.01372	1.6
97.02901	2.0
99.00860	1.9
109.02943	5.5
110.00073	1.0
111.00870	4.8
116.92829	1.5
121.02918	2.6
123.76010	0.6
125.02398	1.8
128.03534	1.1
135.00854	1.6
136.98811	5.5
137.01472	1.0
137.02431	11.0
139.00365	3.6
139.03973	1.9
140.01103	1.0
141.01930	4.7
143.04614	1.0
145.02910	1.0
145.06158	1.5
151.03964	0.8
153.01929	51.2
154.02243	1.5
161.02437	1.5
163.03928	1.2
165.01924	9.3
165.05588	0.8
165.99049	1.6
166.02687	3.1
166.99789	1.8
167.03473	2.2
174.03221	0.8
177.01846	0.8
179.03389	1.4
181.01418	63.1
182.02196	77.7
183.02972	79.4
184.03273	3.4
190.99655	0.7
191.03493	0.8
194.02173	0.9
195.02931	1.8
207.02968	3.6
207.04620	0.7
209.06215	0.7
211.13316	1.0
219.02940	0.8
221.04474	0.6
225.03999	1.2
234.01630	2.1
235.02403	2.4
245.04448	1.3
249.04048	1.9
251.07158	1.4
261.00150	0.6
267.06604	2.6
271.66080	0.7
279.06610	2.0
285.06308	0.9
294.05457	0.9
294.58151	0.7
301.03635	1.2
307.06256	0.7
307.15591	0.8
323.05701	1.9
327.07187	100.0
328.07462	7.9
329.06735	1.0
338.07974	1.8
341.10275	2.2
345.08243	95.0
346.08597	6.7
353.10269	3.6
371.11221	1.6
373.01950	2.9
374.02661	2.9
375.03458	1.5
379.06622	0.8
397.07751	3.0
491.11981	5.9
521.20313	2.4
536.08344	0.8
553.22894	18.1
554.23462	1.6
609.12903	0.8
655.31097	2.6
669.18848	1.3
699.18378	9.1
699.31183	1.4
700.19421	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	698.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98821	6.2
69.03461	1.9
69.08613	0.6
69.63122	3.8
71.01366	0.9
77.03925	0.6
81.03445	0.9
83.01372	3.2
93.03436	0.8
95.01379	0.9
97.02966	1.3
99.00876	2.1
106.95882	0.5
109.02915	0.9
110.00113	1.1
111.00879	4.0
113.02438	0.8
121.02952	2.5
125.02421	0.8
137.02431	7.6
139.00388	4.6
139.04022	1.4
140.01120	1.0
141.01927	5.2
141.25822	0.5
149.87044	0.6
151.03976	1.3
153.01952	6.5
160.16763	0.5
164.01117	0.7
165.01930	9.3
165.99066	3.0
166.02521	0.9
166.99840	1.9
167.03464	1.0
179.03488	0.7
181.01431	11.5
182.02203	99.2
183.02977	82.4
184.03334	3.7
184.32379	0.5
189.96260	0.5
193.05086	0.6
194.02162	1.6
195.02953	1.9
207.02930	1.3
225.04059	0.9
265.14731	0.7
302.27704	0.7
321.55893	0.6
327.06940	1.5
337.67535	0.5
345.08121	1.8
537.19348	0.9
635.27026	100.0
636.27374	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00510	0.5
59.01377	0.7
61.98828	100.0
69.79856	0.4
71.53063	0.5
71.53439	0.4
76.88987	0.4
78.95930	0.4
116.92853	0.8
169.36958	0.4
225.05547	0.4
278.02872	0.4
526.69489	0.5
698.39618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
60.99292	2.2
61.98817	1.1
65.00317	1.1
70.67438	0.7
71.00338	1.0
79.94450	0.6
88.98804	7.0
99.83800	0.6
107.01369	1.3
108.02187	0.9
109.02962	1.2
115.00353	0.6
117.42259	0.6
121.02946	1.0
137.02406	1.0
148.01689	0.8
151.00357	7.7
163.00310	1.2
163.04065	0.6
175.02454	0.8
178.99846	3.2
182.02220	4.3
183.02951	3.4
191.05544	0.8
226.02682	1.3
227.03548	1.2
233.04518	2.4
243.03000	5.6
245.04654	0.6
254.02145	1.7
255.02988	17.3
256.03308	1.3
271.02454	39.1
272.02911	2.8
299.02158	0.8
300.02725	76.5
301.03421	23.1
302.03952	1.0
345.08282	4.8
345.79306	0.6
387.09308	0.9
609.14551	100.0
610.05768	1.2
610.14899	13.9
648.43976	0.7
699.38116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16032	0.6
60.34257	0.5
61.98816	2.3
65.00304	0.7
67.01905	0.6
69.03456	1.8
70.37829	1.1
71.01389	0.6
77.03961	1.7
77.22543	0.5
83.01389	2.4
95.01381	0.7
97.02955	1.3
99.00871	1.6
109.02905	1.3
110.00083	1.1
111.00860	3.3
121.02972	1.8
123.04478	0.8
125.02548	0.7
137.02435	7.6
138.99426	0.6
139.00331	3.4
139.03987	1.6
141.01921	3.6
151.03943	1.1
153.01904	5.3
165.01904	8.7
165.99109	2.8
166.02594	0.7
166.99812	1.8
167.03462	0.8
181.01398	8.7
182.02191	93.9
183.02960	80.5
184.03250	2.4
186.01703	0.7
194.02136	1.3
195.02928	1.9
207.03030	0.8
225.03934	0.7
289.17981	0.6
310.55911	0.6
327.07077	1.2
487.73465	0.6
635.27008	100.0
636.27325	17.7
636.38000	0.8
660.77887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98832	7.6
69.03451	1.0
71.01379	0.9
71.50700	0.8
71.51080	0.7
77.03965	0.8
78.95910	1.8
79.11993	0.6
79.95737	0.8
81.03451	0.8
83.01385	3.2
94.92487	0.9
94.98074	1.2
95.01388	1.1
96.96009	24.6
96.96975	2.2
97.02938	0.9
98.28152	0.6
99.00877	1.9
109.02985	0.9
110.00085	1.4
111.00878	3.5
111.04507	1.1
121.02958	1.8
123.04487	0.6
125.02412	1.1
137.02443	7.2
139.00368	3.0
139.03989	1.3
140.01164	0.9
141.01970	4.2
151.04016	1.5
153.01920	5.5
163.48152	0.6
165.01913	9.1
165.99052	3.4
166.02701	0.9
166.99849	1.7
177.01999	1.0
181.01440	8.0
182.02200	90.4
183.02965	72.6
184.03282	2.8
194.02159	0.9
195.02965	1.8
209.11632	0.6
277.21863	0.6
288.08191	0.6
304.33249	0.6
327.07162	1.4
465.45560	0.6
586.79645	0.8
635.27045	100.0
636.27356	15.5
673.34644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	2.8
61.98824	11.0
69.03477	1.7
71.01402	1.8
83.01385	4.2
96.96016	1.4
98.20654	3.1
99.00880	1.7
101.02448	1.2
110.00063	1.9
111.00888	2.8
116.92844	1.4
120.81488	1.3
121.02914	2.3
123.00867	1.3
137.02463	9.5
139.00369	2.0
139.03934	1.4
141.01929	5.2
142.23050	1.2
153.01912	5.5
165.01907	9.5
166.02509	1.3
171.10266	8.3
171.84102	1.3
181.01433	10.5
182.02202	94.4
183.02972	78.6
183.04340	0.9
184.03287	3.7
195.02940	2.1
237.91573	1.2
289.18158	2.5
307.19138	1.5
345.08130	1.5
620.31067	1.8
635.27026	100.0
636.27313	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	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50589	0.3
59.01376	100.0
59.34184	0.3
60.01714	1.1
61.98836	1.3
68.20486	0.2
68.20900	0.3
69.18114	2.3
74.34797	0.3
77.09930	0.3
121.02966	2.1
130.98209	0.3
171.10248	2.2
182.02196	2.3
183.03011	1.7
191.03609	0.9
209.04520	1.3
209.11836	0.3
211.13402	0.6
213.42505	0.3
221.83577	0.3
289.18103	0.4
307.19165	0.3
417.01953	0.3
593.13513	1.2
599.87085	0.3
635.26984	2.2
697.32318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54747	3.3
53.46328	2.3
59.01376	43.9
61.98827	62.6
65.03966	4.7
66.11037	2.7
69.03445	2.8
70.91520	2.6
71.01380	17.7
73.02949	5.6
83.01402	3.9
83.05014	3.2
85.02946	6.1
87.00877	8.4
88.10895	2.8
89.02442	10.7
94.40073	3.5
95.01369	3.3
97.06544	3.2
101.02445	13.0
113.02448	9.3
119.03521	2.7
122.92096	2.6
123.08160	3.5
125.09721	14.2
135.08076	5.2
145.05074	3.6
161.04556	3.9
171.10280	20.3
182.02190	3.6
183.02953	7.3
185.11763	6.1
187.14845	5.5
200.06209	3.3
209.11778	8.4
211.13359	11.2
217.12367	4.5
221.15446	4.7
231.13750	14.2
235.08189	6.8
249.14958	6.5
289.18039	6.9
307.19043	3.2
329.24652	7.3
335.23248	3.1
345.67709	2.9
355.22687	3.5
373.23843	11.4
383.22098	8.0
388.68640	2.6
391.24826	7.7
401.23325	32.5
402.23557	3.0
419.24255	11.7
609.32483	14.9
610.32452	3.7
619.31079	42.9
620.31561	5.3
637.32294	100.0
638.32635	14.5
697.32080	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	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.8
61.98827	4.1
64.81917	0.7
65.53484	0.7
78.95898	14.6
78.96329	1.1
80.96501	0.9
96.35797	0.6
112.06071	0.7
137.74516	0.8
152.99591	6.3
185.11853	1.1
201.50955	0.7
279.23264	9.9
285.12689	0.7
380.25659	0.7
415.22485	3.9
416.23184	0.9
433.23251	1.3
471.68799	0.8
523.01471	0.9
653.05878	0.8
695.30963	35.1
696.31415	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	696.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55141	0.4
56.10239	0.4
59.01377	4.1
61.20683	0.5
71.01392	2.9
71.01708	0.6
75.00854	0.7
79.01875	1.4
81.03427	0.8
83.01384	4.6
85.02919	1.5
87.00892	0.6
89.02418	1.8
95.05023	0.8
97.02967	0.5
99.00854	0.7
99.77473	0.4
101.02422	1.1
109.02948	1.6
111.00867	1.7
113.02429	0.5
116.05058	14.2
121.02875	0.5
123.00852	0.5
123.04533	1.8
125.02491	2.3
129.68123	0.4
136.98813	1.1
137.02434	4.7
138.03218	3.9
139.00369	1.0
139.03951	0.5
141.01915	3.4
149.02405	1.0
151.00320	2.6
151.03990	1.5
153.01927	8.6
163.03964	0.9
165.00540	0.9
165.01915	16.0
166.02724	3.2
167.03484	33.4
168.03828	1.3
170.02214	2.1
177.01939	0.9
179.03473	1.1
180.04167	0.7
181.01416	8.6
182.02194	28.5
183.02971	30.1
184.03339	1.0
191.03496	3.2
193.01364	1.4
193.05019	0.6
194.02202	4.6
194.06039	0.5
195.02971	33.2
196.03491	2.1
196.07658	0.7
206.02170	0.8
207.02983	1.1
208.03812	2.9
209.04552	6.8
219.02968	3.6
221.00816	0.7
224.07196	0.7
224.09587	0.4
226.01028	0.8
229.53548	0.5
235.02469	1.4
236.03229	4.8
237.04022	9.7
238.04601	1.0
253.03493	1.1
278.50980	0.4
279.08817	1.0
280.06100	0.6
282.07678	0.8
294.07617	0.5
303.07269	0.6
306.07666	0.7
307.08301	0.5
308.09290	1.6
310.07196	3.6
311.07968	35.2
312.08310	3.3
312.76834	0.5
324.08591	0.5
327.07169	0.4
335.07968	9.1
336.08731	3.3
345.08237	30.3
346.08588	1.9
352.08173	0.8
353.09064	0.9
354.09744	1.1
399.09277	2.2
416.09540	2.7
417.10361	0.9
418.03918	0.5
498.14252	2.1
516.14771	2.1
529.38684	0.5
533.15466	2.9
534.16058	2.1
579.15570	4.7
696.21368	100.0
697.21722	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	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71824	0.4
59.01382	2.1
59.56607	0.4
60.78353	0.4
61.98819	1.4
69.30870	3.8
70.94817	0.4
71.01396	2.1
71.13959	0.4
80.02657	1.1
81.03458	1.0
83.05031	4.6
84.02172	0.7
85.02946	0.7
87.00840	0.6
88.98764	0.5
89.02441	1.3
95.05036	0.7
96.96014	1.1
101.02435	2.2
113.02459	1.4
116.92837	1.0
125.09687	0.6
127.11275	1.3
135.89403	0.6
136.89206	2.8
150.70332	0.4
155.10760	0.5
161.02394	0.6
161.04523	1.2
163.11267	3.3
165.01987	0.5
165.12810	1.6
171.10332	2.6
181.01360	0.4
181.12254	0.5
183.02942	1.1
183.10298	0.4
185.11766	1.1
191.10762	1.1
199.13313	0.8
201.11314	20.3
202.11707	1.1
207.10382	0.7
209.11815	100.0
210.12135	5.9
211.13396	1.0
225.11328	1.1
227.12877	17.0
228.13257	0.9
235.08199	3.1
253.09277	7.8
345.07883	0.6
375.21735	0.4
398.08783	0.4
437.20279	1.5
445.20688	3.1
463.21677	1.1
496.84891	0.4
507.11652	0.6
637.31781	0.8
655.33197	0.6
659.24487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03437	0.6
57.76221	0.3
58.00617	0.5
59.01379	18.0
61.97513	0.4
61.98827	2.1
69.03452	1.1
71.01380	17.7
72.99298	1.1
73.02952	2.2
75.00903	0.5
78.20645	0.4
81.03442	1.0
83.01387	1.3
83.05058	0.6
85.02931	3.0
87.00883	2.9
88.98757	0.6
89.02439	10.3
95.01389	1.2
95.05035	0.6
97.02925	2.1
97.06598	0.4
99.00871	1.3
101.02437	10.6
111.00891	0.7
113.02440	4.6
119.03506	2.8
123.08192	0.4
125.02429	4.1
131.03484	0.6
131.34991	0.4
140.18652	0.4
143.03500	2.2
161.04543	2.0
163.11278	0.6
165.02039	0.6
167.10770	0.5
171.10292	5.4
175.02534	0.7
179.05641	2.9
179.14346	0.8
182.02191	3.5
183.02997	3.1
183.10236	1.1
183.13872	1.6
185.11821	0.7
193.12332	0.5
195.12276	0.7
195.13895	7.8
196.14503	0.7
199.09772	0.7
199.13329	0.5
201.11340	1.2
205.12219	0.6
207.10306	0.7
209.11812	7.1
210.12138	0.9
211.13387	13.4
212.13724	1.5
221.06700	0.7
223.13351	5.4
224.13620	0.6
225.11296	0.9
227.12875	1.7
228.13535	0.6
229.05202	0.5
235.08215	3.5
253.09230	2.3
256.12976	0.8
263.07846	0.5
275.20120	3.9
293.21210	100.0
294.21555	10.1
305.08762	0.8
397.13495	26.4
398.13754	1.8
415.14557	27.1
416.14874	2.6
447.22345	0.6
448.23346	0.4
655.29523	4.5
656.31824	0.5
673.34399	1.2
691.35376	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	695.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
62.86103	0.4
71.24790	0.8
73.42181	0.4
81.03451	2.1
83.01389	0.7
93.64059	0.4
99.04517	0.4
123.04522	18.0
124.04833	0.8
125.02431	4.1
137.08194	0.4
149.02444	0.5
151.00351	0.9
167.03482	100.0
168.03812	4.6
196.18034	0.4
209.04596	0.9
219.59094	0.4
228.20399	0.3
233.04555	0.4
250.65236	0.4
329.08749	40.5
330.09073	2.8
365.06378	6.4
527.12286	0.4
647.28986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80468	0.7
56.57028	0.7
58.80461	0.8
59.01356	1.0
60.99302	4.3
61.98822	1.2
63.65836	0.8
70.70824	2.3
71.01344	0.7
77.03957	0.7
83.01382	2.1
88.98274	1.0
88.98801	13.7
95.01352	0.7
97.02943	0.9
99.00848	1.7
111.00892	2.7
118.35687	0.8
118.88998	0.8
121.02936	2.2
124.74752	0.7
137.02444	5.2
139.00310	3.8
141.01933	3.8
153.01939	4.5
165.01917	8.0
165.99046	2.6
166.02570	1.2
166.99797	1.7
177.01952	0.9
179.03630	0.7
181.01430	7.0
182.02196	93.7
183.02966	76.0
183.04312	0.8
184.03250	3.0
194.02274	0.9
195.02974	1.6
203.05304	0.9
277.21701	1.1
377.32101	0.7
437.70438	0.8
529.01941	0.7
605.29614	100.0
606.30011	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	689.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46190	8.8
54.45432	7.6
59.01376	23.0
61.98819	38.2
71.01374	20.9
76.26978	9.3
78.95906	25.7
85.93499	7.2
89.02437	11.9
98.20663	17.5
101.02448	9.4
113.02393	8.3
152.99538	15.3
157.46664	8.5
186.45624	8.5
255.23204	32.9
277.21527	9.6
397.13623	83.1
415.14624	26.4
473.74359	8.5
653.37439	13.9
689.35321	100.0
690.34796	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	689.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71349	0.5
53.81832	0.7
57.03444	4.3
57.26350	0.5
59.01377	100.0
60.01717	1.0
61.85597	0.8
61.98827	0.8
68.22443	0.7
71.01364	0.7
71.51408	0.7
78.95903	3.4
82.14646	0.6
97.02934	0.7
137.09747	1.1
152.99538	4.0
181.12395	1.6
192.11589	2.1
207.10448	3.4
207.13879	20.6
208.14238	0.9
225.11336	6.4
253.21770	1.6
277.21695	9.4
278.22183	0.9
361.10898	0.9
453.15277	9.4
689.36591	4.9
690.36902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12049	0.3
59.01366	1.0
60.99306	16.8
61.98822	1.2
70.25124	1.2
78.95910	2.5
87.00874	0.6
88.00395	1.2
88.98803	100.0
89.02444	5.6
89.99153	0.8
98.02920	0.3
152.99591	1.5
182.02182	0.7
183.03029	1.0
206.02127	0.4
209.11876	0.5
211.13367	1.1
252.07274	0.3
253.12794	0.3
277.21753	1.6
337.86133	0.4
341.10565	0.4
345.08191	0.8
369.08252	0.7
447.21591	0.6
468.05557	0.3
634.33344	0.4
659.35455	0.8
691.37976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.2
59.01366	9.3
61.98824	8.6
69.66985	10.6
71.01379	12.6
72.99273	2.5
73.02956	2.7
81.03461	2.0
83.01355	2.0
83.05013	6.3
85.02939	4.7
87.00874	3.7
89.02448	5.2
95.05021	1.8
96.96001	1.9
97.02934	4.8
97.06612	1.7
99.00893	7.2
100.84193	1.6
101.02435	9.9
109.06596	4.1
110.03739	2.5
113.02441	5.7
115.00328	2.3
121.02969	1.7
125.02429	2.8
125.09711	4.0
133.05055	1.9
135.04622	2.4
135.08205	1.8
137.02414	2.3
137.09726	1.9
145.05061	2.1
146.08122	1.6
153.12820	2.2
161.02388	2.2
161.04578	3.9
163.11256	11.2
164.11517	1.9
165.12813	3.6
169.12283	2.9
171.10263	70.2
172.10577	2.5
175.02414	4.8
179.05618	2.9
181.12352	12.8
182.02232	4.1
183.02911	5.1
185.11754	7.8
191.10767	1.8
197.11819	4.2
199.09708	8.9
199.13397	16.4
201.11264	14.8
207.10249	25.2
209.11807	100.0
210.12140	6.6
211.13379	3.5
225.11304	64.8
226.11653	3.2
227.12878	46.4
228.13177	3.1
229.14403	2.4
235.08250	7.7
239.13158	1.8
243.12265	8.0
253.09280	14.5
260.18402	1.7
280.31900	2.0
306.07663	3.6
308.43610	1.9
345.08093	6.1
347.91989	2.0
347.96216	2.2
369.62897	1.9
407.19113	3.7
414.39023	1.9
435.23730	2.1
443.19168	2.7
445.20667	3.3
461.20212	13.2
462.20920	2.5
463.21863	4.7
609.28821	2.0
617.31915	2.2
627.30219	7.0
635.30945	4.4
645.31274	9.6
653.31775	11.7
654.32037	3.4
671.32526	16.1
672.33405	3.2
689.33710	33.5
690.34448	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24703	1.1
55.01866	1.1
57.03433	1.8
59.01379	23.3
61.98823	3.9
69.03430	1.7
71.01379	22.0
71.52500	1.1
72.99284	1.7
73.02956	4.3
81.03420	0.9
83.01379	1.9
83.05016	2.0
85.02941	3.6
87.00866	3.4
89.02447	16.1
97.02956	4.5
97.45435	0.8
99.00838	1.2
101.02443	13.7
109.06586	1.1
110.76685	0.9
111.08142	7.9
113.02440	8.3
119.03501	5.7
125.02447	5.7
125.09726	1.1
131.03455	1.3
138.74297	0.9
141.01955	1.0
143.03455	2.0
153.12764	0.9
161.04491	2.2
163.11246	1.6
167.10767	2.2
171.10228	2.9
177.12827	1.0
179.05569	4.1
179.10716	2.1
183.02948	1.8
183.13828	3.2
195.13832	4.7
197.11787	3.1
199.13364	3.7
203.14481	0.9
207.10229	1.5
209.11810	29.9
210.12152	2.6
211.13382	32.4
212.13684	2.7
215.12596	0.9
225.11288	3.8
227.12880	10.8
235.08231	6.2
247.20627	2.3
253.09190	5.6
273.18756	2.0
291.19641	100.0
292.19965	8.8
305.08875	1.7
345.07904	1.3
397.13470	44.9
398.13721	3.9
403.24612	1.0
415.14578	23.6
416.14990	2.2
425.14215	1.1
445.21045	1.5
447.22238	2.0
463.21985	1.6
647.75525	1.0
657.34161	1.8
689.34192	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	689.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
65.00299	0.4
67.01913	0.5
69.88486	1.0
69.88883	0.6
71.01367	1.2
72.80111	0.3
76.10003	0.3
81.03459	0.5
83.01376	4.6
85.02916	0.8
89.02440	1.0
95.01377	0.8
97.02946	0.6
98.19938	0.5
99.00873	0.4
101.02444	0.9
109.02946	1.1
110.00100	0.4
111.00886	0.7
113.02441	1.1
119.03483	0.4
119.05028	0.8
123.00871	0.5
125.02444	0.5
132.02164	0.4
135.00853	0.5
135.04500	0.7
136.98776	0.5
137.02435	1.9
138.03215	3.1
139.00377	1.3
139.03917	0.4
141.01932	9.7
141.15785	0.3
147.04504	0.9
149.02376	1.0
150.03217	1.5
151.03969	0.7
153.01936	7.0
159.04550	0.4
162.03221	0.5
163.00319	0.4
163.03969	1.6
164.01099	1.1
165.01920	2.7
166.02754	2.4
166.99925	0.4
167.03426	2.2
170.02141	1.1
175.03963	0.8
177.01869	1.2
178.02612	1.1
178.99831	0.6
179.03505	2.3
181.01434	11.9
182.02168	3.8
183.02948	4.6
187.03917	0.4
188.65974	0.4
189.01888	0.9
189.05646	0.4
190.02660	1.1
191.03497	4.2
192.00603	1.4
193.01418	2.0
194.02209	4.5
195.02988	4.8
201.01985	0.5
202.06314	0.6
202.99872	0.4
203.03453	1.3
204.04204	0.4
205.01430	1.4
205.05042	0.5
206.02174	4.3
207.02979	2.9
215.03473	1.0
217.01413	1.2
218.02086	0.7
218.05754	1.3
219.02992	5.5
220.00130	1.0
220.03471	0.5
221.00897	17.9
221.04276	0.8
222.01682	17.9
223.02464	17.5
224.02806	0.6
226.01180	0.5
229.05145	0.5
231.03012	2.0
232.03770	0.9
233.00806	1.0
233.04465	1.0
234.01694	3.5
235.02443	7.4
236.02942	0.6
243.02910	1.2
245.00858	0.8
245.04387	0.6
246.05362	1.3
247.02382	1.1
247.99608	2.5
248.03232	1.0
249.00317	1.2
249.04019	0.5
249.98100	0.4
250.01149	1.6
251.01953	2.0
257.04404	0.4
259.02478	3.6
259.05057	0.5
260.03098	0.8
261.04086	2.1
262.01102	1.0
262.04715	0.6
263.01874	3.0
264.02536	0.6
274.04791	2.1
275.05563	1.3
277.03497	0.4
279.01483	9.1
280.01740	0.7
285.03989	1.5
287.01804	1.3
300.02670	0.6
301.03430	1.4
302.04214	5.0
303.01434	2.0
303.05026	5.7
304.02094	0.8
304.05313	0.7
318.03818	1.2
319.04684	2.3
327.07220	2.0
328.02081	0.6
329.02933	1.8
345.02588	3.1
345.08316	2.8
346.03226	3.6
347.03845	1.2
363.03485	3.8
385.07770	8.8
386.08023	0.6
397.07925	0.7
411.05621	2.7
412.06689	0.4
423.09296	0.4
437.10632	0.4
442.07373	3.1
465.10480	4.0
466.07867	0.5
481.09601	0.4
507.13303	1.5
508.08597	1.0
509.09290	4.8
510.09271	0.4
526.09949	2.4
605.13849	1.5
645.16620	6.2
646.17706	0.6
647.14752	0.7
671.14514	2.4
689.15649	100.0
690.15997	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	687.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78368	1.3
53.75816	1.1
59.01365	2.9
59.72896	1.0
61.98830	7.7
63.96216	1.1
69.19119	4.3
69.19547	5.5
71.01385	7.6
72.99300	1.2
78.95891	1.2
78.98587	5.1
79.95738	14.7
80.96516	74.4
85.02939	3.9
87.00855	3.2
88.98771	1.3
94.97571	1.3
94.98091	15.4
97.02942	2.3
98.20673	2.7
101.02449	2.2
106.98084	4.1
111.85601	1.1
122.97556	3.2
125.02454	2.5
134.97560	4.7
145.09167	1.0
147.97758	1.3
148.99202	5.9
150.55600	1.1
152.98611	6.0
158.18204	1.2
164.98611	12.0
182.02188	3.9
183.02859	3.4
184.31454	1.2
206.99673	1.9
209.11775	2.0
211.13370	1.5
225.00719	18.9
255.23322	3.4
687.30518	100.0
688.30872	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98811	3.8
63.96236	1.3
71.01379	7.8
71.43952	1.2
77.69603	0.8
78.95867	1.3
78.98595	6.3
79.95735	12.6
80.96512	71.8
81.17069	0.8
83.43578	0.9
85.02923	2.0
87.00869	2.7
93.61179	0.8
94.98080	14.7
97.02931	2.1
99.00881	0.9
101.02410	2.9
102.42835	0.9
106.98097	4.1
122.97557	3.7
125.02425	2.2
134.97586	5.6
136.99106	1.9
148.99150	5.8
152.98610	4.2
153.03484	0.8
164.98616	10.9
167.00284	1.1
171.10092	0.8
181.01375	1.3
182.02144	1.4
183.02963	2.5
188.98627	1.1
199.13338	1.0
206.99611	2.3
209.11804	1.7
211.13419	1.3
225.00702	18.3
255.23270	2.4
281.24765	1.8
283.04849	0.8
405.26395	0.9
450.43231	0.9
451.29132	0.8
587.27832	0.9
687.30487	100.0
688.30872	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	687.3957
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.82574	0.4
57.03462	0.5
59.01356	1.4
61.98825	1.9
71.01376	1.1
71.53477	0.5
73.02887	0.4
74.41487	0.4
83.01379	0.7
84.15618	0.4
84.39455	0.3
85.02936	1.5
87.00848	0.5
89.02419	0.8
99.04504	0.6
101.02435	0.4
108.02172	1.2
109.02892	0.6
111.08131	0.4
113.02417	0.6
123.04511	0.9
123.08105	0.5
125.02411	1.6
135.08121	1.2
136.05275	0.6
137.02393	0.6
137.06046	0.5
149.06088	3.7
149.09694	0.4
150.06850	35.3
151.00394	0.8
151.07242	1.7
152.01131	3.2
153.01941	0.7
161.02396	0.5
161.52213	0.4
162.06818	0.9
163.07639	7.5
164.08420	8.2
165.01930	0.7
167.03494	5.6
169.01398	1.8
169.51730	0.4
171.10262	0.8
175.03957	0.6
176.08418	0.9
177.09174	0.8
178.09946	1.7
179.10767	17.2
180.11087	0.8
181.01334	0.9
182.02229	2.2
183.02992	2.7
184.03197	0.3
185.03535	0.4
207.10210	0.9
209.04201	0.4
209.11879	0.8
221.00890	0.9
225.11377	1.1
227.06958	0.6
227.12779	0.6
278.18399	0.4
327.07181	1.4
328.07623	0.6
329.07837	0.6
343.24893	0.7
345.08206	2.0
345.22748	5.0
346.08771	0.5
347.08569	0.7
375.27402	1.1
461.32697	0.8
464.31406	5.3
465.31775	0.7
478.33102	0.4
479.33752	9.2
480.34052	1.1
506.32440	1.2
507.33221	2.7
524.33484	3.4
525.12317	1.2
525.34302	28.1
526.34680	4.0
540.21722	0.8
568.67706	0.4
591.73419	0.4
625.15186	0.6
687.39612	100.0
688.39990	17.8
688.52240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99009	0.5
56.02039	0.4
59.01369	2.4
61.98806	0.5
69.56607	2.7
70.84576	0.4
71.01373	2.4
81.03448	0.6
83.01368	4.3
85.02943	1.0
89.02431	0.7
98.19890	0.6
99.00841	0.4
101.02448	0.5
105.03480	0.5
109.02939	0.7
113.02419	1.4
121.02940	0.8
125.02406	0.9
133.02902	0.5
135.04478	1.1
137.02385	1.4
138.03220	3.1
139.00331	1.6
139.03995	0.5
141.01942	10.0
149.02449	1.1
150.03217	0.8
151.03983	0.7
153.01930	7.4
161.02478	0.5
163.00333	0.6
163.03987	1.1
164.01114	0.9
165.01910	2.4
166.02701	2.8
167.03447	3.2
170.02194	1.2
175.03967	1.1
177.01900	1.7
178.02794	0.5
178.99774	1.0
179.03476	1.9
181.01411	9.5
182.02217	3.0
183.02942	4.2
187.03918	0.7
189.01907	0.9
189.05637	0.6
190.02625	0.6
191.03499	4.2
192.00644	1.5
193.01428	2.7
194.02182	5.2
195.02986	3.9
195.05595	0.5
201.01868	0.6
202.99840	0.6
203.03505	1.0
205.01352	1.4
205.05066	0.5
206.02156	3.6
207.02982	2.6
215.03423	1.1
217.01378	0.9
217.04938	0.8
218.02197	0.6
218.05730	1.0
219.02965	6.5
220.00011	1.8
220.03551	1.0
220.66261	0.5
221.00903	19.2
221.04239	0.7
222.01663	19.0
223.02444	16.7
224.02817	1.0
226.00999	0.6
231.02966	2.1
232.03789	0.6
233.00858	0.7
233.04582	1.3
234.01653	3.0
235.02422	8.1
245.00862	1.3
245.04524	1.0
246.05357	0.8
247.02547	1.0
247.99626	3.0
249.00284	1.2
249.03951	0.8
250.01115	1.8
251.01952	1.7
259.02487	2.8
259.06018	0.7
260.03113	0.7
261.00305	0.5
261.03998	1.7
262.01166	0.6
262.04547	0.5
263.01926	2.6
263.05496	0.5
273.04041	0.7
274.04770	1.8
275.01666	0.4
275.05557	1.4
276.02740	0.9
279.01462	10.3
285.03986	1.0
287.01883	0.6
291.05060	0.7
291.95773	0.6
300.02585	0.6
301.03458	1.8
302.04254	6.3
303.01401	2.2
303.05029	6.5
304.02087	1.1
304.05423	0.9
318.03677	0.7
319.04465	1.9
320.04935	0.5
327.07126	1.2
329.02948	1.9
330.03531	0.5
345.02420	2.6
345.08170	2.1
346.03152	4.9
347.03940	1.5
363.03629	2.8
385.07709	10.0
386.08353	0.7
397.07303	0.6
411.05618	3.1
442.07297	2.9
465.10458	3.3
466.06982	0.6
467.08243	0.8
481.09671	0.9
501.29364	0.6
507.13510	0.9
508.08664	0.8
509.09232	4.5
526.10144	2.1
527.10321	0.8
605.13342	2.0
645.16760	4.8
646.17188	0.8
647.14502	0.7
671.14728	2.6
689.15625	100.0
690.16028	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	687.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23823	1.0
58.00570	1.2
59.01108	1.6
59.01379	19.0
61.98833	15.0
62.36376	0.8
63.84301	1.0
71.01376	13.1
71.52733	1.4
75.00839	1.0
80.96513	1.2
81.89940	0.9
83.01397	5.0
85.02927	3.4
88.98798	1.1
89.02451	8.2
90.51280	0.9
101.02452	9.3
110.68127	1.1
111.00896	1.3
113.02432	3.2
119.03477	3.3
121.03020	1.0
125.02422	1.7
135.04538	1.3
140.01158	0.9
149.02487	1.2
150.03183	1.2
151.00385	2.1
151.61592	1.0
153.01866	3.3
165.01875	2.1
166.02716	1.2
167.03430	3.5
171.10219	3.3
176.06902	1.0
181.01358	5.8
182.02251	5.6
183.02942	5.5
205.08731	1.1
209.00867	2.7
209.11800	4.0
210.01628	1.9
219.03006	1.3
224.12917	2.6
225.11279	2.9
227.12866	1.3
255.10094	1.0
261.07547	4.3
273.07657	1.8
283.09790	2.4
284.10590	1.1
299.12918	2.7
300.02649	2.0
301.03363	2.4
311.09232	1.9
312.31781	1.0
326.11557	12.8
327.12332	9.9
345.08243	3.5
373.89505	1.1
447.09283	4.4
479.19302	1.2
497.20215	2.7
506.17810	3.0
507.18591	3.5
524.18915	3.6
525.19586	9.1
573.22107	1.2
687.24902	100.0
688.25397	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	686.339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60598	0.1
58.01701	0.1
59.01380	0.2
61.98828	100.0
62.98545	0.2
63.99272	0.1
64.87327	0.1
70.36828	0.3
108.75929	0.1
118.53420	0.1
189.87544	0.1
279.23364	0.2
281.25018	0.1
324.39963	0.1
449.26852	0.1
522.33362	0.1
614.23254	0.1
626.35272	0.3
662.88513	0.1
714.39996	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	686.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98828	100.0
62.98513	0.2
71.40306	0.2
83.39749	0.1
142.44400	0.1
149.10403	0.1
163.02155	0.1
181.01396	0.2
182.02255	0.3
183.02977	0.4
279.20319	0.1
281.24835	0.2
364.52002	0.1
380.06195	0.1
464.04968	0.2
626.35370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98816	1.7
65.18064	0.6
66.12460	0.5
69.15720	0.5
69.31012	0.5
71.01382	2.4
73.94957	0.4
83.01383	1.7
85.02915	0.8
86.11427	0.5
88.25781	0.5
89.02422	1.9
91.01875	0.5
96.95985	0.9
98.02327	0.5
98.19848	0.9
101.02441	1.3
109.02944	11.2
111.00880	0.6
113.02426	0.6
123.04480	0.7
125.02352	0.7
135.04529	2.5
137.02417	1.7
138.03160	0.8
145.02917	0.5
149.02399	0.8
150.03217	5.1
151.00322	0.9
153.01906	1.2
156.45158	0.6
161.02397	1.1
163.04016	2.0
165.01913	4.5
166.02693	1.1
167.03452	0.9
177.01993	0.9
178.02675	2.9
179.03453	1.9
181.01431	0.9
182.02214	5.7
183.02924	4.9
190.99800	1.1
191.03558	2.6
192.00618	0.7
193.01372	1.8
193.05334	0.6
194.02068	0.8
195.02901	0.7
203.03554	0.6
205.01338	1.2
206.02179	4.6
206.05281	0.5
207.02904	1.3
208.03745	1.3
209.04510	1.0
217.01477	0.6
218.99219	3.0
219.02966	0.6
223.02373	0.7
229.01361	0.7
233.00844	1.5
233.04521	1.3
234.01669	100.0
235.02417	42.8
235.04938	0.9
236.02794	2.5
246.74930	0.5
247.02568	0.6
259.02405	0.6
271.02246	0.6
276.02658	1.0
298.04974	0.5
300.02722	0.7
301.03506	0.8
327.07285	0.7
344.05261	2.0
345.05511	6.8
353.08517	0.9
365.18240	0.8
371.09961	0.6
397.07718	57.8
398.07980	6.2
403.15594	0.5
439.08530	0.8
507.11407	88.2
508.11703	10.6
525.12384	1.3
526.12750	0.5
577.13873	0.9
625.14124	1.3
687.17432	4.2
719.70825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01382	2.4
61.98822	4.2
70.06320	1.3
70.06731	0.8
71.01373	5.3
72.99300	0.7
75.00873	1.2
78.95933	0.4
80.16068	0.4
83.01373	1.0
85.02950	5.3
87.00882	1.0
89.02454	0.7
93.03448	0.7
95.01376	1.7
99.00903	1.3
103.00375	0.5
105.03478	0.5
106.94522	0.4
109.02964	1.2
111.00867	0.8
113.02442	4.7
115.00352	1.8
117.03473	0.4
121.02962	0.7
123.04526	0.5
125.02422	0.4
132.02162	1.0
133.02954	19.7
134.03374	0.6
134.89427	0.6
135.04514	8.1
145.02948	0.6
151.00369	0.6
153.01920	1.6
157.46918	0.4
159.33513	0.4
161.02437	100.0
162.02757	3.9
163.03940	0.8
165.01889	0.6
167.03490	0.6
175.02473	3.1
175.03903	0.9
179.03459	4.2
181.01379	2.7
182.02171	4.6
183.02968	4.4
185.06084	0.5
189.05545	0.5
191.03514	0.7
193.05055	0.6
203.03484	1.3
213.05496	0.5
219.02972	2.2
227.03528	0.6
227.07056	1.1
228.07347	0.5
229.05020	0.7
245.04631	0.7
255.02985	0.8
284.03287	1.0
285.04025	5.7
286.04379	0.6
299.17203	0.4
300.40662	0.4
327.07184	3.1
328.07477	1.2
337.05624	42.6
338.05939	3.5
338.49255	0.5
340.41617	0.5
341.06702	0.5
345.08304	3.6
346.08685	1.3
369.43219	0.5
375.65869	0.4
443.06073	0.7
461.07196	0.9
502.90707	0.5
539.21136	1.0
623.10376	21.1
624.10815	2.5
685.38928	0.6
686.18109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72155	0.2
53.65459	0.2
59.01372	0.4
60.94089	0.2
61.98826	1.2
65.00316	0.3
71.51800	0.3
77.63838	0.2
81.03463	2.3
83.01369	1.3
95.05030	0.6
107.01408	0.4
108.02113	0.2
112.21604	0.2
112.52217	0.2
114.99509	0.2
121.02940	0.2
123.04522	21.1
124.04848	0.7
125.02439	4.1
128.03534	0.3
134.03745	1.4
137.02434	0.3
149.02415	0.7
149.06071	0.4
151.00357	1.2
163.03990	0.4
167.03487	100.0
168.03819	4.1
170.46198	0.2
178.02711	0.8
179.03502	0.2
191.03481	0.6
193.05054	2.6
209.04483	0.9
213.12474	0.3
217.05014	0.5
233.04539	0.2
242.53609	0.2
329.08755	17.6
330.09146	1.5
332.77493	0.2
352.63150	0.2
355.10068	0.7
503.44308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
61.98826	12.6
69.31690	7.7
71.01403	1.6
83.01405	2.2
85.02966	1.6
87.00819	1.3
88.98822	2.5
89.02480	1.5
96.96033	1.2
98.20736	1.9
107.01372	1.1
108.02173	4.9
109.02999	2.0
119.05016	1.9
121.02946	1.7
123.00916	1.8
123.04538	2.5
124.01636	1.1
125.02416	4.9
128.03566	2.8
137.02448	1.9
137.09692	1.1
141.02048	1.4
143.04691	1.5
145.02977	2.4
149.06030	1.3
150.06857	33.2
151.00421	2.7
152.01140	11.8
153.01939	2.8
161.02458	3.4
163.07664	6.3
164.08405	5.1
165.01967	4.0
166.99812	1.1
167.03503	22.0
169.01427	4.5
171.10309	2.2
175.00453	1.2
175.02512	1.0
179.10760	16.9
181.01466	3.6
182.02200	17.8
183.02971	18.7
185.11830	1.1
188.24425	1.1
191.03494	2.6
192.03915	1.4
207.03024	3.6
209.11913	1.3
213.12486	1.5
219.03038	1.3
234.01662	1.7
235.02472	1.8
237.11337	1.9
264.10031	6.2
265.10699	3.2
306.07669	1.2
327.07272	2.4
341.23578	1.6
343.21375	4.2
345.08246	29.0
346.08624	3.1
371.24179	1.3
373.26135	4.4
404.73315	1.2
427.16089	10.0
462.29745	1.3
477.31888	5.7
504.31238	2.0
505.31500	2.4
509.13321	2.4
522.31891	2.8
523.32794	23.0
524.33655	2.2
532.34778	1.2
539.14014	2.6
539.21631	2.3
637.62109	1.1
685.38330	100.0
686.38739	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	685.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96179	0.5
56.54938	0.5
57.03437	0.8
59.01371	1.3
61.98829	18.8
63.49738	0.5
71.01392	1.3
71.40367	0.7
73.47484	0.5
74.02505	0.5
75.92781	0.5
80.37175	0.6
83.01382	1.3
85.02951	1.3
87.00880	1.2
88.98810	1.4
89.02430	0.8
97.06568	0.8
99.00869	0.6
99.04518	0.7
101.02440	0.7
110.00029	0.5
110.42048	0.5
111.00883	0.9
121.02982	0.6
123.08160	0.7
127.11285	0.9
128.03525	1.8
137.02419	1.6
137.09697	0.6
139.00403	0.8
141.01904	1.0
143.04596	1.0
145.02905	1.0
149.06114	1.2
150.06862	29.1
151.00362	0.5
151.07242	1.2
153.01924	2.1
155.10747	0.9
161.02455	0.9
161.09744	0.7
163.07634	5.3
164.08417	7.1
165.01917	1.7
165.09203	0.5
167.03464	2.3
171.10301	0.8
176.08452	0.6
177.01903	0.8
178.10002	0.8
179.10762	17.5
179.85211	0.6
180.11134	1.0
181.01408	2.6
182.02191	19.3
183.02975	19.1
184.03349	1.0
184.11006	0.5
193.19055	0.6
195.02913	1.0
207.05022	0.6
225.02802	0.6
227.07143	1.2
233.04443	0.5
234.01839	0.6
237.96812	0.5
259.06186	0.6
262.08466	0.7
271.06094	1.0
272.08801	0.8
296.87900	0.6
306.07550	2.8
306.18463	1.1
321.20590	1.7
327.07166	1.4
341.23175	1.1
343.21252	4.2
345.08255	26.7
346.08417	2.8
425.14548	0.8
459.31024	0.8
462.29938	1.9
477.32147	7.3
478.32529	1.3
504.30890	0.9
505.31473	2.7
506.31058	0.6
522.31915	2.1
523.32751	24.6
523.40717	1.4
524.32947	2.8
539.66199	0.6
623.24438	0.9
685.18060	5.1
685.38031	100.0
686.19012	1.2
686.38489	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	685.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36151	0.6
59.01372	2.0
59.54470	0.5
61.98826	9.4
71.01381	1.1
83.01385	1.4
85.02929	0.8
93.03463	3.0
101.02414	0.6
109.02942	1.1
111.00854	0.7
115.00369	0.6
119.05024	1.2
123.04521	1.1
125.02506	0.8
133.02959	4.1
134.46814	0.5
135.04515	3.6
137.02429	1.4
138.03267	0.5
141.01881	0.9
149.02428	0.5
153.01950	2.0
161.02434	9.4
163.52315	0.5
165.01921	5.2
167.03502	2.8
171.04535	1.4
175.96924	0.5
179.03497	2.7
181.01418	2.2
182.02219	4.9
183.02979	5.1
185.11589	0.5
194.02211	1.2
194.12550	0.5
195.02995	2.6
207.03015	1.0
209.00868	1.0
209.11836	1.5
217.04968	0.7
221.00891	1.7
221.11865	1.4
222.01587	1.9
223.02498	0.9
234.01671	2.3
235.02493	2.6
237.03761	0.5
241.05070	1.3
243.02971	1.1
243.06607	1.0
254.04338	0.8
255.02840	0.6
255.06795	0.9
257.04434	0.8
259.06091	33.4
260.06500	2.8
266.04303	8.1
267.04990	1.9
273.07657	1.0
285.03876	1.1
287.05606	22.4
288.05936	1.7
301.07318	0.9
311.05597	0.6
328.05887	1.1
329.06619	3.1
331.08301	0.7
345.08228	2.4
359.07562	0.6
360.08487	33.7
361.09167	14.8
397.07797	0.8
429.10199	4.9
430.10898	0.8
491.11801	1.3
523.14532	100.0
524.14886	11.0
539.13892	2.6
553.22864	0.8
641.15033	0.8
685.34637	7.9
686.34027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19866	0.6
53.82201	0.6
57.03444	0.6
59.01363	1.3
61.98809	2.4
65.00321	0.9
68.64404	0.6
68.99809	0.6
69.03453	0.8
70.66630	1.7
71.01376	3.0
72.99320	1.0
77.03976	0.7
81.03474	0.9
83.01389	5.8
85.02920	2.5
92.19544	0.7
93.03462	3.8
95.01368	0.9
97.02934	0.8
99.00865	2.3
101.02440	0.9
108.02158	1.1
109.02954	15.8
111.00881	4.7
113.02429	1.5
119.05020	2.4
121.02958	3.2
123.00880	1.5
123.04497	0.7
125.02422	2.4
129.01897	1.8
133.02943	2.1
134.03702	2.8
135.00894	0.9
135.04520	11.2
135.63463	0.6
136.04922	0.7
136.98784	2.6
137.02444	9.5
139.00404	3.0
139.03966	1.9
140.01128	1.0
141.01953	4.6
145.02916	2.0
149.02467	1.3
151.00414	1.3
153.01933	38.2
159.04445	1.3
161.02499	4.1
163.03973	2.4
165.01923	7.3
165.99023	1.1
166.02631	1.5
166.99864	1.0
167.03452	1.8
169.01372	0.9
171.04573	3.0
172.09035	0.7
177.01935	1.4
177.05614	2.1
179.03491	4.3
181.01422	51.6
182.02199	62.2
183.02974	77.6
184.03340	3.0
187.03999	1.2
193.03467	4.1
193.05045	19.1
195.02881	2.1
207.02986	4.6
207.04768	1.1
210.06876	1.1
226.06339	2.0
227.07112	20.4
228.07516	1.1
238.06367	1.4
239.07109	5.0
249.03947	1.2
253.08649	1.9
281.08197	5.2
285.06326	1.7
291.99094	0.6
309.06046	1.2
313.10837	4.2
327.07187	100.0
328.07544	6.2
345.08240	70.9
346.08554	4.6
371.24155	0.8
457.09885	9.0
491.11975	12.9
492.12173	1.1
539.21198	0.9
601.16443	0.9
623.14380	1.4
685.17767	20.8
685.30499	2.7
686.18408	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.7
59.01374	3.6
61.36216	0.4
61.98824	1.0
63.03269	0.4
69.03461	0.8
70.01382	1.5
70.71436	0.4
71.01379	4.1
73.02953	1.2
78.95920	0.6
79.54992	0.5
83.01380	1.0
83.05039	0.9
85.02953	1.8
87.00880	2.1
89.02451	1.5
95.05018	1.4
95.31911	0.5
97.02991	0.4
97.06586	14.2
98.06911	0.8
98.19962	0.5
101.02449	3.6
113.02449	1.9
122.34834	0.5
123.08157	7.6
125.09718	78.5
126.10042	2.3
135.95557	0.5
143.10777	0.8
145.05072	1.2
152.99567	0.5
161.04541	1.7
167.04404	0.5
169.08749	2.0
169.99010	0.5
173.82346	0.4
182.02177	0.4
187.09749	31.2
188.10149	1.2
235.08221	2.4
253.09274	2.3
255.23337	1.6
277.21698	44.9
278.22021	3.6
352.50485	0.5
366.02301	0.5
382.14905	0.4
405.17761	4.1
405.22879	0.7
423.18750	3.3
502.95267	0.5
521.34540	0.7
683.40045	100.0
684.40405	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	684.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88715	0.7
55.85936	0.8
61.23281	0.8
61.98838	2.3
66.15160	0.6
69.48174	2.5
69.48582	2.4
83.01369	1.7
86.26446	0.7
87.69120	0.9
90.49744	0.8
93.23461	0.7
93.29628	0.7
98.19967	1.1
99.00850	1.1
104.53543	0.9
109.02982	0.8
110.00095	1.2
111.00854	0.9
117.89297	0.7
121.02937	1.9
122.24139	0.7
137.02451	6.7
139.00366	2.6
140.01131	1.2
141.01926	3.6
151.04053	0.8
153.01974	5.3
165.01918	7.1
165.99091	3.1
166.02637	1.3
166.99869	1.8
171.05389	0.7
175.89317	0.7
179.11537	0.8
181.01410	8.5
182.02199	87.7
183.02963	77.2
183.20610	0.9
184.03337	2.9
186.09520	0.9
195.03050	1.5
225.03798	1.2
242.34479	0.9
327.07343	1.6
328.06903	0.8
621.29114	100.0
622.29401	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	684.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04710	1.0
59.01381	1.1
61.98824	4.9
65.68919	0.8
69.21677	3.5
69.22098	5.2
75.29185	0.9
77.03980	1.2
83.01398	2.7
88.77368	1.1
99.00897	1.2
110.00104	1.5
111.00882	2.5
121.02965	1.8
137.02448	6.8
139.00371	3.1
141.01932	4.3
153.01950	4.8
165.01926	9.2
165.99088	1.9
166.99889	2.0
181.01476	7.0
182.02209	95.8
183.02975	76.5
184.03284	3.6
194.02162	1.3
196.86882	0.9
207.02919	1.6
219.02946	1.1
487.04144	1.1
621.29144	100.0
622.29303	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	683.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03431	1.4
59.01379	36.6
59.84705	0.5
64.06953	0.5
69.03441	1.3
70.74799	1.2
70.75151	0.5
71.01379	10.1
71.05023	0.6
72.99308	0.9
73.02945	2.6
73.40266	0.5
78.95918	0.5
81.03435	0.7
83.01388	1.0
83.05028	1.4
84.56165	0.4
85.02962	2.6
87.00861	4.0
87.04493	0.5
88.98822	0.4
89.02446	5.1
95.01389	1.5
95.05013	1.0
97.02919	1.4
97.06576	0.8
101.02442	6.5
107.56824	0.6
109.06605	1.6
111.04464	0.7
111.08183	1.2
113.02438	4.9
119.03465	1.1
125.02449	1.4
135.08186	1.4
137.09702	1.5
143.03510	1.0
145.05077	2.8
161.04521	2.2
167.14363	0.5
171.10268	4.1
177.12761	0.5
179.05624	1.4
182.02332	0.6
183.02957	0.5
187.15041	0.5
203.14384	1.0
207.17378	0.6
211.13303	0.6
213.14929	1.0
231.17476	0.9
235.08220	6.0
237.14883	1.2
239.16344	1.2
241.18037	1.0
247.13495	0.5
247.16852	0.7
248.78043	0.5
249.14980	0.6
253.09154	0.7
255.23196	1.0
265.18161	1.1
275.16486	1.1
277.18204	1.0
277.21661	2.3
293.21179	2.1
313.25391	0.7
315.26904	2.8
317.28320	0.6
325.25485	4.5
333.27994	0.9
341.24832	3.0
342.25171	0.7
343.26437	4.4
351.23218	1.9
359.25934	6.0
361.27469	1.4
369.24261	8.3
370.24911	1.1
387.25394	26.8
388.25583	2.5
405.26416	21.4
406.26682	1.9
479.29996	1.3
595.34912	2.1
605.33582	1.4
621.29199	0.8
623.34308	100.0
624.34570	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	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03445	3.7
59.01372	5.9
61.98839	0.8
63.14816	0.5
63.33708	0.6
71.01379	2.6
71.52023	1.0
83.04985	0.7
85.35766	0.5
89.02433	3.6
92.51324	0.6
95.05032	1.4
97.06591	10.7
101.02438	3.3
102.31438	0.6
113.02454	2.1
123.08150	6.7
125.09715	86.5
126.10060	3.8
143.10745	1.4
152.99586	0.8
169.08691	2.0
187.09740	60.2
188.10147	2.9
189.69884	0.6
204.46104	0.6
211.09659	0.7
235.98007	0.7
253.09276	1.9
261.13483	0.7
277.21704	13.2
278.21979	1.3
294.40939	0.6
394.35492	0.6
405.17578	4.4
423.18604	11.7
424.19357	0.7
683.40033	100.0
684.40436	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	683.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11383	0.4
60.99304	18.5
69.22041	1.6
69.22454	2.4
70.41740	0.4
71.51655	0.4
75.78056	0.5
83.01423	0.4
83.95998	0.5
84.62234	0.4
85.49274	0.5
87.00894	0.5
88.98802	100.0
89.99154	0.8
93.03429	0.5
94.67270	0.5
98.19935	1.1
151.00354	1.1
175.02444	1.0
182.02328	0.5
188.35603	0.5
207.37463	0.5
227.03502	7.3
229.05042	1.0
234.01662	1.1
255.02960	16.3
256.03482	2.1
257.04596	1.0
284.03256	27.9
285.03967	12.3
286.04330	1.0
323.51846	0.5
345.08157	0.6
507.11197	1.1
593.15082	57.2
594.15375	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	683.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
71.01379	3.0
71.51672	0.5
72.45411	0.4
75.00838	0.5
75.45959	0.4
85.02927	0.7
89.02452	2.2
93.03452	0.9
95.01383	0.4
95.06942	0.4
99.00829	0.5
101.02413	1.4
107.45242	0.3
108.02151	0.9
109.02952	4.9
111.00859	0.6
111.04481	0.5
113.02421	1.5
115.00351	1.7
116.33350	0.4
119.03488	0.8
121.02974	4.0
123.04466	0.7
125.02451	0.6
131.04948	0.4
132.02158	1.6
133.02957	24.7
134.03262	0.5
135.04526	21.1
136.04800	1.1
137.02455	0.4
146.03738	0.5
147.04510	0.7
148.05330	0.7
149.06099	1.9
151.03957	1.3
157.01462	0.5
159.04472	0.9
161.02437	100.0
161.05957	1.9
162.02763	3.9
163.04044	0.6
170.68770	0.4
174.03224	0.6
175.04018	2.7
177.01955	1.4
177.05496	1.8
179.03496	32.6
180.03888	1.2
187.03967	2.1
188.04861	1.2
189.05609	0.9
197.06001	0.5
203.03505	7.6
213.05571	1.3
215.07260	0.4
217.25110	0.4
221.04575	1.5
225.05565	0.9
226.06364	1.7
229.05103	1.6
231.03026	0.9
241.05054	2.6
242.05779	5.1
243.06606	30.8
244.06941	2.1
245.04654	0.4
254.06140	0.4
255.06715	0.4
267.29816	0.4
269.08203	0.9
271.09750	6.1
277.05783	0.4
279.06711	0.5
281.06763	1.4
282.05536	0.4
289.07315	0.9
293.12503	0.6
297.07639	6.5
315.08673	2.3
341.08929	56.1
342.09357	4.2
345.08307	0.8
357.09943	0.7
359.07678	13.5
360.08243	1.4
407.28650	0.5
450.86163	0.5
499.67587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40951	0.8
61.98830	1.3
70.80952	1.8
70.81307	1.1
77.03944	1.2
77.51644	1.0
83.01389	2.1
97.02953	1.5
99.00879	1.6
109.02948	1.0
110.00141	1.5
110.60974	0.9
111.00872	3.4
113.02370	0.8
121.02946	2.4
135.67242	0.8
137.02451	7.5
139.00345	2.6
139.04060	1.3
140.01132	1.2
141.01924	3.3
153.01965	4.1
165.01895	7.3
165.99031	2.9
166.02328	0.9
166.99818	1.0
181.01416	8.0
182.02205	99.5
183.02968	76.2
184.03270	2.8
195.02980	2.4
196.81100	0.8
274.80478	1.2
327.07214	1.6
368.75339	1.0
394.78754	0.9
424.71820	1.0
619.27533	100.0
620.27911	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	683.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.8
60.99300	6.9
62.40805	1.7
71.78637	1.8
81.03454	2.0
83.01385	6.4
83.95300	2.0
88.98805	25.8
92.21449	1.7
93.03470	2.6
95.05045	2.6
97.02950	6.0
103.39259	1.9
104.95959	1.8
105.03456	2.7
109.02948	18.4
114.55471	2.2
121.02938	7.8
123.00878	2.3
123.04532	10.8
125.02445	99.8
133.02972	3.2
135.04521	8.8
137.02444	22.3
139.04047	4.1
149.02464	9.7
151.04008	13.0
153.01875	2.3
159.04539	3.9
161.02464	14.6
161.06071	5.3
164.01118	4.3
165.01926	4.2
167.03491	3.2
175.03970	10.4
177.01926	100.0
178.02196	4.0
179.03448	12.5
187.03973	8.3
188.04712	3.0
201.05510	1.9
203.03535	4.2
203.07135	8.5
205.05045	6.4
213.05402	2.2
217.05069	2.1
229.05154	2.4
242.05878	2.0
243.03029	5.2
243.06606	8.5
245.08180	13.3
255.02942	8.1
256.03656	5.6
257.63138	2.0
273.03964	6.1
281.04587	4.5
285.03973	4.8
289.03949	3.2
289.07172	57.0
290.07458	4.2
297.07529	4.3
303.05008	13.7
305.06610	4.3
315.04843	2.6
315.53815	2.2
337.27567	2.0
339.08676	5.7
341.08630	6.0
407.07724	75.9
408.07950	6.2
425.08719	87.6
426.09137	8.9
441.08212	6.6
467.09708	16.7
521.13513	2.6
593.12976	41.7
594.13123	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	681.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70431	0.4
59.01381	2.2
63.54189	0.4
70.68494	1.1
71.01379	1.1
72.92155	0.3
85.02910	0.5
89.02458	1.3
89.06137	0.3
101.02390	0.8
113.02448	0.8
114.98171	0.4
117.03463	17.4
118.03844	0.5
119.05022	5.4
121.02960	0.6
131.04941	0.3
133.06627	0.4
134.03738	15.2
137.02417	2.5
139.03999	0.8
145.02950	100.0
145.14281	0.4
146.03302	4.2
149.06094	5.2
159.04485	1.0
161.06081	2.0
163.04004	10.0
163.07156	0.4
164.04366	0.4
165.11584	0.4
178.02708	9.8
179.03084	0.5
187.03992	5.4
193.05042	37.7
194.05482	1.1
205.04987	1.9
227.74986	0.4
235.06082	0.5
250.22327	0.3
265.07227	1.5
325.09265	40.0
326.09543	3.2
355.10309	6.9
356.10324	0.5
376.30362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.5
61.98804	53.4
70.77731	72.7
79.67876	31.6
88.76120	33.8
152.01073	66.4
182.02202	49.5
183.02927	100.0
185.11768	45.0
192.51596	36.3
277.21765	54.7
284.56900	38.7
345.08255	64.4
626.75574	38.5
681.32623	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.2
61.98819	3.8
71.01378	15.0
71.53339	0.9
72.99290	1.8
73.02917	0.9
75.98328	0.6
83.01381	1.3
85.02925	0.9
87.00871	32.2
88.98800	1.4
99.00848	0.8
106.06567	0.9
112.98782	1.2
113.02483	1.1
115.00365	48.1
116.00700	1.1
125.02423	0.8
127.00351	0.9
134.06128	2.7
136.07668	7.7
145.02951	1.0
161.02396	1.3
175.02461	100.0
176.02765	3.1
182.02164	1.4
183.02876	0.9
256.08212	0.7
266.06927	1.2
279.07391	0.7
281.09354	3.5
293.09390	2.1
345.08554	0.7
402.18250	1.3
430.17563	4.7
441.20184	0.8
474.16696	10.2
475.16962	1.9
497.24789	0.7
506.19266	16.1
507.19516	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	680.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69146	0.3
61.98830	100.0
67.69170	0.3
70.17706	1.1
73.60537	0.3
73.89671	0.3
75.43885	0.3
78.95914	0.4
84.11358	0.3
98.19954	0.3
171.10309	0.6
175.02489	0.4
182.02272	1.0
183.03015	0.8
199.22354	0.3
211.13425	0.6
223.52649	0.3
282.70932	0.3
330.73663	0.3
345.08392	1.2
470.80136	0.3
702.35516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
68.53390	0.5
70.00667	2.0
71.01379	1.1
72.99288	0.8
75.00471	0.8
75.00872	10.4
83.01374	3.5
89.02429	1.9
93.03458	1.1
98.57987	0.4
105.03454	0.8
109.02940	0.7
117.01926	0.7
119.04936	0.7
121.02983	0.7
125.02458	0.5
135.02998	20.1
137.02423	0.6
139.04022	0.6
141.01939	1.0
149.02454	1.8
150.96448	0.5
151.00404	0.5
151.04041	0.8
153.01950	0.6
158.07086	0.5
161.02347	0.7
164.40628	0.6
165.01926	13.1
166.02309	0.8
167.03494	3.7
168.03731	0.5
177.01901	0.6
178.99786	0.5
181.01482	1.1
183.02957	1.6
191.76218	0.5
193.01411	10.4
193.05170	0.7
195.02980	2.6
209.00911	5.3
210.01721	0.8
210.04463	0.5
211.02484	3.6
221.00896	100.0
222.01190	4.1
223.02458	1.9
229.01389	1.8
234.65373	0.4
235.02699	0.6
237.00371	2.8
238.00928	0.4
239.01915	4.1
251.01805	0.7
265.03458	1.0
267.01465	2.8
277.04410	0.4
313.06094	0.6
323.13602	0.7
339.04044	1.5
357.04614	16.9
358.04941	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	679.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42832	0.4
55.01869	1.1
57.03442	0.9
58.00579	1.2
59.01377	31.4
61.98814	1.6
69.03437	2.1
69.45034	0.5
71.01378	29.8
72.99300	2.8
73.02945	4.3
75.00877	1.1
81.03435	1.3
83.01370	3.8
85.02950	7.7
87.00877	7.9
89.02442	25.6
90.02770	0.6
95.01366	1.7
97.02937	5.3
99.00847	1.4
101.02436	24.2
102.02760	0.8
111.00907	0.6
111.04466	0.6
112.88410	0.5
113.02444	11.3
114.02752	0.5
115.03969	0.6
119.03487	9.3
121.02901	0.5
125.01537	0.7
125.02446	10.0
126.02793	0.6
131.03477	1.7
133.05104	1.0
139.04024	1.0
143.03494	5.4
161.04550	5.5
167.03421	0.8
171.91591	0.5
179.05617	5.3
181.04997	0.5
182.02228	0.9
183.03082	0.7
199.06175	0.5
203.05565	0.8
217.07294	0.6
221.06651	2.1
235.08215	13.5
253.09256	2.9
263.07645	1.4
277.09323	1.1
281.24832	100.0
282.25223	8.6
287.07675	3.4
305.08731	3.1
323.09824	1.7
379.12338	1.3
397.13458	87.2
398.13669	5.5
415.14545	36.5
416.14877	2.4
639.51575	0.7
679.28900	0.6
679.39703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93374	3.4
61.98826	29.3
66.56229	3.0
69.55550	24.0
70.16158	3.6
71.01401	7.1
75.00857	7.7
78.95921	5.2
99.77857	3.5
135.97806	3.5
136.89099	4.6
171.10275	4.0
211.13387	100.0
212.13681	4.3
345.07813	4.0
347.13165	4.5
429.21121	5.2
447.22311	15.4
573.22998	3.4
623.34448	30.8
624.34290	4.4
641.35364	23.7
642.35675	4.7
677.33197	46.8
678.33557	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62161	0.2
55.01866	0.9
57.03447	1.3
58.00589	1.8
59.01377	36.7
60.01704	0.3
61.41647	0.2
61.98832	0.3
67.01881	0.2
68.99807	0.4
69.03445	2.1
70.66114	0.6
71.01379	32.7
71.05066	0.2
71.27803	0.2
72.01716	0.4
72.99307	2.6
73.02549	0.5
73.02943	6.0
75.00866	1.1
78.95946	0.2
81.03454	1.6
83.01382	3.9
83.05045	0.3
85.02950	6.9
87.00343	0.3
87.00874	8.3
89.02440	29.8
90.02787	0.5
91.03989	0.6
95.01385	2.3
95.05056	0.2
97.02948	6.1
99.00879	2.1
99.04522	0.5
101.02437	29.3
102.02762	0.4
103.00382	0.3
109.02962	0.6
111.00877	0.7
111.04514	1.4
113.02448	13.2
115.03983	0.7
119.03495	8.2
120.03864	0.3
121.02943	0.9
123.00886	0.4
123.04533	0.4
124.01688	0.4
125.02444	13.4
126.02777	0.6
127.03983	0.5
129.01917	0.3
131.03505	1.7
133.05060	0.9
135.04510	0.2
137.02441	0.4
139.03964	1.1
141.01941	0.5
143.03499	5.7
149.02449	0.3
149.04562	0.8
161.04536	6.8
166.19299	0.2
167.03479	0.5
169.05034	0.3
171.02974	0.3
179.05600	6.1
185.04506	0.6
199.06049	0.6
203.05621	0.6
217.07159	1.0
219.05048	0.4
221.06606	2.3
235.08220	13.4
236.08551	0.3
245.06604	0.6
253.09273	3.1
261.22229	0.4
263.07748	1.6
277.09229	1.0
279.23270	100.0
280.23608	8.2
287.07681	3.5
305.08801	3.7
323.09799	1.9
361.11252	0.4
379.12418	0.8
397.13467	86.8
398.13831	6.2
415.14548	34.3
415.18811	0.6
416.14902	2.7
677.37946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12117	0.4
69.16721	0.4
70.41232	0.4
71.75408	0.4
78.95903	27.3
87.62912	0.4
96.96945	1.9
98.20666	0.9
118.00132	0.4
124.33528	0.4
134.98502	0.5
142.21973	0.4
152.99586	37.1
153.41730	0.4
165.12769	0.7
167.10875	0.5
167.14406	0.6
171.00612	3.8
183.13887	9.7
184.21254	0.4
193.12346	2.2
203.27547	0.4
211.13387	100.0
212.13771	4.3
227.03271	3.9
245.04349	1.4
253.21706	23.5
254.22047	1.3
255.23376	0.5
307.61017	0.4
341.02515	0.4
347.12637	3.7
421.16443	3.0
439.17343	88.3
440.17715	6.8
451.82776	0.4
463.24353	0.4
675.38696	35.6
676.39160	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	677.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	9.6
60.16545	5.9
61.98822	62.7
69.91466	16.3
69.91862	14.0
71.01377	15.0
78.72576	6.2
78.95901	57.2
87.00871	7.5
87.95036	6.1
115.00353	19.0
121.50359	6.2
136.89058	7.7
152.99553	60.2
156.00648	24.6
157.01393	16.2
161.08063	7.0
171.10191	9.8
174.01662	36.9
175.02499	64.0
183.02806	7.8
194.80432	6.9
199.22682	6.8
209.11877	7.5
211.13365	100.0
212.13771	7.7
253.37869	6.6
269.11987	6.5
394.90555	7.2
440.01273	7.4
447.22174	12.2
501.26251	27.1
623.34412	35.3
641.35303	19.6
651.77460	7.9
677.32770	39.7
678.33368	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.66650	0.1
56.99816	0.2
57.03440	1.1
58.00592	2.1
59.01377	43.4
60.01702	0.4
61.98830	1.0
61.99103	0.2
62.33887	0.1
67.01889	0.2
68.99822	0.5
69.03451	2.4
70.36933	0.3
71.01378	41.5
72.01712	0.6
72.99300	3.4
73.02940	6.9
75.00868	1.0
78.95900	0.6
79.01929	0.1
81.03448	1.9
83.01383	4.7
83.05013	0.8
84.02149	0.2
85.02945	8.8
86.00092	0.3
87.00872	9.7
87.04522	0.3
88.01244	0.2
89.02440	34.0
90.02794	0.6
91.04014	1.0
93.03461	0.6
95.01381	3.1
95.05029	0.2
97.02944	7.5
99.00872	2.3
99.04507	0.8
101.02438	34.0
102.02767	0.4
103.00396	0.5
103.04009	0.5
109.02957	0.8
111.00887	0.7
111.04488	1.0
112.01684	0.3
113.02444	17.2
114.02800	0.4
115.03997	0.8
119.03493	10.3
120.03834	0.3
121.02958	0.9
123.00905	0.3
123.04530	0.4
124.01666	0.5
125.02440	14.9
126.02784	0.4
127.04031	0.6
127.07639	0.2
129.01981	0.3
131.03503	1.8
133.05072	1.2
137.02408	0.2
139.04005	1.0
141.01939	0.6
141.05597	0.2
143.03491	7.2
149.02452	0.3
149.04570	1.3
151.03934	0.3
152.99593	0.5
153.01729	0.2
153.05617	0.2
157.05083	0.2
159.02992	0.3
161.04550	7.8
167.03555	0.9
169.05104	0.6
171.03069	0.4
179.05609	7.5
180.05988	0.2
181.05136	0.3
185.04550	0.7
195.37680	0.2
199.06143	0.7
203.05640	0.4
217.07123	1.2
219.05104	0.5
221.06665	2.4
233.06796	0.2
233.22775	0.4
235.08209	15.4
236.08571	0.7
245.06563	0.9
253.09277	4.0
259.20575	0.4
263.07666	1.7
275.20145	0.4
277.09518	1.4
277.21692	100.0
278.22028	8.8
287.07718	4.0
291.23334	0.3
305.08737	4.1
306.09015	0.3
323.09781	2.1
361.11368	0.7
379.12524	1.2
381.13025	0.2
397.13461	96.5
398.13791	6.7
415.14536	39.1
416.14835	2.4
517.05573	0.2
575.88202	0.2
675.35803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53239	0.7
53.63536	0.7
55.59209	0.8
59.01377	3.9
61.11117	0.7
61.98810	2.8
69.23496	1.8
69.23909	3.9
71.01379	3.2
72.99300	0.8
73.02937	1.3
73.90558	0.7
83.01396	0.7
83.05019	2.9
84.02172	0.8
89.02450	2.1
101.02428	4.5
102.88554	0.7
113.02443	1.9
115.00356	0.8
116.92778	0.7
125.09704	1.3
127.11266	2.6
135.08076	0.7
155.10802	1.2
161.04555	1.2
163.11253	2.7
165.12798	1.4
167.14203	0.8
169.12453	1.7
171.10251	5.7
175.02434	1.5
182.02127	1.2
183.13847	6.2
185.11824	3.4
191.10710	0.8
193.12370	1.5
197.11783	6.2
199.13435	2.3
201.11319	28.6
202.11641	1.6
207.10190	0.8
209.11812	67.3
210.12144	4.5
211.13379	100.0
212.13693	6.3
225.11378	2.2
227.12901	15.6
228.13290	1.7
229.14484	0.7
235.08264	5.3
253.09268	11.8
345.08167	1.0
377.23511	0.9
433.20789	0.8
437.20007	2.0
445.21042	2.1
447.22247	10.3
448.22827	1.4
463.21637	1.3
468.16040	0.9
504.54156	0.7
613.32343	1.3
631.33063	1.2
636.91327	0.9
639.33252	1.0
675.28876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03453	1.2
58.00591	2.5
59.01377	52.0
59.98528	0.2
60.01714	0.6
61.98841	0.4
67.01895	0.2
68.99818	0.6
69.03450	2.9
71.01379	42.8
72.01716	0.6
72.99301	3.0
73.02942	7.6
75.00880	1.0
79.01907	0.3
81.03455	2.0
83.01384	4.7
83.05022	0.5
84.84648	0.2
85.02946	9.1
86.00089	0.5
86.03300	0.2
87.00872	10.0
87.04523	0.4
88.01192	0.3
89.02441	37.2
90.02785	0.5
91.04002	0.7
93.03450	0.6
95.01377	2.8
95.05026	0.4
97.02944	7.5
99.00880	2.5
99.04523	0.6
101.02438	34.7
102.02782	0.6
103.00382	0.3
103.04013	0.6
107.05025	0.2
109.02937	0.8
111.00871	0.6
111.04537	1.2
112.01687	0.2
113.02447	15.9
114.02780	0.3
115.04014	0.8
119.03498	11.2
120.03827	0.3
121.02954	0.7
123.00888	0.4
123.04522	0.3
124.01620	0.4
125.02443	14.3
126.02821	0.5
127.03995	0.7
127.07644	0.3
128.68486	0.1
129.01994	0.2
131.03499	1.9
133.05078	1.2
135.04666	0.2
137.02434	0.4
139.04012	1.1
141.01958	0.6
143.03500	7.2
149.02490	0.2
149.04556	1.3
151.03928	0.2
157.05072	0.3
161.04543	8.2
163.04051	0.2
167.03497	0.9
169.05046	0.5
171.02979	0.4
179.05606	7.4
180.05896	0.2
181.05035	0.4
182.02150	0.2
185.04558	0.7
191.03490	0.2
199.06128	0.6
203.05609	0.5
217.07092	1.0
219.05037	0.3
221.06650	2.6
233.22733	0.4
235.08199	16.7
235.98268	0.2
236.08513	0.6
245.06596	0.8
253.09242	4.0
259.08258	0.3
259.20609	0.7
263.07651	1.5
275.20062	0.4
277.09595	0.9
277.21695	100.0
278.22031	9.1
287.07718	3.6
288.08203	0.3
291.23264	0.4
305.08771	4.5
306.08823	0.2
319.23090	0.2
323.09790	2.3
324.10339	0.2
348.86166	0.2
361.11383	0.8
379.12445	1.2
397.13470	94.3
398.13812	6.8
415.14542	38.2
416.14859	2.9
671.20697	0.2
675.35748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.7
61.98820	5.9
69.59288	1.7
71.01376	3.4
71.53238	3.0
78.95924	2.2
80.05058	1.6
82.11435	2.1
87.00867	2.0
89.02458	2.9
91.38765	1.7
96.95991	2.9
99.00833	1.8
101.02438	3.8
106.06628	6.0
113.02456	2.1
122.23622	1.4
124.07645	1.6
125.02467	1.7
132.04536	3.6
134.06134	3.0
136.07646	3.3
144.04662	1.6
148.04005	1.7
152.07144	3.1
158.06027	2.9
160.07698	3.7
161.02530	2.0
161.04630	2.8
162.05586	2.1
163.11171	2.0
166.26723	1.8
169.12273	5.7
169.35048	1.5
171.10249	4.5
178.05060	3.7
181.01489	2.0
182.02209	6.6
183.02878	6.8
183.13873	3.3
185.11853	9.8
190.05055	2.3
197.11763	5.3
199.13373	4.3
201.11296	12.6
207.10228	1.5
209.11833	53.9
210.12180	10.2
211.08730	2.7
211.13460	40.6
212.09465	2.2
212.13683	2.2
214.11118	2.2
215.11890	14.5
222.07863	2.3
223.12299	2.1
224.09358	3.0
225.10350	2.6
226.11111	3.6
227.12149	16.7
227.12515	16.5
228.13130	3.5
229.13329	13.8
235.08476	5.8
235.12248	2.2
236.09448	5.8
237.10316	18.1
239.11905	3.2
241.09825	3.4
242.10645	2.5
249.10452	7.6
250.07484	2.2
251.08250	6.6
251.11876	25.1
252.08975	1.7
253.09282	9.3
253.13405	2.8
254.10529	1.9
255.11311	7.1
256.12161	1.8
257.12918	37.5
258.13174	2.1
261.10181	2.0
262.07440	3.5
263.08206	10.2
264.09006	48.6
265.09589	4.4
266.79218	2.1
268.09531	2.4
269.09021	1.5
269.12878	3.2
277.09854	10.1
278.10410	2.9
279.11359	100.0
280.11545	8.7
281.09189	4.4
283.10721	2.0
295.10818	3.4
297.12381	14.0
298.12833	2.0
301.11920	2.9
305.09216	10.5
319.13013	4.5
321.08728	2.3
323.10333	25.7
324.10602	2.9
341.11386	35.1
342.11749	3.0
367.09283	4.6
371.12299	2.7
373.14044	6.9
399.11795	6.3
401.29825	1.9
415.11078	2.7
436.18719	6.5
447.22293	4.6
521.21832	3.1
538.20959	2.0
539.22650	2.4
557.23822	2.7
563.22858	10.7
565.21484	2.3
581.23871	15.3
583.21893	4.7
597.27405	2.7
607.22388	8.4
625.22943	32.9
625.32361	2.9
626.23187	5.7
639.33429	2.3
643.23987	47.8
644.24219	10.8
657.25653	6.8
657.35236	2.1
675.25836	38.2
676.26837	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	673.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83778	0.2
59.01375	2.8
60.96804	0.3
61.98820	2.6
69.03452	0.5
71.01378	10.1
71.30042	0.3
73.02943	0.7
74.98307	0.2
78.95923	0.4
80.02660	0.4
81.03452	0.4
83.01369	0.6
83.05023	1.1
85.02945	0.8
87.00875	0.5
89.02443	1.5
95.01390	0.3
95.05004	0.4
97.02945	0.7
99.00874	0.6
101.02434	2.0
109.06596	1.9
110.16589	0.3
111.00837	0.3
113.02443	1.4
119.03465	0.5
135.08150	0.3
137.02438	0.5
140.83415	0.3
145.05022	0.3
145.10054	0.4
153.01898	0.3
155.10796	0.3
161.04539	1.1
161.09695	0.3
163.11319	1.5
165.01843	0.5
165.12840	0.7
167.10767	0.4
167.14345	0.4
171.10257	2.0
181.01387	0.5
181.12338	1.0
182.02188	5.9
183.02953	4.8
183.13882	6.5
184.03322	0.4
184.14212	0.4
185.11844	0.4
193.12305	1.7
199.09904	0.3
199.13406	2.7
201.11267	0.9
207.10263	4.9
209.11812	9.2
211.13377	100.0
212.13713	5.4
225.11331	3.4
227.10735	0.5
227.12877	6.4
235.08246	2.1
249.14830	0.3
253.09239	5.2
265.14520	0.4
373.23700	0.4
383.22498	0.5
387.25925	0.3
401.23233	0.8
419.24503	0.9
429.21454	0.9
447.22354	7.4
448.22668	0.7
461.20087	1.4
463.21802	1.0
623.34082	1.5
624.34332	0.5
637.28455	7.2
638.28882	1.5
641.35669	0.5
655.33643	1.6
656.33960	0.6
673.34875	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	674.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36405	0.2
58.02972	10.8
59.01377	0.5
61.98818	0.9
69.79251	1.2
70.02975	4.7
70.24805	0.3
71.01406	0.3
72.00906	3.3
91.05528	2.8
93.81965	0.3
96.96010	2.4
99.76535	0.3
103.05573	0.4
106.04480	0.3
119.05047	0.4
119.34068	0.3
135.04521	0.7
138.68533	0.3
147.04514	19.9
148.04837	0.5
151.00349	0.3
161.02524	0.3
162.09221	0.6
164.07155	55.1
165.07500	2.3
183.03001	0.3
206.08205	100.0
207.08543	5.0
219.28271	0.3
250.07108	0.5
345.08575	0.4
429.73062	0.3
455.44873	0.3
535.59143	0.3
553.71747	0.3
641.25208	0.3
675.20477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.7
55.01866	0.7
57.03439	0.7
58.00599	1.1
59.01105	0.9
59.01379	10.3
59.42760	0.5
61.98837	3.3
66.90691	0.5
67.76306	0.5
69.03454	1.8
70.06905	2.2
71.01380	48.5
71.04991	0.7
72.01723	0.7
73.02938	2.9
78.95911	1.3
80.02654	0.8
81.03453	1.9
83.01383	1.3
83.05027	3.6
84.02163	0.9
85.02933	2.7
87.00884	2.2
89.02426	4.1
95.01382	1.3
95.05050	0.7
97.02965	3.4
97.06577	1.0
98.20712	0.8
99.00886	2.5
101.02438	6.8
109.06593	7.7
110.03717	0.7
111.04610	0.5
111.08197	0.8
113.02448	3.3
113.68645	0.5
119.03493	1.7
121.02929	0.6
121.06548	0.8
125.02415	0.9
125.06013	0.5
125.09738	2.6
127.11214	0.6
129.01958	0.6
134.89465	2.6
135.08095	0.9
136.05240	1.0
137.02455	0.6
137.09726	0.7
139.03952	0.6
142.02760	0.7
143.03574	0.7
145.05106	0.9
145.10265	0.7
152.99568	0.6
153.12811	0.8
155.10768	1.0
161.04547	1.7
161.09677	0.6
163.11288	8.5
164.11729	0.7
165.12811	2.1
167.10716	0.8
167.14375	1.0
169.12358	0.8
171.10274	5.7
179.05627	0.6
179.10841	0.7
181.12331	3.9
182.02211	9.0
183.02968	6.8
183.13887	10.7
184.14252	0.6
185.11847	2.0
189.09131	0.7
190.13194	0.6
191.10857	0.7
193.12312	1.9
197.11832	1.0
199.09741	0.5
199.13393	15.9
200.13611	0.7
201.11304	5.0
207.10243	25.5
208.10576	1.7
209.11816	38.0
210.12184	2.2
211.13379	100.0
212.13673	4.4
215.12875	1.0
225.11305	16.0
226.11580	1.1
227.12874	36.1
228.13205	2.8
229.14490	1.7
235.08237	4.7
235.13309	1.0
243.12267	2.0
247.13341	1.5
251.12816	0.7
253.09277	10.1
254.09402	0.7
265.14581	0.9
339.23474	1.0
357.24344	1.5
373.23703	1.7
383.22067	2.6
384.22696	0.5
391.24774	2.2
401.23276	6.0
402.23697	0.9
419.24481	3.4
443.19254	1.5
445.20596	0.9
447.22394	1.6
461.20218	4.4
463.21927	4.9
464.22458	0.8
503.79715	0.7
637.29376	8.0
638.29999	1.5
655.33270	10.5
656.33411	2.8
673.34283	10.3
674.34949	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	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
59.01374	1.6
61.98829	0.2
71.01374	1.8
71.06435	0.2
73.02936	0.3
77.25164	0.1
80.02676	1.0
81.03447	1.1
83.01368	0.5
83.05022	4.4
84.02145	0.7
84.05373	0.1
85.02940	0.3
87.00868	0.4
88.98756	0.1
89.02456	1.1
95.01378	0.2
95.04984	0.7
95.79369	0.1
97.02929	0.2
97.06577	0.2
99.00864	0.2
101.02432	1.7
109.06597	0.3
111.08151	0.2
113.02438	0.9
113.10030	0.1
119.03500	0.3
125.02437	0.2
125.06063	0.6
125.09691	0.2
131.03493	0.2
135.08179	0.7
137.06024	0.1
138.83475	0.1
143.03531	0.2
145.05014	0.2
145.84225	0.1
147.11865	0.3
161.04591	0.6
163.11276	3.5
164.11617	0.2
165.12840	2.4
171.10263	2.1
179.05594	0.3
181.12344	0.5
182.02132	0.2
183.02837	0.2
183.13890	0.2
185.11845	0.3
190.88676	0.1
191.10779	1.1
194.12395	0.1
199.13385	0.9
207.10243	0.5
209.11803	100.0
210.12134	6.7
210.82489	0.1
211.13370	1.6
212.13777	0.2
221.11940	0.1
225.11322	0.9
227.12862	15.2
228.13136	1.0
235.08235	1.7
239.12706	0.2
247.13376	1.0
249.14857	0.2
253.09248	6.2
254.09489	0.2
265.14532	0.3
345.09000	0.1
383.22208	0.2
401.23178	0.4
419.23975	0.3
445.20602	1.2
447.23013	0.2
461.20862	0.2
463.21741	0.5
467.89114	0.2
611.30792	0.3
637.32507	1.0
655.33282	0.7
656.32434	0.2
673.35004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.1
61.98822	3.5
68.41261	0.6
69.03443	1.0
71.01373	12.1
71.07283	1.5
72.99300	1.0
73.02937	2.7
75.83875	0.6
81.03436	1.3
83.01371	1.2
83.05006	3.1
85.02948	2.4
87.00867	2.3
89.02448	4.0
95.01376	0.8
95.05019	1.2
97.02938	1.3
97.06590	0.7
99.00859	1.3
101.02442	6.1
109.06589	8.3
113.02446	3.2
119.03486	0.9
125.06002	0.7
125.09695	2.4
127.11214	1.2
135.08141	1.4
137.09691	1.9
143.03448	0.9
145.05009	0.8
155.10748	1.9
158.93127	0.6
161.04543	2.1
161.09717	0.8
163.11279	6.1
165.12833	1.7
167.05287	0.6
167.14426	0.9
171.10252	13.2
179.05588	1.1
181.08696	1.9
181.12328	1.7
183.13876	22.6
184.14128	1.3
185.11813	1.4
189.09276	0.9
193.12367	1.7
197.11739	0.9
199.09749	20.9
199.13405	1.9
201.11259	2.9
207.10231	21.2
208.10602	1.6
209.11806	31.5
210.12186	2.1
211.13374	100.0
212.13744	7.0
215.12854	2.6
225.11302	19.8
226.11594	1.3
227.12852	8.8
235.08275	5.6
246.78386	0.6
247.13290	1.0
251.12813	0.8
253.09291	10.3
300.51712	0.7
344.83231	0.7
371.08926	0.6
373.23709	1.7
375.21713	3.0
383.22229	2.3
391.25003	1.6
401.23300	5.3
407.18976	0.8
417.17706	0.8
419.24414	1.8
435.19003	2.8
443.19128	2.6
444.18649	0.6
445.20700	1.4
447.22284	7.8
457.15048	0.7
461.20218	4.8
463.21759	1.3
593.29547	6.2
594.30243	0.9
609.32550	2.1
611.30621	7.9
612.31104	1.5
619.31500	3.6
629.31799	7.4
634.34564	0.7
637.32129	14.2
637.41852	1.0
638.32764	2.5
655.33319	15.9
656.33521	2.9
673.34558	15.3
674.34784	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	673.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89923	1.3
57.03437	1.7
59.01382	7.2
61.98827	7.4
71.01362	6.0
71.52316	1.6
80.05051	4.3
83.05016	5.1
84.92715	1.2
85.02959	1.2
87.00880	2.1
88.20039	1.3
89.02425	3.6
94.06609	3.1
94.70385	1.4
96.96004	3.3
99.00858	2.0
101.02431	2.8
104.05062	2.2
106.06596	5.1
107.03766	6.4
108.04501	2.7
109.06548	1.4
113.02463	1.7
120.04490	1.8
121.05357	2.4
122.06124	39.5
123.06441	1.2
124.07582	1.6
125.09776	1.6
132.04555	1.6
134.06117	10.6
139.02754	1.4
143.04478	1.3
146.06105	1.7
148.04036	1.9
152.07164	50.1
160.04034	1.6
160.06436	2.0
163.11255	5.0
165.01952	1.6
165.12816	3.0
167.79768	1.5
171.10251	7.2
174.05624	3.6
180.06602	1.4
181.12332	2.1
182.02170	4.4
183.02904	4.0
183.13806	2.0
185.11768	3.8
188.07135	3.8
199.13422	9.0
209.11821	100.0
210.12120	5.1
211.08804	2.1
211.13487	7.4
213.10324	12.1
225.11201	4.2
226.11160	2.1
227.12888	82.7
228.13153	4.1
229.14418	2.1
235.08208	5.7
237.10291	2.5
239.11783	9.6
241.13414	6.4
245.12923	6.3
250.07347	2.9
251.08336	2.4
251.12035	1.9
252.09029	2.9
253.09442	11.9
263.08295	3.2
265.09705	6.0
267.11292	3.2
277.09772	2.3
278.07040	3.1
278.10452	3.4
279.07669	5.3
279.11166	3.1
285.12405	23.0
293.09271	16.3
293.12927	5.6
294.09882	5.9
295.10825	13.3
307.10782	5.0
313.11627	2.9
323.10501	6.4
325.11719	2.9
337.08371	9.5
338.08798	1.8
339.09781	4.1
343.12885	1.5
345.08298	3.7
351.10083	1.7
355.13019	1.4
358.15585	7.2
384.13297	2.4
385.14056	1.9
400.16629	8.7
401.17386	1.9
401.23630	3.6
412.16495	3.3
419.24500	2.6
432.18988	2.8
443.18863	1.8
445.20667	4.2
458.17053	2.0
459.17725	5.5
460.18848	9.5
463.21692	5.2
474.20288	5.9
476.18530	3.1
486.16745	1.7
503.17181	2.3
504.17807	17.3
505.17807	1.6
518.19318	17.6
519.19189	1.8
523.23273	2.4
536.20349	2.1
550.21942	27.9
551.21661	4.1
565.24524	54.8
566.24725	11.6
597.26727	5.8
609.23474	26.3
610.23853	5.0
637.31915	7.5
641.26147	81.9
642.26428	17.7
655.33270	6.6
673.27814	16.9
674.28021	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	673.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85167	0.8
52.02453	0.8
59.01365	4.0
60.80475	0.8
61.98817	2.8
69.03416	1.1
69.04036	0.8
71.01382	15.0
71.12022	0.8
71.52057	0.9
73.02934	1.6
73.69289	0.9
78.95897	1.7
80.96496	1.2
81.03440	2.0
83.01366	1.6
83.05042	1.2
85.02949	2.0
87.00860	1.7
89.02424	2.4
95.05022	1.1
97.02978	2.4
99.00854	2.4
101.02435	4.3
106.52149	0.8
107.83266	0.9
109.02969	1.2
109.06574	2.5
110.00084	1.1
111.00875	3.4
111.04470	1.1
113.02437	2.4
121.02942	1.3
123.47308	0.9
137.02446	5.8
139.00438	1.6
140.01118	1.0
141.01910	3.4
152.99561	1.2
153.01915	5.8
163.11240	2.4
165.01930	7.0
165.12807	1.2
165.99040	2.0
166.02652	1.0
166.99916	0.9
167.03508	1.2
171.10269	2.9
181.01454	7.2
181.12363	1.0
182.02203	69.9
183.02971	64.5
183.13850	6.3
184.03316	2.3
185.11749	1.2
191.65482	0.9
193.12396	1.0
195.02979	2.0
199.09653	1.0
199.13359	3.2
201.11299	1.4
207.10254	9.3
209.11826	16.0
210.11925	0.8
211.13379	100.0
212.13667	3.8
217.63098	0.8
225.11261	5.9
227.12895	11.6
235.08200	2.5
253.09329	6.1
401.23083	1.7
443.19211	1.0
445.21017	1.0
447.22543	5.7
461.20374	1.9
463.21667	2.1
623.34058	1.6
637.28619	66.4
638.28790	9.7
655.32874	3.0
673.25421	12.3
673.36017	1.7
674.26825	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	673.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41209	0.6
57.02213	0.6
59.01388	4.5
59.23610	0.6
61.98831	3.7
64.85797	0.6
69.03458	1.7
69.98518	2.9
71.01377	8.8
71.58157	0.6
72.99337	0.7
73.02940	1.0
77.03963	1.4
78.95890	2.1
83.01395	2.8
83.05043	0.7
85.02963	1.7
87.00867	0.9
89.02451	2.3
93.03430	1.0
95.01393	1.3
95.05045	0.7
97.02956	2.2
99.00870	2.5
101.02426	2.9
109.02925	1.0
109.06590	1.1
110.00100	1.3
111.00861	3.6
113.02422	2.0
121.02962	2.3
125.02435	1.0
137.02428	8.0
139.00348	3.5
139.04037	1.1
140.01134	1.1
141.01956	4.5
153.01920	5.6
161.04555	0.8
163.11295	1.6
165.01917	8.6
165.99068	2.9
166.02563	0.8
166.99858	1.5
167.03471	1.2
167.14383	0.6
171.10222	1.3
180.81915	0.6
181.01408	8.5
182.02197	89.4
183.02963	76.7
183.13940	6.3
184.03297	3.1
193.12320	1.0
195.02980	1.8
199.13425	1.8
207.10233	4.1
209.11803	11.3
211.13376	100.0
212.13705	3.8
215.13072	0.7
225.11238	4.3
227.12823	5.7
235.08182	2.3
253.09206	5.2
275.20178	1.3
278.90265	0.7
327.07114	0.8
383.34912	0.6
397.13229	2.0
415.14578	1.1
419.24219	0.8
429.21100	1.4
447.22382	8.6
461.19931	0.9
518.73846	0.6
637.28601	75.9
638.29004	11.4
641.34668	0.7
655.33099	1.7
656.13623	0.7
673.25818	19.7
674.26715	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	672.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.5
64.93691	0.7
67.85840	0.7
69.68851	0.8
69.72865	3.6
83.01376	1.6
95.01412	0.9
97.02955	1.2
99.00809	0.9
110.00101	1.2
111.00883	2.7
118.80415	0.7
121.02949	1.2
123.35275	0.8
137.02478	5.1
139.00357	2.5
141.01897	2.7
145.58682	0.7
153.01901	3.2
161.55705	0.7
164.74820	0.7
165.01884	6.6
165.99046	2.4
166.99843	1.3
177.01836	0.8
181.01416	5.5
182.02200	82.4
183.02968	63.6
184.03299	2.0
194.02196	1.1
207.02864	0.9
225.03889	1.0
266.54202	0.9
281.24741	1.3
326.85208	0.8
525.46881	0.9
545.19257	0.8
588.85095	0.8
609.32727	100.0
610.33130	16.5
610.42450	1.1
680.87042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90857	0.5
65.00330	3.1
67.01886	0.7
69.48235	2.2
69.48640	1.0
70.13694	0.5
71.01365	0.7
77.20674	0.5
80.80491	0.5
81.03448	2.3
83.01384	5.2
84.31290	0.6
87.00892	0.9
93.03435	0.9
95.01344	0.8
96.99330	0.8
97.02964	0.7
102.98615	0.9
108.02183	2.0
109.02949	9.0
111.00884	7.0
120.01238	0.7
122.03758	0.6
123.04494	2.0
124.01663	2.1
125.02441	2.3
128.03543	0.5
135.00874	1.9
135.04520	2.2
136.98772	5.0
137.02426	4.4
139.00352	8.2
149.02472	0.5
151.00304	0.8
151.03970	0.7
153.01930	60.3
154.02304	1.6
156.00668	0.6
162.02307	0.5
165.01913	1.2
166.02722	1.6
166.08795	0.7
167.03487	9.9
168.03835	0.7
173.02191	0.6
179.03481	2.4
181.01419	100.0
182.01845	3.2
183.02969	6.5
194.02188	3.1
195.02966	12.0
198.21736	0.5
223.02448	4.9
226.06342	1.6
227.07138	1.9
235.02284	0.9
253.08757	1.2
255.10265	9.1
256.10773	0.9
283.04626	0.9
325.05859	1.5
329.08853	1.1
342.09528	1.2
343.06601	59.3
344.06970	3.9
378.83197	0.7
552.07581	0.8
572.38757	0.6
637.37000	0.7
674.07904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49358	0.4
59.01355	1.0
59.53580	0.4
61.98836	0.4
66.64042	0.4
69.03436	0.6
71.01374	0.4
71.51630	0.5
71.52000	0.4
75.00921	0.4
77.04045	0.4
83.01382	1.3
85.02957	0.4
87.00880	0.5
88.12745	0.4
93.03460	3.3
95.01431	0.6
96.99323	0.8
97.02955	0.7
99.00886	0.7
109.02924	0.4
110.00034	0.4
111.00855	1.4
111.04546	0.5
119.05030	2.7
121.02936	1.5
123.04543	0.8
124.17336	0.4
125.02409	0.5
131.05023	1.1
133.02959	1.0
137.02451	3.2
139.00398	1.2
139.04024	0.9
141.01857	1.9
143.05025	3.0
145.02982	0.4
151.03958	0.7
153.01909	1.5
153.03784	1.0
155.03487	0.7
156.60085	0.4
162.30530	0.3
163.03992	2.3
165.01912	4.7
165.99049	1.0
166.02618	0.5
166.99802	1.0
167.03424	0.4
175.02541	0.4
177.01863	0.4
179.03401	0.4
181.01399	4.3
182.02197	66.9
182.81422	0.4
183.02966	67.0
184.03317	2.8
194.02209	0.7
195.02928	2.1
207.02953	0.5
207.04968	0.5
211.07584	0.7
237.09210	0.8
255.87199	0.4
265.08597	2.3
298.87781	0.4
309.07919	0.6
327.08771	13.4
328.08981	1.1
345.08240	100.0
346.08621	6.9
383.05676	0.5
673.14856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07449	0.6
57.13493	0.6
59.01366	1.8
60.82771	0.6
61.98827	5.6
63.02382	1.3
65.00319	1.5
71.01378	2.3
71.52225	0.7
74.39122	0.7
76.97936	0.6
83.01374	1.8
87.94414	0.6
93.03450	1.3
101.02419	1.0
102.14129	0.7
107.01384	2.7
109.02940	1.5
110.43367	0.6
113.02419	1.0
115.75935	0.6
115.92057	1.3
121.02955	1.0
123.00925	0.8
125.02597	0.8
132.02197	0.8
133.02049	1.1
133.02951	11.3
135.00912	0.7
135.04527	22.8
136.04869	1.1
137.02438	1.0
137.25175	0.7
149.06065	1.3
151.00342	4.1
153.01944	1.5
159.04491	1.3
161.02434	50.2
162.02777	1.9
163.00438	1.4
165.01862	0.8
169.01324	0.8
172.61348	0.7
177.05528	1.6
179.03491	17.1
181.01411	1.6
182.02191	4.4
183.02971	4.7
184.03297	1.2
185.06062	2.1
187.03976	1.3
189.05524	0.9
199.04004	0.8
211.03918	1.2
213.05492	1.2
221.04524	0.7
227.03473	10.8
229.05006	7.0
239.03426	1.3
241.05119	1.2
255.02979	19.0
256.03522	2.7
257.04529	6.1
284.03271	23.1
285.04022	80.9
286.04346	5.8
323.07687	18.6
345.08191	4.4
346.08627	1.4
393.70230	0.8
447.09329	1.9
523.53540	0.7
609.12433	100.0
610.12903	14.0
634.22156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88144	0.4
55.20740	0.5
61.98814	2.0
65.00323	0.9
80.85336	0.5
83.01399	0.6
98.19914	2.0
107.01353	1.7
108.02138	0.9
109.02933	1.1
121.02951	0.9
133.02919	0.5
148.01692	0.6
149.02411	0.6
151.00371	9.3
163.00348	1.8
178.99846	3.2
183.02786	0.8
226.02623	1.3
227.03503	1.5
243.02940	7.3
254.02180	1.6
255.02972	19.0
256.03259	1.4
271.02463	40.5
272.02896	3.0
299.01865	0.7
300.02719	81.0
301.03433	23.5
301.06308	0.4
302.03824	1.6
537.58832	0.6
572.14154	0.6
609.14557	100.0
610.14917	10.3
672.18005	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	671.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34656	0.4
56.53962	0.4
59.01370	1.4
69.03465	0.8
71.01377	1.4
71.51955	0.5
75.00862	0.6
83.01386	1.8
85.02956	1.2
87.00835	0.5
88.98811	0.7
93.03476	1.2
97.02955	0.9
99.00879	0.7
101.02452	0.5
103.08626	0.4
109.02940	1.2
110.00075	0.5
111.00874	1.8
113.02450	0.5
117.03429	0.9
119.05024	1.4
121.02936	1.1
123.00848	0.7
123.04523	0.9
125.02440	1.0
127.03980	0.5
135.04489	1.6
137.02454	5.2
139.00354	1.3
139.03938	1.2
140.01190	0.6
141.01938	2.7
145.02965	2.6
149.02454	0.6
150.03215	0.6
150.92969	0.6
151.00366	0.9
151.03984	1.0
153.01907	3.2
155.03488	0.5
161.02406	0.9
163.04005	0.8
165.01936	4.8
165.05571	0.5
165.99104	1.2
166.99757	1.2
167.03461	1.3
175.02440	0.6
177.01932	1.1
179.03529	1.0
181.01436	4.5
182.02199	60.2
183.02968	64.8
184.03323	2.6
194.02179	0.6
195.02966	2.0
207.05049	0.7
219.02965	1.0
234.01714	0.9
235.02461	1.2
245.04639	0.5
255.10268	0.7
273.15894	0.4
285.03946	0.8
301.03595	0.5
316.31879	0.4
327.07193	1.4
345.08234	100.0
346.08655	6.1
397.07523	0.8
447.10748	0.6
463.06747	0.6
491.11969	2.2
507.13516	0.8
509.12439	0.6
561.13055	0.6
609.13824	0.5
612.85284	0.4
671.17920	3.8
672.18719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78301	0.5
59.01396	1.0
70.86320	1.2
71.01385	1.0
75.00891	0.5
78.95928	0.9
83.01369	3.1
89.02462	0.5
93.03450	1.3
101.02428	0.9
109.02938	0.5
111.00873	0.8
113.02438	0.8
117.03650	0.6
121.02975	0.9
128.03542	0.6
143.04700	0.7
161.02504	0.8
161.06104	0.5
177.01854	0.8
180.09792	0.5
182.02219	1.6
183.02933	0.8
189.02049	0.6
195.08180	0.7
196.08484	0.9
203.03412	0.7
205.01398	2.4
209.04581	1.0
217.04979	1.7
229.04970	1.2
230.02232	0.7
231.02998	0.6
233.00871	2.2
233.04521	1.4
234.01598	0.8
235.02480	0.8
245.04575	1.9
247.02306	0.7
249.04172	0.6
258.01645	1.0
259.02368	1.3
261.00458	1.9
261.03873	0.5
263.61591	0.5
271.02518	1.2
273.04004	5.5
274.01099	0.8
274.04245	0.5
283.09653	2.4
284.10022	1.2
285.00348	0.6
285.10385	0.8
289.03522	1.9
299.01941	1.7
301.03549	10.5
302.00665	0.9
302.03867	0.5
303.01453	0.8
306.07477	1.6
317.03003	11.1
318.03424	0.7
345.02487	90.6
346.02972	9.6
392.99951	0.6
425.14075	0.5
451.80844	0.5
508.08560	43.3
509.08911	4.3
671.14594	100.0
672.14880	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	671.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98003	0.4
59.01377	1.2
61.98827	4.5
71.01384	1.2
71.52997	0.5
71.75699	0.4
75.00864	0.5
83.01387	1.5
84.48065	0.4
85.02950	0.7
93.03456	1.3
97.02937	0.8
99.00874	1.4
101.02489	0.8
109.02943	1.8
111.00871	1.7
113.02435	0.6
116.92876	0.8
118.92683	0.5
119.05038	3.7
121.02962	0.6
123.04544	0.5
125.02399	0.6
133.01440	0.8
135.04483	3.2
137.02472	2.4
138.12840	0.4
139.00313	0.9
139.03995	1.3
140.01161	1.2
141.01932	7.7
151.00317	1.5
151.03993	0.9
152.04774	0.6
153.01932	5.7
157.06558	0.5
159.08105	0.5
161.02492	0.7
161.06116	0.6
163.04018	0.9
165.01949	3.2
165.82414	0.4
167.03513	5.0
173.06116	0.4
175.02478	0.5
175.07616	0.7
178.99866	0.7
179.03513	2.0
181.01416	8.5
181.05011	1.6
182.02205	19.0
183.02977	20.6
184.03455	1.1
193.05121	0.6
195.02974	4.4
196.03731	1.8
199.07594	0.6
203.07196	0.6
206.02214	0.4
207.02969	0.8
207.05049	0.7
208.03746	5.2
209.04512	3.1
217.05299	0.5
217.08554	0.6
225.11302	0.6
228.03043	0.5
231.06601	1.0
234.01654	1.2
235.02434	1.2
241.08818	0.6
243.06613	0.7
245.04608	0.5
257.08151	0.8
259.06073	10.7
260.06580	0.7
261.06119	0.4
271.02530	1.5
285.07672	0.8
286.04800	0.6
287.05591	5.7
300.02777	3.5
301.03510	1.2
301.07037	0.6
302.07950	22.6
303.07974	2.4
305.06570	0.6
327.07108	1.4
328.05634	0.7
329.06720	0.8
345.08209	15.8
346.06836	8.5
347.07599	3.7
353.08780	0.5
371.09830	3.8
397.07922	1.0
437.51169	0.5
463.09067	1.0
464.11356	0.9
473.10846	0.7
491.12097	3.5
509.12964	100.0
510.13272	11.2
525.12494	2.2
529.32031	0.5
609.12390	3.8
671.16217	4.8
671.36444	0.6
672.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01368	3.6
61.98828	71.1
62.28451	0.5
63.02383	0.9
67.27278	0.6
71.01384	8.1
71.52609	0.9
72.99303	1.1
73.02948	1.0
75.00922	0.8
78.95904	1.1
83.01389	1.7
85.02950	6.1
87.00869	1.2
93.03461	2.6
95.01417	1.4
99.00880	1.3
103.00373	1.8
107.01410	1.7
109.02995	0.8
111.71015	0.5
113.02441	6.7
115.00355	1.9
117.03463	17.4
119.05022	8.6
128.03531	0.9
128.51720	0.5
130.04208	0.7
135.00871	0.9
137.02469	0.9
141.02034	0.7
143.04947	1.4
145.02945	100.0
146.03285	4.3
147.04538	0.9
151.00377	4.4
153.01935	0.9
157.06624	0.7
159.04530	1.7
161.06084	0.9
163.00395	1.6
163.04007	6.4
167.03459	1.1
169.01375	0.6
169.06561	0.8
171.04558	0.9
175.02467	5.9
175.03862	0.9
177.05553	0.6
181.01465	0.7
182.02292	2.7
183.02945	3.0
183.04433	0.7
185.06114	1.9
187.03954	4.0
189.05519	1.5
197.06030	1.1
201.05559	1.7
203.03493	2.0
209.11937	0.8
211.03960	1.3
213.05554	1.4
214.02733	0.8
225.11171	0.6
227.03436	5.8
229.05013	11.2
239.03433	1.2
240.04210	0.9
241.04997	1.5
248.98933	0.6
255.02968	9.0
256.03607	1.3
257.04575	5.1
283.02423	1.7
284.03223	13.7
285.04007	77.7
286.04391	5.2
306.07748	1.7
321.06125	43.7
322.06378	3.7
327.06961	0.7
345.08301	2.5
443.06155	31.7
444.06665	2.8
461.07306	1.7
607.10895	41.5
608.11133	6.2
669.40863	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	670.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.17451	0.3
61.98812	2.5
69.03454	0.8
69.78859	1.8
70.70633	0.4
71.01350	0.9
77.03971	1.2
78.95887	0.7
81.03463	0.5
83.01383	2.3
84.43266	0.4
85.02916	0.7
93.03468	0.4
97.02964	1.3
99.00879	1.7
109.02944	1.0
110.00085	1.7
111.00880	2.6
111.04503	0.7
115.45048	0.4
121.02918	1.8
123.04462	0.5
125.02468	0.5
136.98802	0.6
137.02429	6.6
139.00356	3.5
139.03983	0.8
140.01146	0.9
141.01915	3.9
151.03978	0.9
152.99565	0.6
153.01920	4.2
155.03455	0.4
157.58469	0.4
163.03918	0.4
165.01913	7.9
165.99063	3.9
166.02583	0.7
166.99837	2.0
168.84315	0.4
177.01877	0.6
181.01414	8.1
182.02196	97.5
183.02963	77.4
184.03351	2.2
186.01654	0.5
194.02220	1.1
195.02954	1.5
195.54501	0.4
207.03033	0.6
225.03923	0.5
244.02339	0.4
255.23369	0.6
272.00916	0.4
279.23279	1.0
327.07245	1.3
512.54266	0.5
607.31207	100.0
608.31476	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	669.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69581	0.4
59.01373	0.8
65.00326	0.5
67.01891	0.6
69.03454	1.9
70.82417	0.8
71.01389	1.0
77.03938	0.7
78.90673	0.4
79.01891	0.6
83.01393	3.0
83.05002	0.3
85.02971	0.7
93.03468	0.7
95.01373	0.7
97.02956	1.6
99.00878	1.5
108.02134	0.5
109.02945	1.4
110.00077	2.0
111.00896	3.4
113.02366	0.5
118.95491	0.4
121.02953	2.3
123.00825	0.4
125.02412	0.6
136.98752	0.5
137.02437	9.3
137.06041	0.4
139.00374	3.7
139.03987	1.2
140.01118	1.3
141.01923	4.3
147.25014	0.4
151.03986	1.1
153.01927	6.7
155.03488	0.4
165.01901	9.5
165.99060	3.5
166.02594	0.7
166.99817	2.4
167.03564	0.6
177.01952	0.6
181.01418	9.7
182.02197	100.0
183.02963	90.3
184.03317	3.1
193.05017	0.5
194.02182	1.3
195.02907	1.4
207.02972	0.5
209.11833	1.1
223.13422	1.4
227.12845	0.9
243.15839	0.4
327.07092	1.6
341.23480	0.6
345.08231	0.9
393.42822	0.4
396.06766	0.4
490.78290	0.4
509.83847	0.4
555.20868	1.6
564.95117	0.4
669.31238	93.7
670.31543	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.6
61.98827	27.3
69.19003	4.8
69.19423	6.4
71.01373	7.6
72.99271	1.5
75.00885	1.4
81.03438	1.4
83.01382	6.1
85.02923	4.0
87.00829	2.2
88.98753	1.2
93.03408	2.2
95.01382	3.1
97.02895	1.6
99.00871	3.5
103.00373	2.0
106.06610	11.2
107.01394	1.6
109.02944	2.6
111.00889	2.3
113.02458	6.9
115.00347	3.2
117.03452	10.7
119.05042	7.7
123.04494	1.2
125.02378	2.3
128.03511	3.3
137.02396	5.1
138.03207	5.9
141.01888	3.9
143.04659	2.1
145.02942	66.9
146.03307	2.3
146.04549	1.7
150.05598	7.4
151.00348	5.1
151.03967	1.4
153.01912	16.7
159.04457	1.3
161.02371	1.7
163.00345	2.1
163.03984	4.7
165.01952	7.3
166.02647	3.1
167.03508	10.0
170.02150	3.7
171.10240	1.3
175.02536	6.0
175.03856	1.3
177.01877	1.2
181.01405	15.9
182.02199	39.0
183.02962	39.6
184.03270	2.3
185.06027	2.0
187.03937	1.2
194.02148	6.4
195.02919	11.3
196.07716	1.5
197.06061	1.3
203.03448	1.8
205.05052	1.5
207.03027	2.2
209.11774	3.4
213.05521	1.7
219.03015	1.1
225.11266	3.2
227.03471	4.5
229.05043	8.7
233.04550	1.5
234.01617	1.6
235.01984	2.2
238.04959	2.0
239.03397	1.6
254.07756	1.7
255.02884	6.8
256.06079	2.6
257.04468	3.6
272.08997	2.7
284.03146	10.8
284.09274	1.2
285.04001	60.0
286.04352	5.0
298.07315	6.5
299.07892	4.1
300.08725	3.6
301.09525	1.8
306.07605	6.0
321.06091	32.3
331.06778	1.3
345.08228	24.6
346.08649	5.2
357.08243	3.3
358.80093	1.2
359.06409	4.1
396.86444	1.4
397.07294	1.4
398.08224	2.2
443.06180	26.9
444.06271	2.5
490.13516	6.7
507.13458	9.0
508.14465	17.4
509.13885	1.4
607.10815	30.5
608.11292	4.2
670.19788	100.0
671.19977	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	669.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01374	0.6
65.00340	0.4
68.99830	0.5
69.03448	1.7
70.41158	0.4
70.82063	0.9
70.82383	0.5
71.01370	1.1
77.03955	1.2
83.01378	3.0
85.02962	0.7
93.03457	0.8
95.01385	1.1
96.96011	10.7
96.96616	0.9
97.02946	1.3
99.00889	1.7
105.90633	0.4
109.02947	1.0
110.00082	1.9
111.00895	3.9
111.04464	0.5
113.02450	0.7
121.01552	0.4
121.02948	2.5
123.00874	0.7
125.02510	0.6
136.98862	0.7
137.02444	7.7
139.00362	3.4
139.04034	1.2
140.01163	1.3
141.01933	5.0
151.04012	1.2
153.01952	5.9
153.09148	0.4
155.03499	0.6
164.01132	0.6
165.01929	9.5
165.99081	4.4
166.02588	0.8
166.99881	2.1
167.03503	0.8
171.10239	0.4
173.61108	0.4
181.01440	9.8
182.02208	100.0
183.02974	89.7
184.03297	3.6
193.04991	0.5
194.02187	1.5
195.03004	1.7
204.76825	0.4
207.02988	0.5
209.11749	0.8
211.13495	0.7
223.13239	0.5
225.04036	0.6
327.07095	1.3
341.23517	0.8
345.08029	0.5
669.31219	87.6
670.31531	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	669.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72455	0.7
55.01867	1.3
58.00594	1.2
59.01376	22.8
61.98799	0.9
69.03433	1.2
69.61958	4.8
71.01376	20.1
72.99301	1.5
73.02924	3.9
83.01395	3.3
85.02951	4.3
85.81720	0.7
87.00868	4.3
88.98830	1.7
89.02443	18.9
95.01377	1.3
97.02958	4.0
99.00908	1.2
99.92603	2.0
101.02439	16.3
109.02946	7.8
111.00917	0.9
111.91741	0.8
113.02448	6.5
115.00373	1.4
116.92853	19.1
119.03507	4.6
119.05006	0.9
123.00916	2.7
125.02449	6.1
131.03511	1.0
133.01430	1.0
133.05057	1.2
135.04572	2.2
136.05301	5.6
137.02454	1.7
139.00278	0.9
141.01886	1.4
143.03481	2.3
145.02969	3.8
149.06081	2.2
151.00375	6.4
153.01913	2.7
161.02411	2.9
161.04559	2.8
161.05988	1.0
162.03127	1.0
162.06865	1.1
163.03998	1.1
165.01862	2.1
167.03484	1.1
169.01263	0.8
171.10295	0.8
179.03458	1.4
179.05618	3.5
181.01413	3.7
182.02196	10.5
183.02950	13.3
183.13911	7.1
190.99873	3.5
191.10748	4.2
192.00581	3.3
193.12305	2.0
203.03493	0.9
206.02110	1.2
211.13382	100.0
212.13696	5.0
221.06618	1.0
233.00879	1.7
234.01669	21.9
235.02406	20.3
235.08200	5.9
236.02716	2.0
243.98605	0.8
255.06680	0.9
260.03284	4.1
261.03949	2.7
263.07849	0.9
281.04510	2.5
287.07642	1.9
303.07397	1.2
305.08759	3.0
323.05450	0.8
323.09894	1.3
327.07251	2.9
341.06418	2.4
345.08432	18.1
346.08542	1.9
366.23071	0.8
387.40417	0.7
397.07755	33.0
397.13489	73.3
398.08023	3.1
398.13846	5.1
415.14532	27.9
416.14880	1.1
423.09222	3.2
482.34348	0.8
489.28558	2.3
507.11334	15.5
507.29523	3.5
508.11655	2.3
609.27472	17.3
610.28351	1.6
669.14880	3.2
669.34937	25.3
670.35150	2.4
680.05890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
65.00311	0.5
68.99819	0.5
69.03438	1.7
70.52590	0.7
70.52946	1.0
70.92381	0.4
71.01375	1.5
77.03963	1.2
81.03468	0.8
83.01385	3.4
83.05022	0.5
85.02937	0.5
93.03449	0.7
95.01358	0.9
97.02954	1.5
99.00891	1.5
101.42628	0.4
106.63934	0.5
109.02898	2.2
110.00110	1.4
111.00871	4.0
111.04494	0.6
111.08064	0.5
113.02416	0.7
121.02987	2.3
123.00835	0.9
123.04518	0.5
125.02422	1.0
127.03988	0.6
135.00912	0.5
136.98801	1.2
137.01451	0.8
137.02435	7.7
139.00351	4.2
139.04021	0.9
140.01083	1.4
141.01930	4.8
151.04004	1.1
153.01924	21.9
154.02345	0.8
155.03439	1.2
163.04028	0.7
164.01169	0.6
165.01938	8.7
165.99072	3.3
166.02707	3.6
166.99825	2.0
167.03468	1.2
171.10297	1.1
177.01939	0.7
179.03534	0.7
181.01419	57.0
182.02197	95.4
183.02963	100.0
184.03342	3.2
186.01752	0.7
193.01370	0.6
194.02127	1.2
195.02948	3.1
207.02992	0.9
209.11713	0.5
225.04028	1.2
226.36499	0.5
237.04112	0.5
267.04895	0.5
306.48581	0.4
327.07355	2.4
345.08340	1.8
399.09467	1.1
441.13947	0.5
469.16711	0.7
499.18176	29.2
500.18524	2.8
527.18127	4.0
528.18018	0.6
529.19543	0.6
553.19250	16.5
554.19568	2.6
555.20898	5.1
556.21240	1.0
571.20148	5.1
572.20367	0.6
637.41992	0.5
669.27533	10.1
670.28546	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	669.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.5
59.01378	12.7
59.91522	0.4
67.01875	0.9
71.01376	5.8
72.99266	0.5
75.96805	0.4
83.01363	0.7
85.02943	1.3
87.00883	0.7
89.02441	6.5
93.03455	31.2
94.03802	0.6
95.01391	1.5
101.02460	2.6
107.05019	0.6
109.02956	1.1
111.00877	23.3
113.02428	2.7
113.11775	0.5
117.03471	0.8
119.03526	2.2
119.04998	6.2
121.02904	0.5
123.00862	1.0
131.05008	0.6
132.05724	0.6
133.06581	1.5
135.04453	0.5
137.02394	0.8
143.03383	0.6
143.05031	0.6
145.02948	1.7
145.06551	1.9
151.00354	1.4
161.02383	0.5
161.04535	0.9
163.03972	1.9
169.06549	2.1
171.04477	1.1
171.08234	2.1
179.05623	1.3
182.07367	0.9
183.08206	0.8
185.06091	2.5
195.08134	26.9
196.08722	3.1
197.05997	1.2
197.09721	10.6
198.10124	0.6
203.03464	0.5
209.09673	0.8
211.07642	6.7
211.11288	0.6
215.03464	0.8
215.07166	0.5
219.08142	1.2
221.06133	0.6
221.09685	1.9
222.06770	0.8
223.07634	38.2
224.08020	2.7
225.09116	0.6
229.08676	1.3
234.01723	2.0
235.02414	1.5
235.07640	1.3
237.09215	5.4
239.10759	26.7
240.11156	1.4
241.08719	3.9
253.08804	0.9
255.10213	0.6
260.03198	0.7
261.04108	0.6
263.10898	0.8
265.08682	21.8
266.09006	1.7
279.10284	0.8
281.11502	0.9
283.09738	100.0
284.10019	7.3
285.07669	1.4
297.10950	0.6
301.10825	1.3
307.09644	1.6
309.07660	13.7
310.07996	1.3
325.10663	1.2
327.08737	13.5
327.11804	0.3
328.09009	1.1
345.09756	1.1
351.08691	9.5
352.08948	1.0
369.09732	1.1
381.09833	0.7
397.07736	5.0
423.09421	2.0
429.11847	1.6
489.13962	6.5
507.15262	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	669.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97860	1.2
59.01358	1.8
61.98835	7.5
71.01389	2.2
71.52731	1.9
74.02480	1.2
78.95901	1.9
83.01379	9.0
87.00942	1.2
88.98811	2.0
89.02426	1.1
93.03450	21.1
107.01370	2.5
109.02914	1.8
111.00874	2.0
117.03443	1.9
119.05030	16.2
123.04501	1.1
125.02450	1.8
135.04485	1.2
137.02428	1.4
141.01898	1.9
145.02965	5.3
150.06836	4.7
153.01923	8.7
158.82997	1.3
161.02420	2.0
163.00375	2.1
163.04004	10.5
165.01953	9.6
167.03439	1.7
171.04498	2.8
171.10291	2.4
175.02449	2.5
177.01929	2.5
179.03452	2.9
181.01448	7.0
182.02190	11.2
183.02937	10.2
185.06065	1.6
194.32611	1.1
195.02960	1.7
205.01401	38.0
206.01828	2.8
207.02940	1.6
209.11797	2.7
213.05711	1.5
221.01009	1.5
222.11340	1.8
225.11256	2.3
229.05045	3.9
230.05838	4.2
233.00932	7.0
234.01698	5.1
235.02473	8.2
237.01738	2.5
237.04022	26.4
241.05009	1.9
243.02957	4.1
255.06705	1.2
257.04532	30.8
258.05154	5.7
259.06100	37.9
260.06348	1.8
265.03519	24.9
266.04260	8.5
267.05084	2.1
285.04056	4.5
287.05594	20.0
306.07489	1.5
311.05603	1.3
327.04977	3.8
327.07623	1.6
328.05621	1.9
329.06598	4.2
331.08224	11.3
345.08014	2.4
359.07806	8.8
360.08447	22.5
361.09167	13.3
361.22430	1.5
362.09653	1.7
373.93036	1.2
379.06747	3.4
411.09329	72.5
412.09494	6.3
429.09952	1.6
431.09830	3.6
444.16019	2.3
473.10855	3.8
491.11676	1.5
505.13510	100.0
506.13834	12.1
507.33719	2.8
523.14551	57.6
524.14771	6.7
630.36584	1.3
669.18060	4.9
669.39447	7.8
670.18799	1.9
670.29651	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	669.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09347	0.5
56.17308	0.5
59.01371	1.5
60.99298	1.1
61.98827	2.6
65.00319	1.7
69.03445	1.0
69.23304	2.8
69.23730	1.9
71.01370	1.9
73.02952	0.5
77.03955	1.0
78.95894	4.4
81.03446	0.9
83.01379	5.6
85.02950	1.2
88.98801	10.7
93.03458	5.1
95.01366	0.7
96.96014	0.7
97.02978	0.6
98.20724	0.8
99.00874	1.6
108.02126	0.6
109.02939	6.3
110.00090	0.7
111.00877	3.2
111.04511	0.7
113.02416	0.7
115.00423	0.7
117.03475	2.9
119.05026	3.6
120.16841	0.5
121.02945	3.2
123.00906	1.0
123.04519	1.8
125.02451	1.6
128.03523	1.1
129.01976	0.6
133.02942	2.1
134.03752	0.7
135.00912	1.5
135.04483	4.7
136.04823	1.0
136.89102	0.7
136.98801	3.2
137.02441	7.1
139.00356	3.3
140.01134	0.9
141.01941	3.4
143.05031	4.4
145.02950	4.2
149.02448	0.6
149.21822	0.5
150.03212	1.3
151.00322	0.8
151.03929	0.8
153.01927	39.2
154.02226	1.3
155.03525	1.1
159.04445	1.5
161.02425	4.8
163.04034	1.9
165.01947	6.9
165.98969	1.4
166.02693	2.3
166.99802	0.9
167.03465	2.4
171.00710	0.7
171.04491	1.1
175.02457	1.1
177.01982	0.7
177.05557	6.0
178.02626	0.8
179.03494	5.0
180.03867	1.0
181.01419	56.3
182.02194	51.2
183.02966	58.1
184.03331	2.4
186.01663	0.8
191.03473	1.6
193.01389	1.0
194.02205	1.0
195.02943	1.9
206.02187	1.7
207.02946	3.8
209.11807	0.5
210.06831	0.7
211.07614	3.8
218.99300	0.7
219.03006	0.6
223.07610	1.0
225.03987	1.2
225.11441	0.9
234.01666	31.4
235.02446	8.6
235.07600	2.3
236.02963	0.7
237.09125	3.7
249.04033	1.1
253.13861	0.5
265.08621	5.3
285.06213	1.0
309.06302	0.5
327.07172	100.0
328.07498	5.7
341.10309	7.4
342.10837	0.6
343.04770	0.7
344.05316	1.2
345.08307	33.4
346.08636	2.6
397.07700	15.3
398.07877	1.6
457.09906	2.2
491.11862	11.6
492.12216	1.0
507.11392	26.4
508.11948	3.1
579.28094	6.5
580.29034	0.8
668.34406	0.7
669.18060	8.7
669.33862	1.2
670.18524	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	668.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07888	0.9
61.98820	1.9
69.03461	1.4
69.46463	5.9
77.03976	1.0
79.21310	0.9
83.01384	1.6
95.01381	1.2
97.02917	1.5
99.00892	1.1
103.43632	1.0
110.00072	1.5
111.00897	2.3
121.02924	1.8
122.65260	0.8
125.02454	0.9
137.02448	7.0
139.00365	3.4
141.01942	3.6
153.01947	4.6
163.43445	0.9
165.01909	10.7
165.99074	3.5
166.99855	1.6
181.01389	8.8
182.02199	100.0
183.02968	82.6
184.03299	2.3
194.02145	1.1
195.03011	2.0
225.04088	1.0
277.21722	1.2
293.03586	0.8
410.33475	0.9
410.39020	0.9
420.39340	0.9
605.29626	97.4
606.29974	18.3
677.81769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12322	0.4
58.21900	0.4
59.01383	4.7
69.03446	1.9
71.01376	5.9
73.02948	0.6
76.71821	0.4
83.01360	1.1
85.02953	1.4
88.62795	0.5
89.02451	3.8
93.03455	3.8
95.01385	0.6
98.20742	0.8
99.00893	2.3
101.02447	2.0
103.52662	0.4
107.67260	0.4
108.02175	3.7
109.02946	11.9
109.23752	0.4
111.00824	0.7
111.04523	0.6
113.02460	3.1
115.00381	5.9
117.03483	1.0
119.03535	0.8
119.05025	10.9
120.05358	0.6
121.02993	2.6
122.03754	1.7
123.04506	1.1
125.02479	0.8
131.05005	0.6
132.71967	0.4
133.02956	9.2
134.03687	0.5
135.04529	14.7
137.02463	0.7
139.00400	0.8
143.04967	0.5
145.02942	2.4
145.06561	0.6
146.03658	0.7
147.04510	1.9
149.02301	0.5
149.06111	0.6
155.03479	0.6
157.01408	2.4
159.04593	1.1
161.02437	34.5
161.06053	2.6
162.02782	1.6
163.04008	11.6
171.04491	1.4
171.08224	0.7
174.03185	0.8
175.04042	1.4
177.05496	0.6
179.03499	20.6
179.05569	1.2
180.03812	0.8
183.08160	0.7
185.06061	2.4
187.03960	0.9
197.06071	1.9
198.01627	0.7
198.06912	0.5
199.07629	1.8
203.03450	1.3
208.05283	1.2
209.05986	1.2
210.06845	2.3
212.04839	0.5
217.03517	1.9
222.06636	0.6
224.38255	0.4
225.05573	3.7
225.09076	0.6
226.04054	0.6
226.06332	12.5
227.07126	100.0
228.07481	6.3
229.44971	0.5
237.05821	0.6
238.06343	1.3
239.07108	2.9
251.07191	1.0
253.08720	6.8
254.09277	1.2
255.10252	42.8
256.10556	3.4
261.22562	0.5
263.07129	1.6
266.05807	7.1
267.06302	0.9
277.05740	2.6
279.06546	1.0
281.08212	25.7
282.08499	1.5
299.09259	6.8
325.06812	10.1
326.07529	1.3
337.15051	4.1
338.15265	0.6
341.08594	18.5
342.09531	1.1
343.08215	53.0
344.08530	4.1
361.07513	0.6
385.09213	3.7
415.10245	1.5
445.11246	4.7
446.11697	0.6
505.13492	1.5
506.14474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98093	0.3
57.03422	0.6
59.01379	3.9
60.99303	1.0
69.14404	3.7
71.01374	2.6
83.01389	0.7
85.02951	0.6
88.98805	3.5
89.02438	1.8
93.03468	1.0
98.19939	0.6
101.02436	1.2
105.03460	0.6
109.02957	4.6
113.02444	1.0
117.03501	0.9
119.03583	0.4
119.05023	3.9
121.02942	0.7
123.04523	0.8
125.02454	4.5
132.02135	0.9
133.02953	24.3
134.03568	0.8
135.04520	28.2
136.04849	0.9
137.02454	1.4
142.29222	0.3
145.02930	3.0
149.02441	0.6
149.06094	1.3
151.02734	0.3
151.03969	0.6
161.02434	100.0
162.02747	3.7
163.03963	3.2
175.03966	1.1
177.05530	1.9
179.03487	41.4
180.03819	1.6
187.04068	0.9
191.05591	0.7
203.03471	2.6
203.06973	0.5
205.05064	0.8
221.04422	2.2
226.06303	1.1
227.07112	11.7
228.07440	0.9
239.07109	3.7
240.07820	0.4
245.08226	0.5
251.05434	0.6
253.08665	0.9
255.10246	19.6
256.10577	1.0
266.05869	0.6
281.08118	1.6
287.05661	0.6
289.07162	3.4
299.09229	12.8
300.09485	0.8
325.07114	1.7
341.08719	44.7
342.09164	3.5
343.08176	11.9
344.08691	1.2
389.12335	0.6
407.07724	3.4
408.08069	0.5
425.08728	2.8
451.10382	1.2
505.13440	1.0
577.13519	1.8
667.18445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46571	0.9
59.01376	29.3
69.03442	0.7
69.14411	8.0
71.01010	1.2
71.01379	17.2
72.99299	0.8
73.02922	0.8
83.01372	1.4
85.02972	4.1
87.00845	1.5
87.16580	0.7
89.02438	20.4
93.03469	4.3
95.01394	1.4
99.00882	1.8
99.04554	0.6
101.02440	12.4
101.03093	1.0
108.02171	5.5
109.02957	13.3
113.02457	10.2
115.00372	5.1
119.03499	8.3
119.05009	1.8
121.02954	3.2
122.03725	2.5
123.04499	1.7
131.05016	1.1
135.04495	1.2
139.00392	0.8
143.35576	0.7
145.02962	3.0
145.06496	1.0
146.03705	1.4
147.04507	3.8
157.01425	3.5
159.04478	2.0
161.04663	0.8
161.06081	2.8
167.03516	2.6
171.04485	1.8
174.03281	0.9
179.03362	1.0
185.06102	1.3
187.04007	0.8
197.06096	1.4
199.07555	1.2
202.52061	0.8
203.03452	0.7
210.06827	3.2
211.07744	0.9
217.03630	1.8
225.05550	4.7
226.06337	11.3
227.07124	100.0
228.07430	5.4
238.06242	1.5
239.07114	3.3
251.07195	1.2
253.08679	9.4
255.10254	50.8
256.10568	2.1
263.07025	2.1
266.05862	6.9
277.05685	1.4
279.06522	1.4
281.08167	27.8
282.08539	1.9
288.57748	0.7
299.09265	2.8
325.07114	11.6
326.07193	0.9
337.15021	82.7
338.15347	4.1
341.10278	9.9
343.08185	77.7
344.08554	5.8
385.09280	6.4
415.10431	4.2
434.46561	0.7
445.11395	6.4
505.13400	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	665.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42248	0.5
58.00590	1.4
59.01378	28.0
71.01379	19.8
71.51616	0.5
72.99301	2.0
78.28166	0.5
83.01346	0.7
85.02940	3.6
87.00865	1.0
89.02440	19.5
95.01390	1.5
96.96009	0.6
101.02441	12.6
106.20255	0.5
109.02943	0.8
113.02459	8.1
119.03503	9.5
131.03497	0.8
133.02959	1.4
135.04524	2.8
143.03465	1.0
149.06033	0.8
161.02431	7.7
161.04457	0.6
175.03995	1.5
177.01923	0.7
177.05565	1.2
179.03484	2.0
179.05515	1.0
203.03458	7.9
221.04547	1.0
231.35654	0.5
323.13449	100.0
324.13751	5.1
341.08707	4.9
519.19098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85109	51.4
56.38995	56.1
56.66932	52.2
61.36525	58.0
61.98819	100.0
78.95882	89.9
79.26350	61.9
79.50715	54.2
98.09977	53.1
103.01979	54.5
129.10205	59.3
152.99553	85.7
209.55052	60.2
270.01288	52.8
270.26620	56.0
435.89700	62.4
630.04785	76.4
665.37769	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	666.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10427	0.3
61.98829	100.0
65.48026	0.3
71.51022	0.3
75.92908	0.3
152.05843	0.3
171.10260	3.8
173.52167	0.3
259.92206	0.4
277.21719	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	667.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01920	0.1
59.01373	1.2
68.11349	0.1
69.03458	0.3
69.61897	0.9
71.01369	1.5
74.02448	0.1
75.80627	0.1
81.03468	0.2
83.01392	0.3
83.89616	0.2
85.02953	0.6
89.02441	0.8
93.03455	1.3
95.01391	0.3
98.19908	0.3
99.00879	0.6
101.02449	0.6
104.42702	0.2
108.02166	0.9
109.02951	3.0
111.00850	0.3
113.02419	0.5
115.00375	1.9
117.03483	0.2
119.03513	0.3
119.05029	2.7
121.02943	1.2
122.03727	0.3
123.04498	0.3
124.02505	0.2
125.02497	0.3
133.02957	0.7
134.03720	0.2
135.04521	2.1
137.02361	0.3
139.00345	0.4
143.03535	0.2
143.04962	0.2
145.02878	0.2
145.06577	0.2
146.03676	0.2
146.53223	0.2
147.04500	0.4
157.01414	1.0
157.06587	0.2
159.04468	0.5
161.02411	1.5
161.04631	0.3
161.06081	0.7
162.02701	0.2
163.04004	2.0
169.01387	0.3
169.06454	0.2
171.04506	0.5
171.08217	0.3
173.06076	0.2
174.03201	0.3
175.04016	0.2
179.03468	2.5
179.05620	0.3
180.05830	0.2
181.06548	0.2
183.08109	0.3
184.05273	0.2
185.06094	1.9
187.03975	0.5
188.04733	0.2
197.06084	0.6
198.06720	0.3
199.07602	1.3
203.03473	0.6
208.05252	0.4
209.06107	1.1
210.06836	1.6
217.03505	0.6
221.06415	0.2
225.05586	1.4
226.06334	5.3
227.07120	100.0
228.07455	6.3
235.07614	0.3
238.06352	0.4
239.07092	0.8
251.07062	0.8
253.08669	2.1
255.10240	8.8
256.10553	0.6
263.07074	0.6
266.05838	1.8
277.05612	0.6
279.06708	0.4
279.10229	0.2
281.08191	6.5
282.08514	0.6
299.09216	0.7
325.06946	3.7
326.07339	0.3
341.09869	1.9
342.10205	0.2
343.08194	9.3
344.08557	1.0
367.09192	0.3
385.09164	0.9
415.10315	0.3
445.11185	1.0
487.12216	0.2
505.13409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.28022	0.8
65.03960	1.4
67.39423	0.9
69.03445	1.8
69.21908	0.8
71.01371	2.6
73.02933	3.7
75.00882	0.8
77.03947	1.4
81.03423	2.6
83.01373	3.9
83.05016	2.4
83.35765	1.0
85.02932	3.5
85.26505	0.8
93.03454	20.5
95.01353	0.9
96.95967	1.2
97.02940	2.0
98.20752	2.0
99.00874	4.4
99.04521	1.3
101.02448	1.1
107.05008	2.8
109.02962	5.1
111.00838	3.1
111.04501	4.0
113.02388	1.0
119.05022	22.6
121.02908	3.3
123.04523	1.6
125.02467	1.7
133.06599	2.4
135.04469	2.1
137.01628	0.8
137.02451	9.4
139.00348	2.1
139.03944	1.4
140.01141	1.5
141.01929	6.2
145.02933	8.6
145.06528	1.8
147.04500	0.9
151.03951	0.9
153.01935	14.1
155.03490	1.1
157.06577	1.8
159.08142	1.2
161.06009	2.3
163.04012	11.8
165.01939	9.9
165.98990	1.0
166.99864	2.2
167.03436	1.0
171.08066	1.4
173.04468	2.2
173.06058	2.1
179.03391	1.4
181.01416	16.9
182.02193	83.3
183.02965	92.1
184.03262	2.7
185.06017	1.0
187.07620	2.3
189.09187	3.4
193.06531	1.3
195.02919	2.7
195.08090	3.8
195.09694	0.8
207.02943	1.8
209.06158	1.0
211.07573	3.0
213.09239	5.7
229.08580	1.5
229.60036	0.9
231.10135	1.1
265.29117	0.9
284.19733	0.9
293.10217	8.5
301.21848	0.9
303.07059	1.3
319.08240	6.8
327.07181	17.4
337.09250	95.6
338.09683	7.0
345.08215	100.0
346.08569	7.0
363.79532	0.9
481.13617	1.3
491.11853	24.4
492.12344	2.1
665.17139	68.8
666.17572	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	665.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06679	0.4
56.02494	0.4
58.09885	0.4
59.01395	1.0
62.66845	0.4
62.95675	0.4
67.94383	0.4
69.03442	0.6
69.88123	1.8
71.01374	1.4
73.02942	0.8
77.03935	0.5
81.03465	0.7
83.01379	1.4
85.02946	0.5
87.00874	0.6
89.02399	0.4
93.03447	4.7
96.96014	1.1
97.02953	1.3
98.19839	0.5
99.00897	0.8
101.02429	0.6
107.05037	0.5
109.02946	1.7
111.00880	1.0
111.04517	1.1
113.02428	0.7
119.05016	4.2
121.02962	1.0
122.21073	0.4
122.37073	0.4
123.04518	0.8
125.02415	0.5
135.04498	1.1
136.98889	0.4
137.02434	4.5
139.00369	1.3
139.04065	1.0
141.01915	2.7
145.02940	0.6
151.03996	0.7
153.01920	4.4
155.03468	0.7
156.05804	1.5
157.06548	1.1
161.02403	0.7
163.03947	2.1
165.01904	4.0
165.99065	1.3
166.99826	0.5
167.03496	0.6
169.06487	0.5
171.04474	0.6
171.08163	0.4
175.02409	0.5
177.01926	0.8
177.05402	0.4
179.03462	1.0
180.46527	0.4
181.01402	5.4
182.02202	56.5
183.02969	61.8
184.03307	2.2
186.01657	0.5
189.09309	0.5
193.05084	0.6
193.06674	0.5
194.02203	0.6
195.03023	2.0
195.08150	0.9
198.06918	0.7
207.03058	0.6
207.05107	0.6
211.07648	0.5
213.09219	1.7
227.27293	0.4
229.05035	1.3
257.08215	0.6
261.07474	0.6
275.09103	0.5
293.10266	0.9
319.08179	11.2
320.08456	0.8
327.07263	1.8
337.09247	4.9
337.40991	0.4
338.09756	0.5
345.08231	100.0
346.08594	5.7
357.08228	0.7
491.11707	0.5
665.17285	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	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
61.98823	2.3
65.00336	1.0
68.99783	1.0
69.30315	4.1
69.30722	1.7
71.01380	3.0
72.93214	0.7
72.99310	2.0
75.00870	17.4
83.01392	8.4
87.00864	2.4
89.02426	2.2
91.01896	0.8
93.03441	1.5
95.10231	0.6
97.02946	0.8
103.61181	0.8
105.03449	2.0
107.01384	2.3
108.02209	1.3
111.00855	1.5
113.02412	0.9
115.00342	3.6
117.01936	0.7
119.05024	22.8
121.02919	1.4
125.02470	1.7
133.01413	1.9
133.02959	1.2
135.02986	20.3
135.04523	2.7
136.03302	0.8
137.02434	2.4
138.03169	0.7
139.00380	1.8
141.01903	1.1
145.02957	1.3
149.02458	1.7
151.04005	1.2
152.01184	1.4
153.01894	1.9
161.02444	2.8
163.04002	26.2
164.01173	5.3
164.04308	0.8
165.01917	13.7
166.02589	1.5
167.03531	1.7
169.01425	1.1
175.02573	3.8
175.03914	1.3
177.01859	1.4
178.99829	2.9
179.03482	3.2
181.01393	5.5
182.02208	12.3
183.02936	6.2
186.55305	0.7
188.45488	0.7
191.03415	0.9
192.00627	16.0
193.01405	9.3
194.02200	1.3
195.02950	2.3
205.01422	0.8
206.99321	1.3
207.02951	1.0
208.00082	1.8
209.00880	4.3
210.01669	16.3
211.02257	4.0
219.02953	1.5
220.00108	12.3
221.00890	100.0
222.01328	5.3
223.02391	2.4
234.01602	0.9
235.02469	2.6
237.00407	0.9
238.00967	0.8
246.01678	1.0
247.02449	2.1
251.02039	1.4
267.01471	0.9
337.05478	2.0
337.09155	1.0
340.33316	0.7
345.08142	5.5
346.08435	0.7
353.05112	1.3
355.06830	2.1
365.05145	2.8
371.06125	1.9
373.07761	9.3
383.06137	20.1
384.06403	1.4
385.07697	2.2
397.07770	0.9
401.07187	17.1
427.08942	1.2
429.06516	1.7
457.09927	2.6
475.11087	2.5
491.11542	0.9
500.59976	0.8
509.12888	0.8
517.09863	7.1
518.53638	0.8
519.10645	4.0
529.09851	52.8
530.10016	5.9
545.09479	2.0
547.10895	5.6
554.90979	0.9
575.10394	3.1
637.15015	1.1
647.12256	1.0
665.16205	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	663.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32206	1.8
57.31771	1.7
59.01377	41.2
61.98815	3.2
71.01376	37.6
71.35082	2.9
72.06519	1.5
72.99303	2.8
83.01379	3.0
85.02937	7.7
87.00863	10.7
89.02443	52.6
101.02435	19.8
113.02435	21.3
119.03510	15.6
143.03464	5.0
161.04500	6.6
179.05586	20.5
234.55820	1.9
279.23270	100.0
280.23581	7.8
293.24707	5.6
305.56964	1.7
323.09772	28.9
324.09967	1.9
340.71533	1.9
341.10843	60.1
342.10852	3.2
534.01758	2.0
603.33661	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	664.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91119	0.1
59.01389	0.1
61.98827	100.0
62.98517	0.1
71.01380	0.1
125.00151	0.1
133.01608	0.1
163.18237	0.1
187.95758	0.1
278.22302	0.1
339.63696	0.1
431.54144	0.1
479.03046	0.1
487.71417	0.1
496.47141	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	665.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74621	0.2
55.01881	0.3
59.01366	0.6
69.03452	0.7
71.01391	0.5
71.05013	2.4
71.51702	0.3
77.03964	0.3
81.03484	0.3
83.01373	1.1
83.04996	0.2
85.02972	0.3
93.03458	0.4
95.01376	0.3
95.05025	5.5
97.02947	8.5
99.00868	0.5
106.26479	0.2
109.02228	0.5
109.02953	6.7
110.00063	0.3
111.00876	1.4
111.04472	0.3
113.02413	0.4
115.04003	0.8
121.02965	1.1
123.00905	0.6
123.04524	0.2
125.02383	0.3
130.18716	0.2
137.02437	3.9
139.00414	1.0
139.04005	22.5
140.01176	0.4
140.04361	0.6
141.01941	1.7
148.14259	0.2
151.03995	0.6
153.01930	19.2
154.02277	0.6
155.03485	0.4
165.01918	12.6
165.99088	1.1
166.02367	0.4
166.99785	0.6
167.03487	0.3
177.01880	0.6
181.01428	3.8
182.02196	66.2
183.02963	100.0
184.03299	3.4
186.01614	0.2
193.04980	0.3
194.02171	0.6
195.03003	1.6
207.02977	0.5
207.04953	0.5
225.04062	0.3
231.26422	0.2
291.87341	0.2
319.04559	10.5
320.04852	0.9
345.08234	83.9
346.08588	4.7
357.08203	0.4
525.80042	0.2
681.12006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46370	0.8
61.98809	0.9
78.95901	28.7
96.96941	2.9
98.20657	2.3
107.49242	0.8
111.39966	0.7
121.25682	0.8
125.90930	0.8
152.99577	35.5
153.00821	1.8
153.09111	0.8
153.12773	1.2
169.12320	6.4
171.00616	3.3
179.10789	1.3
195.10257	3.0
196.10602	1.6
197.11818	100.0
198.12129	5.5
211.13416	1.5
227.03169	3.9
245.04352	2.2
253.21701	22.9
254.22125	2.0
255.23318	8.7
256.23596	2.1
333.10919	2.5
407.14722	2.1
423.14337	0.9
424.14282	1.1
425.15784	83.4
426.16086	5.7
432.54700	0.9
614.20270	1.0
630.52161	0.9
661.37115	36.3
662.37823	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	663.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12820	0.3
59.01374	30.1
69.27137	2.6
77.43278	0.3
98.19842	0.6
99.08153	15.1
100.08491	0.4
102.93320	0.3
127.07648	10.5
143.07167	0.4
145.08698	100.0
146.09045	2.9
149.49498	0.3
151.99641	0.3
187.09740	45.0
188.10120	1.7
227.03497	1.1
255.03047	1.4
284.03305	1.9
285.03995	2.1
332.05014	0.3
373.22696	0.3
431.09769	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	661.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96845	1.2
55.71310	1.1
57.42590	1.4
59.01367	8.5
60.99295	2.6
61.98821	3.2
71.01398	2.9
77.62179	1.3
83.01371	1.9
88.98808	9.6
89.02473	1.4
98.20659	2.9
101.02466	1.9
104.46992	1.2
111.00880	3.7
116.92826	2.1
118.97702	1.3
121.02954	1.7
137.02443	7.0
139.00342	2.9
141.01929	4.4
146.04492	1.4
153.01917	5.1
165.01904	6.9
165.99086	1.4
166.99875	1.3
171.10255	55.5
172.10579	1.5
181.01408	6.5
182.02194	90.4
183.02963	80.7
183.13881	3.3
183.69649	1.4
184.03215	2.2
197.11989	1.7
211.13380	52.2
212.13751	3.3
235.08151	1.8
253.09331	4.3
272.92676	1.4
324.40292	1.4
358.41904	1.3
407.19220	1.7
447.22241	4.9
539.21381	20.7
540.21747	3.5
571.23920	100.0
572.24304	14.6
601.32220	2.0
661.13397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68750	0.4
59.01373	0.8
63.38472	0.4
64.55891	0.5
69.99400	1.0
69.99787	0.8
71.01367	1.0
78.70975	0.5
83.01380	4.1
87.00852	0.5
93.03436	1.0
94.03978	0.4
98.19977	0.8
109.02932	1.8
111.00880	0.9
113.02430	0.6
115.00352	1.0
121.02937	0.8
124.01654	0.7
125.02426	2.7
133.02904	0.7
135.04558	0.6
137.02449	1.3
137.43010	0.5
139.00333	0.6
141.01924	9.5
149.02428	0.5
149.35139	0.4
153.01924	5.8
161.02461	0.7
163.00319	1.6
163.04024	0.6
164.01125	0.9
165.01912	3.4
166.99800	0.5
175.02444	1.1
175.03941	0.8
177.01933	1.6
179.03438	0.7
181.01410	6.3
182.02202	6.3
183.02954	5.5
187.03999	0.7
189.01970	1.1
191.03442	1.0
193.01436	0.8
199.04024	0.5
201.01886	1.0
202.99828	2.1
211.03989	0.6
215.03426	1.1
217.04944	0.8
219.02950	0.9
221.00885	4.3
222.01611	1.1
227.03467	1.7
231.02962	0.6
232.03687	0.8
233.00967	0.6
239.03549	0.8
241.04979	0.6
243.02937	1.8
243.06610	0.6
247.02449	0.5
255.02904	2.4
256.03625	0.8
257.04507	1.6
259.02432	1.3
262.04730	0.6
269.04611	0.8
271.02362	0.6
273.03983	0.9
274.04736	1.0
281.00662	0.5
281.04364	0.8
283.02472	6.4
284.03149	3.8
285.03909	3.8
286.04700	1.2
286.55780	0.5
287.01950	1.0
288.02667	0.8
295.02457	1.2
296.03131	1.0
297.03973	1.9
299.01904	0.9
300.02692	0.9
301.03430	5.1
303.07211	0.6
309.04153	1.1
311.02087	0.6
313.03479	1.8
314.04272	0.7
324.02716	1.6
325.03516	5.7
326.03772	0.6
329.02869	1.1
330.03748	9.4
331.04364	1.9
337.03714	0.8
338.04358	0.8
341.02786	2.3
342.03574	1.0
344.66525	0.6
345.08313	2.9
351.01328	0.6
357.02472	1.4
363.05008	0.8
379.04520	0.5
380.05389	1.4
381.06134	0.9
384.06998	1.1
439.06674	2.2
448.04208	2.6
449.04926	1.1
466.05557	1.5
467.05893	0.6
493.09515	0.7
498.07947	2.8
499.08450	0.9
629.11322	5.3
630.11566	0.5
661.14050	100.0
662.14343	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	656.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22149	0.6
52.42413	0.6
56.65146	0.5
57.50988	0.5
59.01357	0.8
61.98827	61.8
69.17803	2.2
69.18224	3.6
69.47010	0.5
93.03501	0.7
98.20691	1.0
107.01379	1.5
116.92814	0.8
117.03461	2.1
119.05006	2.2
126.18532	0.5
128.03622	0.7
145.02948	10.9
151.00375	2.7
153.01921	0.7
161.17418	0.5
163.00378	1.1
163.03998	1.7
183.02963	0.7
185.06017	1.1
187.03981	1.1
197.06239	0.6
201.05420	0.7
211.04024	1.5
227.03476	18.4
228.03815	1.5
229.05042	4.0
239.03363	0.9
241.05133	0.7
255.02975	36.5
256.03610	5.8
257.04538	2.9
284.03238	63.3
285.03989	43.6
286.04370	3.1
307.08176	0.8
345.08212	1.1
405.94617	0.6
447.09198	2.6
593.12958	100.0
594.13239	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	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	25.6
86.00384	0.4
91.88039	0.4
97.73772	0.4
107.01386	1.1
129.01932	0.5
132.02196	0.5
133.45946	0.4
135.00873	0.5
151.00383	2.7
159.04407	0.6
163.00360	0.8
169.01318	0.5
175.04063	0.4
183.04420	0.5
185.02316	0.4
187.03941	0.6
206.49701	0.4
211.03960	0.7
227.03502	21.7
228.03912	1.6
229.05058	2.6
230.43236	0.6
239.03622	0.8
255.02980	45.0
256.03564	5.0
257.04605	2.8
284.03247	75.5
285.03979	31.1
286.04294	2.0
299.05453	0.4
327.05121	1.2
359.31824	0.4
522.03052	0.4
593.15082	100.0
594.15424	13.0
675.14240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96161	0.7
59.01377	100.0
60.01702	0.9
61.98829	7.6
64.13263	0.7
66.26295	0.6
71.53076	0.9
78.95912	5.1
113.08185	0.6
128.45798	0.6
144.22391	0.6
152.99605	2.1
187.53584	0.7
225.11267	1.2
232.82764	0.6
255.23363	2.2
279.23389	2.8
280.23914	0.9
350.57294	0.8
423.25510	1.8
615.35376	0.8
659.36914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01713	1.1
60.75689	0.5
61.98820	2.8
71.20890	1.0
76.74303	0.5
78.95911	2.3
86.93949	0.5
88.58575	0.5
128.19357	0.6
152.99577	0.6
167.01239	0.6
167.70105	0.5
255.23343	2.1
279.23389	1.1
297.72272	0.6
423.25204	1.3
432.70404	0.6
515.94067	0.6
541.37195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	2.0
59.01369	4.3
61.98830	13.4
69.03477	1.2
71.01377	2.1
71.52618	1.5
73.02972	1.5
74.02459	4.6
74.02869	1.2
77.22578	1.1
82.02944	1.3
82.64243	1.0
83.01390	1.8
85.02939	1.7
86.02459	1.3
87.00893	1.4
89.02486	1.1
98.87014	1.1
99.00903	1.2
99.05645	2.5
101.02438	1.3
102.04324	1.1
109.06595	1.4
113.02467	2.0
115.85851	1.2
116.92850	1.6
119.05121	1.0
128.03526	11.5
135.04500	3.6
136.05293	47.7
137.02434	2.3
141.01907	2.0
143.04601	12.6
146.04645	2.1
149.06099	9.9
153.01964	2.7
160.00725	2.3
161.02437	2.9
162.06857	7.2
163.07597	2.0
165.01927	1.9
171.10249	2.9
179.04665	2.4
181.01418	3.2
182.02177	8.7
183.02924	8.2
207.10234	2.0
208.03700	1.5
209.04466	1.4
209.11826	12.1
210.08804	2.8
210.12029	1.2
211.13387	4.2
222.12027	1.3
225.11292	1.9
227.12889	2.3
254.07904	4.4
261.18613	2.1
272.08829	7.8
285.04050	9.5
288.06485	1.9
289.01376	1.3
301.03543	1.7
306.07645	22.5
307.07977	4.2
308.07248	2.0
327.06900	1.6
345.08273	4.7
346.08862	1.6
393.63510	1.3
401.23489	2.3
432.28699	1.6
447.31219	11.1
474.29755	1.7
492.30936	2.2
493.31519	28.3
494.32196	3.4
539.59357	1.5
593.13080	5.7
637.32574	5.7
655.36987	100.0
656.37555	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08239	0.6
59.01392	1.2
61.98831	11.5
71.01387	0.9
81.58755	0.6
83.01373	0.9
89.02453	1.2
90.79031	0.5
93.03453	1.9
98.20629	1.1
101.02442	0.6
107.01383	1.0
109.02975	1.0
128.03497	1.1
133.02954	2.3
134.89473	1.4
135.00868	1.1
135.04533	4.2
139.35432	0.5
143.04788	1.0
145.02992	0.8
153.01814	0.9
159.04469	1.9
161.02425	6.2
161.78903	0.6
163.00351	2.0
165.01897	0.9
171.04501	0.9
174.20728	0.6
179.03487	1.8
182.02194	1.6
183.02870	1.7
185.06052	2.8
187.03983	3.0
188.26053	0.5
189.05635	0.6
195.04468	0.8
197.05946	0.7
199.04025	0.8
207.10262	1.6
209.11829	3.8
211.04008	2.0
211.13371	2.6
213.05562	1.3
214.59575	0.7
223.03993	0.6
225.11317	1.6
227.03508	2.8
229.05042	13.6
239.03497	1.6
241.04979	1.2
255.03011	1.8
256.03745	1.3
257.04593	6.8
267.03061	0.8
284.03201	2.0
285.04041	100.0
286.04407	6.0
306.07663	1.1
307.08078	1.2
311.60272	0.8
314.29623	0.6
345.08173	1.3
346.08505	0.8
401.23105	0.8
423.23474	0.6
431.09830	1.9
493.30048	2.8
494.12900	1.1
494.30362	1.2
562.45422	0.6
573.19128	0.6
593.12927	24.0
594.13257	3.2
637.31854	1.2
638.32764	1.6
655.33600	3.0
656.35040	1.4
663.18372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2971
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
57.03449	0.6
59.01390	2.0
61.98810	0.7
65.00319	0.4
68.99814	0.4
69.03457	1.7
70.99593	0.4
70.99924	0.4
71.01381	2.0
73.02953	0.6
75.00891	0.3
77.03951	1.2
81.03447	0.8
83.01378	3.1
83.05008	0.4
85.02952	1.0
87.00869	0.7
89.02435	0.6
93.03479	0.7
95.01393	0.9
95.05029	1.3
97.02948	2.2
97.06623	0.5
99.00895	1.8
101.02450	1.0
109.02955	1.1
109.06599	2.2
110.00106	1.4
111.00876	3.8
111.04527	0.8
113.02457	0.8
121.02956	2.7
121.06541	0.5
123.00876	0.6
123.04542	0.8
125.02464	1.2
125.09698	0.5
133.02986	0.4
136.98770	1.0
137.02441	8.7
139.00377	3.9
139.03999	1.5
140.01172	1.5
141.01930	5.1
149.02437	0.3
151.03986	1.4
153.01929	6.8
155.03465	0.8
161.04572	0.4
163.11328	1.2
164.50989	0.3
165.01936	10.6
165.99069	3.9
166.02528	1.0
166.99887	1.9
167.03505	0.6
171.10248	1.9
177.01955	0.6
179.03578	0.5
181.01424	9.1
181.12213	0.4
182.02200	100.0
183.02968	94.5
183.13957	0.8
184.03288	2.7
185.11813	1.0
186.01584	0.6
194.02180	1.0
195.02948	2.0
203.14349	0.3
207.02972	0.9
207.10278	4.8
209.11795	1.3
211.13390	9.3
225.04109	0.6
225.11288	5.1
226.11778	0.4
235.08173	1.1
247.13367	1.3
253.09276	1.0
264.58374	0.3
265.14398	0.4
278.27905	0.3
289.18210	0.3
317.32574	0.3
327.07303	1.5
327.21722	0.9
339.23181	0.3
373.23911	0.4
383.22067	1.4
391.24844	0.6
401.23355	2.6
402.23877	0.5
414.92810	0.3
419.24274	1.0
443.19022	0.6
461.20041	1.4
549.12305	0.4
609.32526	0.4
611.30804	0.6
619.31000	0.7
637.32227	7.4
638.32220	1.0
655.29657	92.0
656.29999	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	655.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
65.00323	0.5
67.63383	0.4
69.28034	3.1
71.01367	0.9
76.88095	0.3
81.03456	2.6
83.01385	1.5
89.02441	0.7
90.30389	0.4
92.81902	0.4
107.01425	0.4
113.02474	0.4
117.03471	6.0
119.04998	1.9
123.04522	21.5
124.04858	0.7
125.02464	4.8
145.02950	36.8
146.03275	1.6
151.00360	1.2
161.06049	0.7
163.04013	3.7
167.03491	100.0
168.03853	2.9
187.04018	2.0
205.04977	0.5
209.04518	1.4
227.07170	0.7
235.06281	0.5
265.07034	0.4
325.05460	0.9
325.09265	15.5
326.09625	0.9
329.08786	11.7
330.09000	0.5
418.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25053	0.5
59.01375	2.2
61.98827	10.7
65.00337	0.8
71.01388	2.5
71.53317	0.9
75.00874	0.8
80.04436	0.5
83.01388	2.2
83.05037	0.8
85.02952	1.1
89.02430	1.0
93.03453	4.8
96.96011	0.8
99.00879	1.5
99.05663	0.6
101.02469	0.9
107.01376	0.7
107.05025	0.7
109.02946	1.3
111.00852	1.1
113.02439	1.2
115.04012	0.6
117.03414	0.9
119.05023	5.7
125.02469	1.3
125.95398	0.6
128.03540	1.0
133.06639	0.6
135.04503	0.7
136.05270	2.4
136.98776	1.1
137.02437	5.3
139.00325	0.7
139.03989	1.0
140.01183	0.7
141.01941	8.2
143.04630	1.6
145.02940	0.9
146.04596	0.7
149.06079	1.3
151.00363	2.2
151.04004	0.9
153.01936	7.8
157.06551	1.5
161.02405	0.9
163.04024	2.7
165.01901	3.6
165.05603	0.6
166.02486	0.5
167.03490	5.6
171.04549	0.7
171.10280	0.9
173.06029	1.0
178.99730	0.6
179.03477	5.4
181.01418	12.6
181.05063	1.9
182.02202	17.6
183.02974	20.7
184.03355	0.8
189.04028	0.5
189.05661	0.7
191.06970	0.6
191.10677	0.9
195.02971	6.9
196.03754	2.1
199.04044	0.7
201.05551	0.7
205.12363	0.7
207.02995	2.5
207.04816	0.8
208.03719	4.5
209.04514	4.0
209.11806	9.2
215.07068	0.6
217.05116	0.7
219.02888	0.7
229.05118	0.6
231.06624	0.8
234.01695	0.9
235.02397	1.0
241.01410	0.9
241.05090	0.7
241.08768	0.8
242.02104	0.7
243.02940	1.7
243.06519	1.2
255.02946	0.7
257.04724	0.9
257.08017	1.0
258.05206	0.6
259.06094	14.4
260.06641	0.8
270.01752	1.6
271.02417	3.0
273.07684	1.8
285.03888	0.7
285.07782	0.6
287.05576	8.0
298.00995	1.0
299.01953	8.0
300.02582	2.4
300.06046	0.9
301.03665	0.9
301.07135	1.2
302.07950	26.0
303.07959	2.5
306.07684	2.2
327.07535	2.5
328.05722	1.5
329.06354	1.8
330.06332	1.2
345.08316	12.1
346.06885	10.1
347.07547	3.6
353.08725	3.1
371.09689	3.9
372.10233	0.6
373.25919	0.8
399.08344	0.6
438.68286	0.6
445.07852	6.5
446.08282	2.9
447.09174	0.6
475.30850	0.6
491.11945	7.3
492.12524	2.6
493.12512	2.9
493.31802	2.0
493.39105	0.5
509.12964	100.0
510.13300	10.5
581.58527	0.7
637.32526	0.8
655.16528	2.9
655.37054	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	655.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49134	0.3
59.01362	1.3
61.98822	1.5
69.03429	0.5
69.24925	1.3
69.25356	1.3
71.01374	1.3
75.00868	0.3
83.01391	2.1
85.02933	0.6
88.97813	0.3
88.98803	0.4
93.03458	2.9
95.01379	0.4
96.95995	1.7
97.02950	0.4
99.00883	1.0
99.05657	0.4
101.02447	0.5
109.02957	0.9
111.00877	1.8
113.02431	0.8
115.00345	0.6
117.03467	0.3
119.05019	5.7
120.10166	0.3
121.02930	0.5
123.00925	0.4
123.04543	0.6
125.02451	0.9
128.03549	0.7
133.01395	0.8
133.06622	0.5
135.04466	0.4
137.02443	2.1
139.00357	0.9
139.04004	0.7
140.01138	0.5
141.01941	6.8
141.51009	0.3
143.04657	0.4
145.02931	0.9
149.02444	0.7
151.00400	0.8
151.03992	0.6
152.04752	0.5
153.01935	5.9
155.83829	0.3
157.06558	1.0
159.04465	0.3
161.02435	0.7
161.06110	0.6
162.81413	0.3
163.00441	0.5
163.04013	1.8
165.01912	2.9
165.99051	0.3
166.02654	0.7
167.03502	6.1
171.04572	0.6
175.07602	0.3
177.01947	0.4
179.03491	4.4
181.01437	10.2
181.04997	2.0
182.02209	15.3
183.02982	17.3
184.03441	0.9
191.03467	0.4
195.03008	4.8
196.03755	2.3
199.07681	0.5
201.05617	0.4
201.09212	0.4
203.07169	0.4
207.03036	3.2
207.04938	0.6
208.03754	3.8
209.04549	3.5
209.11804	0.6
210.04767	0.3
215.07022	0.4
217.05042	0.8
217.08685	0.7
219.06599	0.4
230.05719	0.5
232.75316	0.3
234.01625	0.9
235.02361	1.9
236.02603	0.7
237.02924	0.5
241.05034	0.5
241.08681	0.8
243.02950	0.6
243.06610	0.7
245.04509	1.0
245.08110	0.7
257.08267	0.7
259.06079	12.0
260.06528	1.0
273.07690	1.8
284.03171	0.4
285.04034	0.9
285.07574	1.0
286.04688	0.6
287.05548	6.0
301.03653	0.5
301.07123	0.8
302.07932	27.0
303.08017	1.9
305.06500	0.7
306.07614	1.4
327.07297	1.7
328.05911	0.5
329.06461	0.4
345.08289	12.4
346.03101	0.6
346.06805	7.7
347.07584	3.7
353.08762	3.2
371.09790	3.1
396.23535	0.3
397.07721	0.9
398.08047	0.4
399.08252	1.2
467.11380	0.5
491.11996	6.4
491.18082	0.2
492.12308	1.0
493.12186	0.8
509.12967	100.0
510.13251	10.0
548.98645	0.4
593.12952	0.5
610.54504	0.3
655.16693	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	653.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40005	0.2
59.01375	0.2
61.98828	100.0
62.98534	0.2
70.63010	0.2
70.65960	0.2
70.66296	0.4
78.95893	0.2
129.32240	0.2
165.01959	0.3
174.77728	0.2
181.01416	0.3
182.02190	1.6
183.02957	1.8
345.99246	0.2
555.21222	0.2
558.64148	0.2
653.28253	1.7
654.28522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15361	1.0
61.98840	4.4
67.46961	1.2
69.03446	1.4
78.95908	10.7
82.35678	1.2
83.01385	2.6
98.20666	3.3
99.00903	1.3
105.11214	1.6
108.41494	1.2
110.00124	2.2
111.00885	1.9
121.03003	1.6
134.99139	1.3
137.02409	7.6
139.00369	2.3
141.01918	3.7
153.01939	4.4
165.01903	5.2
165.99033	2.9
181.01427	7.5
182.02196	95.7
183.02974	73.0
184.03349	2.7
195.02893	1.6
214.14508	1.1
224.52249	1.2
224.73059	1.2
225.03940	1.6
252.24060	1.4
274.82150	1.2
313.72998	1.4
318.88916	1.2
346.38477	1.2
417.20337	1.2
542.82874	1.3
591.28070	100.0
592.28461	11.9
651.80164	1.7
654.29901	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	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16821	0.2
55.01883	1.0
57.03449	1.2
58.00596	1.6
59.01378	34.2
61.98827	1.0
68.99802	0.5
69.03460	2.0
71.01379	35.2
72.01722	0.5
72.99301	2.8
73.02945	5.6
75.00875	0.9
81.03452	1.4
83.01387	4.1
85.02950	7.3
86.03333	0.2
87.00876	8.0
87.04475	0.2
89.02441	29.5
90.02766	0.4
91.04017	0.8
93.03457	0.4
95.01385	2.2
95.05030	0.2
97.02950	6.3
99.00870	2.4
99.04532	0.8
101.02439	29.2
102.02798	0.4
103.00360	0.4
103.04056	0.3
109.02959	0.8
111.00886	0.7
111.04509	1.1
112.01686	0.4
112.52083	0.2
113.02444	14.1
114.02746	0.3
115.04012	0.5
119.03493	8.6
121.02950	0.7
123.00867	0.4
124.01672	0.3
125.02448	13.1
127.04029	0.5
131.03519	1.6
131.07079	0.2
133.05084	1.0
134.35791	0.2
137.02415	0.4
139.03999	1.1
141.01921	0.6
142.08766	0.2
143.03496	5.7
143.04620	0.3
149.04547	0.8
157.05051	0.4
161.04538	6.6
167.03473	0.7
169.05005	0.5
177.01775	0.2
178.89182	0.2
179.05602	6.0
179.07184	0.3
181.04968	0.3
185.04538	0.5
193.93509	0.2
199.06108	0.5
203.05576	0.5
209.04596	0.3
217.07059	1.1
219.05037	0.4
221.06590	2.4
235.08214	14.0
236.08586	0.6
245.06689	0.7
253.09285	3.4
255.23268	100.0
256.23605	5.9
259.08466	0.2
263.07727	1.6
269.24896	0.7
277.09174	1.1
279.23322	0.3
287.07678	3.7
291.06665	0.5
305.08783	4.6
319.09137	0.2
323.09753	1.8
335.12830	1.1
361.11444	0.9
379.12296	1.2
397.13464	95.9
398.13788	6.1
415.14539	33.3
416.15024	2.0
653.37604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33936	0.3
56.81808	0.3
61.98824	0.7
68.87741	0.3
78.95902	100.0
88.64772	0.3
96.96950	0.6
130.02567	0.3
140.31360	0.4
149.00079	4.8
152.99554	0.5
155.17610	0.3
158.09496	0.3
184.84671	0.3
205.15941	2.8
249.09041	0.4
255.23227	0.7
276.02295	0.3
285.12634	3.9
305.37704	0.3
355.16913	2.5
385.17761	1.0
417.12048	0.7
447.13318	6.2
448.13837	0.5
611.73767	0.4
653.30054	57.5
654.20038	0.6
654.30420	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	653.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.47530	0.5
61.98822	0.7
65.00326	1.1
67.16211	0.4
71.01382	1.5
71.52261	0.6
78.95869	0.5
81.03432	0.7
83.01401	2.0
85.02959	1.3
91.55114	0.4
93.03449	1.1
97.02975	0.7
99.00880	1.3
109.02946	4.3
111.00872	1.9
113.02451	0.8
115.00356	0.4
119.05025	32.3
120.05342	1.2
121.02952	1.2
123.00796	0.5
124.01698	0.5
125.02473	1.2
133.02922	1.2
135.00853	0.8
135.04520	1.3
136.98807	2.4
137.02437	4.6
139.00375	1.2
139.04001	0.8
141.01959	2.5
145.02908	1.3
151.00340	0.7
151.04004	0.9
153.01935	35.8
154.02275	0.8
161.02441	2.8
162.02783	1.0
163.04007	30.8
164.04314	1.0
165.01901	4.4
166.02692	1.9
167.03450	1.7
171.00642	0.7
175.02524	0.5
177.01906	0.7
179.03484	1.8
181.01419	74.1
182.02194	23.9
183.02974	43.9
183.05342	0.6
184.03287	1.3
195.03024	1.5
207.03035	2.8
211.07692	1.1
213.08026	0.5
223.02525	1.0
224.03166	0.5
225.04033	1.4
227.07193	0.7
234.01727	0.6
234.49136	0.5
241.08737	0.6
245.04498	0.5
249.03928	1.1
265.08463	0.5
285.03839	2.6
327.07187	100.0
328.07440	5.9
329.09647	0.6
344.03336	0.5
344.07278	3.3
345.08228	15.5
346.08435	1.3
369.08316	1.3
387.09177	0.6
397.07950	0.7
461.07236	1.2
489.12451	1.5
491.11731	4.0
504.00305	0.5
507.13535	46.8
508.13788	4.5
555.63794	0.6
653.17169	3.4
653.34338	0.8
659.59595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48205	0.5
59.01372	0.5
61.98823	1.1
63.37672	0.4
68.99800	0.5
69.03446	1.6
69.66208	0.4
69.84815	1.9
71.01375	1.2
75.00887	0.6
77.03988	0.8
77.97807	0.6
81.03459	0.9
83.01392	2.0
83.05029	0.6
85.02969	0.6
95.01356	0.9
95.04998	0.7
97.02927	0.9
98.19926	0.5
99.00883	1.9
109.02934	0.7
110.00112	1.4
111.00887	3.4
111.04510	0.6
111.18744	0.5
121.02988	2.2
123.00915	0.7
125.02450	1.0
137.02452	9.1
137.99597	0.4
138.02699	0.4
139.00357	3.9
139.03981	1.3
140.01118	1.3
141.01949	4.8
143.17639	0.5
151.04005	0.8
153.01912	6.5
153.77437	0.4
163.04024	0.5
165.01897	10.1
165.99075	4.0
166.02670	1.2
166.99812	1.9
167.03513	1.3
177.01971	0.5
181.01424	10.1
182.02197	100.0
183.02965	88.1
184.03358	2.6
189.13661	0.5
193.05086	0.7
194.02168	1.4
195.03000	2.5
197.11757	0.7
207.02916	0.8
209.11763	1.1
211.13370	1.5
223.13354	0.7
224.82903	0.5
225.04013	0.7
327.07101	1.3
345.08316	0.8
539.21277	1.6
544.17621	0.5
555.20667	2.0
556.21210	0.6
572.24103	2.9
635.27002	2.4
653.28101	85.6
654.28326	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	653.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20010	0.5
59.01376	1.4
61.98838	0.9
64.99988	0.5
65.00327	1.0
67.01917	0.6
69.03452	0.5
71.01370	0.9
71.52212	0.6
71.52557	0.7
73.15942	0.4
75.35792	0.5
81.03457	0.5
81.55245	0.5
83.01371	3.3
85.02991	0.5
93.03453	1.4
95.04932	0.6
97.02943	0.6
99.00870	0.8
101.02468	0.6
109.02977	3.0
111.00883	1.4
117.03450	0.5
119.05034	5.3
121.02959	1.7
123.00897	0.5
123.04532	2.2
125.02437	0.8
133.02960	3.5
135.00903	0.6
135.04518	1.6
136.98798	1.2
137.02438	6.9
139.00389	0.7
139.04034	0.7
140.01122	0.5
141.01906	2.2
145.01379	1.2
145.02960	1.1
151.03992	0.9
153.01932	22.0
154.02213	0.6
155.03574	0.8
161.02414	6.9
163.04013	5.0
165.01947	5.7
165.99077	0.8
166.02716	0.7
167.03520	0.9
177.01964	0.8
179.03491	1.5
179.27727	0.5
181.01424	53.6
182.02205	36.3
183.02972	80.8
184.03349	2.6
186.01624	0.6
194.02251	0.7
195.02928	2.8
206.02220	1.1
207.02959	2.3
209.04610	0.5
225.04015	1.8
234.01656	1.2
235.02505	0.9
269.04553	1.3
286.43210	0.5
327.07199	20.1
328.07550	1.5
344.07483	5.4
345.08240	41.0
346.08594	2.7
369.08267	1.1
397.07468	0.7
431.09811	1.3
491.12006	2.0
507.13516	100.0
508.13907	8.7
653.22302	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	653.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54075	1.1
58.76067	1.0
58.76575	1.1
59.01368	2.0
61.98815	4.2
71.01390	3.1
71.52425	1.0
71.52818	1.5
74.02469	1.4
78.30661	1.1
83.01407	4.0
87.00791	1.1
88.98801	4.7
93.03421	1.4
96.95976	1.1
99.00909	1.2
109.02928	2.8
116.92841	1.2
119.05016	3.6
124.18557	1.0
128.03516	2.2
133.02942	3.2
135.04495	3.6
136.05302	7.5
137.02428	4.7
138.03224	2.1
141.01953	1.4
146.04453	1.6
149.06134	1.8
150.03201	2.0
153.01883	5.5
161.02437	8.4
163.03986	2.3
165.01915	11.7
166.02611	4.0
170.02121	1.3
171.10222	2.6
179.03426	1.8
181.01418	5.8
182.02184	20.9
183.02989	19.4
184.03329	1.8
191.03474	1.9
193.01465	1.2
194.02162	5.5
205.01486	2.5
206.02267	2.3
207.02925	2.1
219.03099	1.6
225.77536	1.0
226.01204	1.9
229.05029	5.0
233.00909	4.8
234.01674	29.7
235.02391	12.3
253.09285	1.4
257.04465	2.3
259.05984	2.7
300.06332	6.4
303.07159	1.5
306.07791	1.7
327.04724	9.0
328.05859	38.0
329.06592	20.1
345.08392	21.0
346.08490	1.6
379.06790	6.4
397.07718	20.8
398.08127	1.6
473.09784	1.4
489.10428	1.8
491.11951	100.0
491.29797	3.5
492.12195	8.5
507.11462	47.5
508.11469	5.0
615.28711	1.2
635.31592	2.0
653.14594	1.8
653.35571	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	653.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
59.01370	2.7
61.29909	0.6
61.98825	1.6
71.01383	3.5
71.52282	0.8
73.85922	0.5
74.39965	0.7
76.57277	0.6
78.95893	3.9
83.01395	0.9
88.98838	1.2
89.02426	1.7
91.57219	0.5
93.03453	2.6
94.12288	0.6
95.01392	0.8
96.96935	0.8
99.00893	0.8
101.02424	0.8
105.35874	0.6
109.02946	5.1
111.00848	1.3
113.02437	0.9
115.00348	1.8
117.03437	1.4
119.04987	3.5
121.02919	1.0
123.00896	5.5
125.02435	1.0
133.02962	1.8
135.04500	2.5
137.02431	1.0
138.42209	0.7
139.00368	1.7
141.01921	2.3
145.02919	3.7
147.04506	0.6
149.02402	0.8
150.03172	0.7
151.00360	9.0
152.01137	0.8
153.01907	2.3
159.04486	1.5
161.02428	4.2
163.00354	1.3
163.03987	3.6
165.01941	0.8
166.99834	1.0
171.00626	2.2
171.04353	0.8
175.02505	0.8
175.03915	0.8
176.37646	0.7
178.02637	1.0
179.03452	1.5
181.01419	2.6
182.02211	5.3
183.02959	6.1
187.04062	2.8
188.04755	0.8
190.02650	1.5
190.99849	20.9
191.03452	2.2
192.00624	12.2
193.01410	6.2
203.03494	1.6
205.01364	2.0
206.02161	2.6
211.07651	1.5
215.03528	1.2
216.04149	0.8
217.05043	21.3
227.07054	0.9
231.02966	3.7
233.00858	5.0
234.01683	52.0
235.02461	58.2
236.02780	2.0
243.02994	1.0
243.06810	0.6
244.03735	4.7
245.04529	47.4
246.04819	1.5
247.02444	1.3
259.02655	3.4
260.03229	2.8
261.04019	2.4
269.04379	0.7
285.04053	12.8
287.05524	3.5
289.62732	0.6
301.03503	0.9
306.07568	1.9
315.17914	1.1
327.07474	1.8
328.05835	2.0
329.06625	33.6
330.06958	1.1
345.06116	4.2
345.08444	2.3
346.08334	0.7
354.05640	1.1
379.06656	3.5
397.07715	44.9
398.08185	3.0
405.08218	6.8
407.09668	3.4
423.09302	4.2
489.10977	1.1
491.11920	100.0
492.12302	9.7
507.11420	28.5
508.11847	2.1
537.32800	14.0
543.11420	4.4
569.13843	0.7
638.13922	0.6
652.42657	0.8
653.16357	1.0
653.33948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58319	0.6
59.01381	2.4
59.16352	0.6
61.98831	4.6
63.02403	2.5
65.00320	5.8
67.01891	0.8
69.19701	6.2
71.01379	7.2
72.99313	1.2
74.02479	1.0
83.01378	5.7
83.96626	0.7
84.91161	0.6
85.02950	3.3
91.01907	0.8
93.03480	2.0
95.01403	1.0
99.00885	3.8
103.00403	1.3
107.01389	9.4
109.02943	4.7
113.02455	3.0
117.03487	0.9
119.05038	2.0
121.02945	8.5
123.04563	0.8
125.02469	0.9
128.03531	1.1
132.02190	2.2
133.02928	0.9
134.03729	8.7
135.00838	1.3
135.04561	1.1
137.02458	1.1
139.04027	1.0
143.04712	1.5
148.01697	0.9
149.02422	1.9
149.06097	1.5
150.03214	1.6
151.00359	39.6
152.00734	1.3
157.01453	1.0
159.03088	0.8
159.04483	0.8
160.00517	1.0
160.01680	12.1
161.02402	2.7
163.00392	4.0
163.04034	1.3
164.01138	1.2
165.01889	1.5
169.01448	2.5
171.04462	0.8
174.03239	0.8
175.02444	5.6
175.04002	17.2
176.04498	0.8
178.02664	1.2
178.99861	17.8
179.03433	1.2
182.02225	1.1
183.02942	1.6
183.04539	0.9
187.04002	1.1
190.99783	1.2
191.03513	1.4
192.00648	2.1
193.01434	1.6
193.05026	6.2
194.02142	0.8
199.03934	1.2
201.05586	1.5
203.03493	0.7
207.03001	1.1
211.04048	2.2
213.01865	0.9
216.04303	1.1
217.04927	1.3
218.99359	0.8
226.02644	0.7
227.03452	3.1
229.05046	2.4
233.00961	1.8
233.04636	0.7
234.01680	17.4
235.02446	19.9
243.02950	6.2
244.03676	1.3
245.04465	5.0
254.02202	0.7
255.02959	16.7
256.03400	1.2
257.04504	1.5
259.06030	1.5
271.02460	29.6
271.05438	1.6
272.03091	3.3
273.04001	3.0
283.02390	4.0
299.01901	5.9
300.02719	46.9
301.03491	100.0
302.03842	6.6
306.07516	3.1
312.21497	0.6
327.05060	1.1
328.05872	1.9
329.06641	7.3
343.04526	0.7
345.08130	1.0
351.07272	6.9
397.07724	16.1
398.08075	0.9
459.05667	81.2
460.05954	7.6
477.06842	1.7
489.10236	3.7
491.11920	23.5
492.12079	2.4
507.11432	16.1
653.11414	30.2
654.11932	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	651.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04315	0.3
55.01868	0.6
55.20016	0.3
55.30188	0.3
58.00577	1.1
59.01377	27.2
67.76297	0.3
68.41367	0.3
69.52303	0.5
69.52618	2.1
71.01380	15.9
72.99315	1.7
73.02933	0.7
83.01399	0.5
85.02957	3.3
87.00864	0.9
89.02443	21.2
95.01385	1.3
97.02966	0.3
101.02441	12.1
113.02446	7.4
119.03499	8.9
119.04829	0.4
129.05556	0.8
130.56265	0.3
131.03461	0.8
133.03033	0.7
135.04527	0.4
139.04013	1.7
143.03444	0.7
149.04503	0.4
153.01935	0.6
161.02443	3.6
161.04507	0.8
179.03481	0.4
179.05585	0.7
263.77441	0.3
298.82449	0.3
309.11887	100.0
310.12277	4.3
341.08878	1.3
345.08307	1.1
393.67520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01380	2.6
59.58482	0.4
63.02410	3.2
65.00326	5.6
68.99805	0.7
69.17333	0.4
69.34327	1.9
69.34748	1.7
71.01385	8.1
75.13486	0.4
82.19894	0.4
83.01389	4.6
83.96815	0.4
85.02948	2.9
93.03468	1.4
95.01393	1.4
99.00882	4.0
103.00372	1.3
107.01388	10.0
108.02200	0.8
109.02934	3.7
113.02459	3.7
115.00395	0.7
117.03491	0.6
119.01399	0.7
121.02961	7.9
124.01695	0.6
125.02435	0.7
126.78828	0.4
132.02141	2.7
134.03734	9.0
135.00900	1.1
137.02470	0.4
139.04045	0.8
146.03682	0.5
147.04579	0.5
148.01682	0.5
149.02449	1.8
149.06020	0.9
151.00365	38.9
152.00673	1.1
157.00220	0.5
157.01440	1.2
159.03012	1.1
159.04503	1.0
160.01646	13.1
161.02373	1.6
162.03044	0.5
163.00389	3.7
164.01178	0.9
169.01427	1.3
173.05995	0.7
175.02469	4.9
175.04008	16.6
176.04503	0.7
177.22420	0.5
178.98248	1.0
178.99850	19.1
180.00238	0.7
182.02248	1.0
183.03017	1.0
183.04555	1.2
185.06017	0.5
187.03989	1.1
188.04802	0.6
192.00635	0.8
193.01399	0.6
193.05031	6.1
199.03987	1.0
201.01933	0.7
201.05545	1.0
203.03531	1.0
211.04062	2.1
215.03519	0.6
217.05046	0.6
226.02692	0.6
227.03473	3.1
229.05072	1.9
234.01704	0.5
243.02963	5.9
245.04533	3.4
254.02177	1.4
255.02960	18.0
256.03473	1.4
257.04395	0.9
259.02350	0.5
259.05945	1.0
271.02466	29.3
272.03012	2.5
273.04034	2.8
283.02411	2.5
299.01993	5.2
300.02728	48.2
301.03503	100.0
302.03864	5.8
345.08377	1.2
351.07227	7.4
352.07700	0.6
459.05670	75.3
460.06024	6.8
477.06732	1.3
491.12161	0.6
653.11407	28.4
654.11731	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	650.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07541	1.4
61.91744	1.4
61.98825	9.8
65.20329	1.2
65.60834	1.4
69.03464	1.9
70.99754	2.9
71.01376	1.9
75.68569	1.3
83.01377	1.6
99.00887	1.7
107.65549	1.4
110.00130	1.4
111.00916	2.0
114.76453	1.4
121.02935	1.6
132.89804	1.4
137.02440	7.2
139.00372	2.7
141.01941	3.9
151.03984	2.7
153.01953	4.3
165.01939	11.3
165.98991	3.1
167.03476	2.3
171.10251	3.0
181.01448	8.8
182.02200	100.0
183.02974	96.5
184.03380	2.7
195.03040	1.7
209.11813	6.3
211.13405	1.5
555.20782	39.3
556.20929	4.4
561.79370	1.4
587.23425	88.7
588.23785	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	647.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.55581	0.6
58.00598	1.3
59.01377	30.0
59.58863	0.5
59.88887	0.5
71.01382	19.5
72.99312	1.3
75.00909	0.6
83.01395	0.8
85.02951	3.9
87.00870	0.9
88.31371	0.5
89.02441	23.8
95.01382	1.3
98.19946	1.3
101.02437	13.0
101.03098	0.8
113.02453	8.5
119.03486	9.5
131.03462	1.0
143.03418	0.6
149.04524	0.6
161.02403	1.0
161.04625	0.6
179.03487	1.5
184.39273	0.5
203.03407	0.6
243.93362	0.6
323.13446	100.0
324.13861	5.6
383.06042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85379	0.3
55.28853	0.3
61.98826	100.0
71.53041	0.4
97.68310	0.3
145.02959	0.6
150.79594	0.3
214.60793	0.3
241.74063	0.2
285.14584	0.3
420.92908	0.3
433.71063	0.3
445.75964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.0
59.01369	1.5
61.03639	0.6
69.03469	0.9
69.54960	1.2
69.55370	2.7
71.01383	1.2
83.01381	3.5
85.02947	0.9
93.03459	1.5
95.01389	1.1
97.02937	1.3
99.00885	1.2
101.02380	0.7
103.81381	0.5
109.02906	1.5
111.00873	2.6
121.02931	2.9
124.01639	0.8
125.02441	42.9
126.02765	1.0
133.02971	0.8
136.98802	0.7
137.02454	6.7
138.03165	0.7
139.00340	1.3
139.04016	2.1
140.01180	1.0
141.01924	6.0
147.04466	0.8
149.02411	3.5
151.04047	1.2
153.01920	6.1
154.02373	0.7
161.02469	1.1
165.01929	8.8
165.99023	1.5
166.02606	1.2
166.99850	1.3
167.03450	3.1
173.02388	0.7
177.01920	46.1
178.02310	1.8
181.01411	8.5
182.02199	79.4
183.02966	74.9
184.03268	3.2
187.03944	0.7
189.05545	0.9
190.02725	1.2
191.03439	1.8
193.01382	1.8
194.02185	1.1
195.03070	3.5
195.04478	0.6
199.68571	0.6
203.03355	1.0
207.03061	0.8
208.03731	1.5
215.03668	0.6
217.04974	1.0
219.02934	1.4
221.00774	1.4
222.01678	1.5
223.02501	0.7
225.04108	0.8
231.03015	0.9
232.03732	5.6
233.04530	5.0
234.01563	0.7
235.02420	0.7
256.03720	1.0
257.04538	0.8
261.03986	1.2
271.02689	0.7
273.03937	1.3
274.04745	5.9
274.89267	0.6
275.05573	2.4
285.00290	1.1
300.02695	9.6
301.03543	2.2
303.04974	10.3
318.03720	1.9
319.04361	0.9
345.08228	100.0
346.08685	6.7
395.09592	3.9
396.09967	0.7
397.07703	2.7
400.19684	0.6
437.10965	4.9
463.08789	8.7
466.04190	0.7
481.09830	46.1
482.10223	5.2
523.10822	3.6
524.11725	0.8
649.14075	7.0
650.14001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05842	0.3
59.01368	0.4
61.98830	13.0
69.03451	1.4
69.91115	1.6
71.01391	0.5
77.03986	0.9
81.03452	0.7
83.01385	1.9
83.05001	0.3
93.03477	0.5
96.12512	0.3
96.99322	0.4
97.02946	1.2
99.00893	1.1
99.39495	0.4
109.02970	0.6
110.00096	0.9
111.00888	2.7
121.02931	1.7
123.00768	0.3
125.02471	0.8
136.98816	0.5
137.02457	6.6
139.00371	3.2
139.03981	1.0
140.01160	1.2
141.01936	2.9
151.03978	0.9
153.01939	4.1
165.01921	9.1
165.99104	2.9
166.02686	0.5
166.99847	1.4
179.03546	0.6
181.01424	8.6
182.02206	100.0
183.02972	75.4
184.03299	3.1
194.02109	0.7
195.03093	1.8
207.02988	0.5
225.04002	0.4
255.23267	1.2
327.07187	0.9
345.08310	0.6
583.31213	99.9
584.31592	13.8
584.41083	0.6
613.16711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
57.36367	0.6
58.33640	0.6
59.01383	5.5
63.30513	0.6
71.01382	2.7
71.51414	1.3
81.03470	0.9
83.01369	1.2
89.02436	2.3
97.02954	1.0
101.02461	0.8
108.02216	0.7
108.28545	0.6
109.02958	3.2
111.04533	1.0
113.02436	1.3
119.04997	0.8
123.00860	1.3
123.04460	0.9
125.02451	21.4
132.02187	0.6
133.02954	24.2
135.04517	22.8
136.04819	1.0
137.02443	7.7
138.03191	0.7
139.03989	4.0
147.04391	0.7
148.05212	1.2
149.06088	4.1
153.01927	4.6
159.04495	0.8
161.02438	100.0
162.02777	3.4
164.01183	2.0
165.01903	5.9
166.02652	0.8
167.03467	5.3
175.04025	5.5
177.05577	6.2
179.03499	32.9
180.03845	1.4
189.05510	0.6
191.07129	0.8
203.03497	35.6
204.03978	1.9
219.06531	4.2
221.04544	6.2
239.58920	0.7
261.07578	0.8
281.06516	1.6
305.06656	38.9
306.06995	1.9
323.13376	0.8
339.07367	0.8
341.08743	58.9
342.09100	4.0
656.29633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
69.03462	0.5
69.27806	3.6
73.02430	0.3
78.41663	0.4
81.03461	2.5
81.15096	0.4
83.01374	3.0
93.03474	1.9
95.01392	0.7
95.05013	2.4
97.02946	6.2
106.04104	0.4
108.02172	1.2
109.02949	23.9
110.03339	0.5
111.04494	0.7
119.05016	1.1
121.02965	3.4
122.03712	1.1
123.00862	0.4
123.03615	0.8
123.04520	14.4
124.04813	0.5
125.02444	16.2
133.02953	0.5
134.03738	2.8
135.04535	2.4
137.02431	9.3
138.03230	0.7
139.04005	4.4
145.02948	1.5
146.03690	1.1
147.04547	0.7
149.02437	3.9
149.06030	1.2
150.03221	1.0
151.00339	0.5
151.03996	8.6
159.04488	3.0
160.05281	1.4
161.02419	1.0
161.06068	5.8
162.03200	1.5
163.03976	2.1
163.75517	0.4
164.01166	3.6
165.01913	3.5
166.02716	0.8
167.03545	2.5
173.06102	0.9
174.03256	0.6
175.03984	2.9
175.07616	1.6
177.01959	0.4
177.05527	0.8
178.02702	1.6
179.03505	5.9
185.06056	1.2
187.04021	4.8
188.04785	3.7
191.05559	0.5
193.05028	5.6
199.07594	0.5
201.05527	0.9
202.06335	1.8
203.03319	0.5
203.07132	12.9
204.07417	0.9
205.05049	6.5
212.04785	0.5
217.05177	0.5
217.08676	1.0
221.08151	3.8
222.08542	0.4
227.07117	2.0
230.05803	1.0
243.06587	0.6
245.08163	17.8
246.08466	0.9
247.06125	1.3
271.06085	0.9
289.07159	100.0
290.07498	6.8
337.09375	0.9
341.09058	0.4
355.10355	1.1
404.39868	0.4
540.25183	0.4
562.69336	0.4
609.14514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
60.23780	0.7
61.98835	1.5
68.99554	0.9
69.03459	1.1
71.01375	1.2
71.29095	1.3
79.01883	1.9
81.03461	1.5
83.01372	10.3
85.02945	1.2
93.03433	1.5
95.01373	1.3
95.05013	1.1
97.02941	2.5
99.00884	1.8
103.84660	0.6
108.02169	0.8
109.02949	4.6
111.00873	1.8
119.05000	0.7
121.02952	1.5
123.00875	0.9
123.04505	4.3
125.02477	4.5
135.04504	0.7
137.02451	12.8
138.03224	16.7
139.00365	1.3
139.03987	4.9
140.01144	1.2
141.01907	4.1
147.04529	0.7
149.02434	6.3
151.00369	1.2
151.04001	5.0
153.01912	4.9
154.99896	5.7
157.07713	1.0
161.02461	1.4
161.06079	1.1
163.04033	0.9
164.01086	1.0
165.01932	6.0
165.99136	1.1
166.02710	8.2
167.03491	14.9
170.02203	8.3
177.01888	1.6
178.02742	1.0
179.03439	1.7
181.01395	5.2
181.99872	1.0
182.02197	72.1
183.02969	74.7
184.03270	1.4
191.03464	1.3
194.02196	25.9
195.02969	14.1
196.03462	0.9
203.07092	1.9
205.05048	0.9
207.03058	1.3
207.05078	1.5
213.05533	1.7
215.07224	4.7
225.04143	1.1
230.22020	0.8
245.08136	2.1
257.08289	1.5
289.07153	7.1
301.04077	1.0
301.07224	10.0
303.07214	1.1
315.07095	1.1
333.06033	1.0
345.08228	100.0
346.08615	4.2
357.08249	54.0
358.08591	3.2
426.15076	1.4
427.15085	1.2
485.10547	1.3
495.11554	4.9
633.89954	0.7
647.16095	59.0
648.16388	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	647.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94675	0.5
52.81888	0.6
56.20777	0.6
59.01197	0.7
59.01461	1.8
69.03502	0.8
71.01460	0.9
71.51765	0.6
71.52125	1.0
74.86617	0.5
77.04029	0.6
79.01974	1.2
80.23269	0.5
81.03554	1.0
83.01492	3.3
83.39622	0.6
85.03036	0.8
93.03524	1.3
95.03114	0.6
95.05103	1.3
96.96120	4.4
97.03057	2.2
99.00943	1.2
101.02534	0.8
109.02954	9.2
111.00994	1.0
117.48262	0.7
119.05086	0.8
120.44141	0.7
121.03073	1.7
122.03840	1.0
123.00951	0.9
123.04544	6.7
125.02442	5.2
135.04611	1.2
137.02440	12.3
138.03242	12.6
139.00504	0.8
139.04030	5.3
140.01277	0.9
141.01918	4.1
146.03734	0.6
149.02444	7.0
151.00409	1.3
151.04008	7.0
152.01244	1.1
153.01913	4.8
161.02586	1.2
161.06157	1.0
163.04112	1.5
164.01279	1.3
165.01926	6.7
165.99118	1.0
166.02704	6.0
166.99968	1.0
167.03490	10.0
170.02187	5.1
175.04066	1.0
177.01988	1.7
179.03596	2.5
181.01425	6.2
182.02211	53.6
183.02980	56.1
184.03391	1.8
187.04105	0.9
188.04974	0.6
191.03638	1.2
194.02219	17.6
195.02969	9.1
197.06244	0.6
203.07207	2.9
205.05107	1.3
207.03154	0.9
207.05234	0.6
213.05679	1.1
215.07159	5.8
221.08264	0.8
227.07173	0.9
245.08223	2.4
257.08279	1.9
289.07172	10.6
290.07516	0.6
294.87451	0.6
301.03772	0.9
301.07178	14.7
302.07520	0.8
303.07654	0.7
315.07184	0.8
331.08334	2.2
345.08243	100.0
346.08545	4.9
357.08243	46.6
358.08609	2.4
397.69083	0.6
465.55881	0.6
485.10733	0.9
495.11124	3.1
587.71558	0.8
647.15741	22.0
648.16217	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	642.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98829	22.3
69.72077	1.0
69.72485	0.9
71.01392	1.1
81.72535	0.3
85.02951	0.9
89.02441	0.6
96.96052	0.3
98.20616	0.8
99.00882	0.6
99.92579	1.0
100.92613	0.4
101.02435	0.6
113.02467	0.6
116.92857	10.4
117.03455	1.0
117.92880	4.5
118.92671	0.6
123.04555	0.4
125.02454	0.5
129.01933	0.8
129.82904	0.3
132.02159	1.2
133.02954	24.0
134.03694	1.3
135.04518	16.0
136.04868	0.4
137.02414	1.2
138.21944	0.3
149.06055	0.8
151.04047	0.4
161.02435	100.0
162.02762	3.3
163.04025	0.8
165.01897	0.3
175.02489	0.5
175.04027	0.5
179.03493	14.3
180.03722	0.4
182.02278	0.6
183.02942	0.8
191.03397	0.4
205.27158	0.4
219.02939	1.4
221.04456	0.4
235.06104	0.4
259.06223	0.7
260.06396	0.4
287.05566	0.6
306.07578	0.4
323.07556	0.7
339.07187	1.4
345.08124	0.4
360.08441	0.6
361.08942	0.7
523.14551	1.4
524.14923	2.3
579.28064	85.3
580.28381	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	644.292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	35.9
68.19257	1.8
69.03448	2.6
69.37776	9.0
69.38201	5.7
71.01390	2.0
78.95904	4.0
79.98355	2.0
83.01347	1.9
84.07416	1.7
93.03420	2.1
99.00809	2.1
111.00842	2.5
121.02890	1.9
126.12134	2.0
137.02402	5.9
139.00381	2.1
141.01942	2.8
153.01910	5.3
165.01886	7.0
181.01382	6.8
182.02190	86.1
183.02985	74.2
580.55334	2.2
581.29596	100.0
582.29901	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	641.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52994	1.7
58.08906	1.4
64.42411	1.4
94.65552	1.4
98.19908	4.7
120.17102	1.4
121.02960	1.9
137.02437	7.2
139.00320	3.0
141.01866	2.4
152.99542	2.0
153.01875	4.1
165.01863	8.2
165.99022	2.5
181.01488	7.0
182.02200	88.8
183.02966	73.2
184.03380	2.8
188.09630	1.5
281.98303	1.6
389.58096	1.8
581.71057	1.9
605.29651	100.0
606.29913	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	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59501	0.1
57.03428	0.1
59.01374	1.3
69.03449	0.4
70.00983	0.4
71.01377	1.4
73.02940	0.4
81.03418	0.1
81.54330	0.1
83.05021	0.2
85.02958	0.3
86.87088	0.1
87.00870	0.3
89.02442	1.0
101.02442	1.3
105.07159	0.1
113.02414	0.6
115.00344	0.1
119.03468	0.2
125.02418	0.2
143.03453	0.2
145.05045	0.3
161.04539	0.6
165.12845	0.2
167.10799	0.2
167.14377	0.4
172.97652	0.1
179.05592	0.3
183.13890	6.2
184.14259	0.3
193.12343	1.7
211.13373	100.0
212.13719	5.0
212.15831	0.1
213.61417	0.1
235.08185	1.5
253.09262	3.9
297.44687	0.1
339.06100	0.1
387.25327	0.6
395.12878	0.1
405.26431	0.3
429.21304	0.7
447.22296	5.9
448.22919	0.6
529.86938	0.1
623.34253	1.2
624.35046	0.1
641.35217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98828	100.0
71.01385	0.6
71.53105	0.7
80.66337	0.4
89.02422	0.5
93.03461	0.6
99.00826	0.5
107.01400	1.1
119.05054	0.7
135.00871	0.6
143.05052	0.7
145.02953	1.2
151.00252	0.7
153.02011	0.6
159.04543	0.9
161.02460	1.0
163.00395	0.9
163.04041	0.7
165.02061	0.6
171.04564	0.6
182.02202	1.5
183.02991	2.0
185.06096	0.8
187.04074	0.8
197.06190	0.9
197.11824	0.5
209.11876	1.7
211.04108	0.9
211.13423	1.9
212.13763	0.8
213.05733	0.9
227.03416	2.5
229.05025	5.5
239.03564	0.9
241.05156	0.8
255.02979	4.4
256.03757	0.8
257.04630	3.7
267.03152	0.5
284.03217	3.5
285.04028	54.2
286.04526	2.2
306.76321	0.5
335.52100	0.5
345.08508	1.8
347.59946	0.5
413.09100	0.7
443.16000	0.6
577.13550	19.1
577.22797	1.9
578.14063	1.7
587.75708	0.5
640.36505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32479	0.5
59.01399	0.5
59.99378	0.4
61.98820	0.9
71.01376	11.7
71.52437	0.7
72.99303	1.9
83.01377	0.8
87.00874	0.7
87.99829	0.5
88.98807	1.1
89.02449	2.0
90.11449	0.4
101.02439	0.5
106.15132	0.5
109.02911	0.8
110.78090	0.6
111.00878	0.7
115.00372	32.4
121.02980	1.2
121.05817	0.5
128.03485	0.7
132.86783	2.2
133.01428	57.8
137.02426	2.1
139.00345	0.9
141.01936	1.3
142.07019	0.6
143.04669	0.6
145.02884	0.5
151.00368	0.5
153.01921	1.0
161.02460	0.6
165.01930	2.3
166.99919	0.5
167.03632	0.5
169.01379	0.6
178.99834	0.5
181.01350	2.9
182.02200	46.0
183.02974	51.9
184.03329	2.1
195.02991	1.6
197.04381	0.6
207.03102	0.5
207.05127	0.5
243.81082	0.5
285.04022	2.1
301.03406	1.1
345.08234	100.0
346.08612	5.8
382.19788	0.6
384.04883	1.0
443.06302	1.3
507.11569	1.3
531.11639	2.5
641.15582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42517	0.9
55.20070	1.1
57.03440	10.5
61.98832	17.2
70.01927	3.6
81.03454	1.7
82.25566	0.9
83.01386	4.7
93.03460	1.4
95.05021	2.7
97.02943	3.7
100.05441	1.1
108.02171	1.0
109.02946	20.4
121.02940	3.4
123.04531	14.7
125.02445	100.0
126.02741	2.9
133.02960	3.1
135.04475	1.6
137.02438	18.8
139.03981	4.3
146.03795	1.2
149.02408	6.0
151.03995	11.5
153.01880	2.2
159.04498	3.1
160.05313	1.3
161.02434	27.6
161.06036	3.5
162.03267	2.2
163.04007	4.2
164.01176	4.7
165.01901	5.5
167.03513	1.6
173.06049	1.2
174.03134	1.2
175.03961	9.3
175.07603	1.2
177.01968	7.2
177.05573	1.4
178.02737	1.1
179.03453	5.1
187.04027	8.1
188.04744	2.9
201.05615	2.0
202.06296	1.1
203.03471	1.8
203.07172	9.6
205.01460	1.5
205.05006	8.8
211.04008	1.5
213.05579	1.1
215.03575	1.6
217.05014	2.7
221.08197	2.4
227.03473	1.5
227.07161	1.8
228.04343	1.4
229.04980	3.7
231.02869	1.7
243.02893	3.3
243.06546	1.4
244.03461	1.2
245.04510	5.1
245.08163	14.1
246.08737	1.1
247.06053	1.5
253.05049	1.0
255.02957	7.8
256.03699	4.1
257.04358	2.7
269.04510	3.2
270.05231	1.1
273.04056	3.6
281.04517	3.6
283.02542	1.4
285.03983	3.2
287.05627	13.1
289.07184	60.1
290.07471	4.1
297.07605	1.4
299.05557	5.4
339.08731	4.1
340.09409	1.3
357.09589	1.2
381.09735	1.5
389.06696	1.3
407.07681	55.8
408.07932	4.3
425.08759	50.0
425.13864	1.0
426.08948	4.3
451.10345	20.2
452.10696	1.7
559.12000	1.9
577.13452	32.6
578.13696	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	639.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98830	6.2
63.81016	0.5
69.03443	1.4
71.01376	1.5
77.03957	1.8
77.39574	0.5
83.01357	2.8
93.03474	1.0
95.01392	1.1
97.02953	1.5
99.00883	1.8
99.04514	0.5
101.02502	0.7
109.02944	1.4
110.00121	1.4
111.00858	3.6
111.04463	1.1
113.02477	0.7
121.02978	2.7
123.00831	0.7
123.04470	0.7
128.03526	1.0
137.02446	6.9
139.00366	3.6
139.04016	1.2
140.01120	0.7
141.01929	4.2
143.04633	1.1
148.90536	0.6
151.04013	1.4
153.01895	6.5
165.01921	9.5
165.99086	3.2
166.02599	0.8
166.99857	1.4
167.03439	0.6
177.01970	0.6
181.01399	9.6
182.02196	100.0
183.02963	88.8
184.03302	2.7
194.02205	0.8
195.03011	2.1
205.46315	0.6
207.03026	0.7
209.11816	1.9
211.13353	2.2
225.04025	0.7
229.16776	0.8
277.21878	0.7
311.22058	0.7
327.07153	1.3
345.08142	0.7
414.81802	0.7
621.27490	0.8
638.80835	1.3
639.30127	97.2
640.30438	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	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75355	0.8
55.01878	1.3
57.03434	3.2
57.42311	0.6
58.00565	0.7
59.01374	24.6
61.98829	5.2
65.03963	2.8
70.66335	0.8
71.01012	1.3
71.01379	22.8
71.40799	1.1
71.41130	1.1
71.97891	0.8
72.99301	2.1
73.02946	6.0
78.95886	3.4
81.03436	2.0
83.01383	3.4
83.05018	9.6
85.02952	7.8
85.06572	3.0
86.00080	0.7
87.00878	9.5
89.02445	10.6
91.04031	0.8
91.05533	1.0
92.89005	0.7
93.03469	1.4
95.01351	1.5
95.05017	1.8
97.02949	1.5
97.06573	4.4
99.00869	1.5
101.02436	16.8
103.04013	1.1
103.79375	0.7
105.07050	0.9
106.04249	0.9
107.05002	1.8
107.08639	1.2
109.06593	3.2
111.00828	0.9
111.04528	1.8
111.07630	0.6
111.08164	7.2
111.84234	0.7
113.02441	8.1
115.04025	0.9
119.03485	1.7
119.04994	1.8
121.03007	0.8
121.06606	1.4
123.08137	2.3
125.02441	1.7
125.09708	13.2
127.11321	0.9
133.05008	1.2
133.06566	1.8
135.08148	1.4
137.09686	3.4
143.03453	1.1
145.05067	5.4
151.11272	1.1
152.99586	2.1
153.01945	0.8
161.02435	0.9
161.04535	5.9
163.11275	1.8
170.73964	0.8
171.10254	83.6
172.10701	3.5
177.12860	0.8
179.05615	2.1
182.02138	1.8
183.03029	1.3
183.13867	2.3
185.11809	2.2
187.14896	2.5
189.16412	1.6
201.12808	1.5
203.14386	1.3
205.15927	6.7
207.13766	1.4
209.09920	1.3
209.11830	16.6
211.13365	22.6
212.13741	0.9
213.12749	1.7
215.14389	8.3
221.15367	2.9
231.13861	7.8
233.15430	34.6
234.15694	2.0
235.08203	12.0
235.13242	1.4
237.14894	1.1
239.16434	1.1
247.13461	1.0
247.17059	1.4
249.14937	40.8
250.15266	3.2
251.16457	2.0
253.09288	9.1
257.17542	1.1
265.17883	1.0
277.44208	0.9
287.16373	1.1
313.25293	2.0
315.27023	0.8
323.23828	1.7
331.26376	3.4
332.26822	0.8
339.23123	0.9
341.24808	6.6
349.21954	1.0
357.24417	1.8
359.25897	3.0
367.22733	4.7
375.25427	5.8
376.26199	1.0
385.23798	31.2
386.23907	3.7
393.26483	1.7
403.24844	57.8
404.25156	5.6
407.19193	2.9
421.25922	16.6
422.26260	1.4
445.20880	0.8
467.22925	1.8
474.72986	0.8
485.23941	5.0
575.25885	1.8
603.31927	1.1
607.28589	1.0
611.34607	4.7
621.32739	100.0
622.33069	15.6
639.33789	94.1
640.34137	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	639.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.6
59.01379	44.1
61.98830	3.6
67.38330	1.5
71.01381	39.3
71.32818	1.6
72.99313	2.7
73.02928	1.8
77.81157	1.7
78.95903	4.6
83.01388	3.8
85.02950	6.1
87.00893	9.7
89.02441	48.3
98.20765	3.1
101.02448	22.7
113.02429	18.5
119.03507	17.1
120.57608	1.6
131.03400	1.9
143.03494	5.5
149.04503	2.5
161.04550	7.2
179.05606	20.0
194.93796	2.7
206.37143	2.0
215.38998	1.5
226.34706	1.6
255.23280	100.0
256.23615	6.9
269.24899	6.9
279.23370	2.0
297.24268	5.0
318.36127	1.7
323.09775	32.0
341.10876	57.8
342.10947	2.0
343.01062	8.9
579.33752	34.1
580.34125	4.3
600.65991	1.7
612.42212	1.6
639.27460	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	640.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.8
59.01374	2.9
60.99289	3.6
61.98834	12.9
71.01405	2.0
71.51495	3.8
75.13466	2.0
75.44120	2.0
81.03450	3.5
83.01400	6.5
88.98808	6.8
89.02413	2.4
95.01350	2.2
95.05033	2.1
97.02962	4.1
102.76941	2.0
109.02946	23.4
121.02916	4.7
123.04509	13.6
125.01521	4.8
125.02443	100.0
133.02943	3.9
135.04539	2.6
137.02443	24.0
139.04007	3.2
149.02409	6.6
151.00285	3.3
151.03981	13.0
159.04512	4.0
161.02434	30.5
161.06100	6.9
163.00377	2.2
163.04007	3.9
164.01245	2.1
165.01906	5.4
171.95235	2.1
175.03973	10.6
177.01933	4.4
178.99858	2.8
179.03479	5.3
182.02238	2.5
187.03990	9.3
188.04761	2.3
200.77350	2.0
201.05527	3.9
203.07101	10.6
205.01447	2.6
205.05048	9.1
211.04085	2.4
215.03494	2.9
221.08231	1.9
229.05113	6.4
245.04451	4.7
245.08148	16.1
255.02954	8.5
256.03769	7.2
257.04630	4.7
269.04492	3.0
273.04108	6.0
279.08755	9.5
280.09015	7.2
281.04526	4.7
283.02542	2.1
285.03976	4.1
287.05606	15.0
289.07166	66.4
290.07480	4.1
297.03848	2.3
297.09872	7.7
298.10178	7.7
299.05624	4.4
301.03494	8.6
302.03690	3.7
319.01474	2.2
339.08615	4.1
381.09836	3.4
407.07663	67.1
408.08075	6.7
425.08762	66.5
426.08948	6.4
451.10345	19.6
464.08997	4.9
478.06665	2.4
577.13385	35.3
578.13971	4.0
639.44342	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	639.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81878	1.1
54.97985	1.3
55.01879	1.2
57.03443	1.8
59.01377	28.1
61.98815	3.3
64.32636	1.2
69.03444	2.9
70.81823	2.9
71.01008	2.4
71.01377	33.0
71.05038	1.3
72.99316	7.4
73.02917	2.5
75.00475	2.3
75.00868	27.1
81.50082	1.0
83.01381	5.2
83.04993	1.5
85.02953	13.4
87.00871	29.0
87.16022	1.2
88.98833	2.6
89.02444	13.3
95.05003	1.9
97.02916	3.1
97.06567	1.4
99.00829	2.9
101.02428	13.2
105.01894	1.3
109.02940	4.3
111.04510	1.6
113.02458	7.6
115.00370	50.8
116.92802	1.4
119.03497	2.9
121.02882	2.3
123.04511	4.9
123.08164	1.4
125.02448	4.1
125.09686	2.3
127.03989	5.2
129.01942	2.0
135.02994	4.9
137.02443	1.9
139.04007	2.2
143.03497	2.1
145.10016	1.2
151.00316	6.4
151.11166	1.6
153.01933	1.2
161.02469	1.4
161.04482	2.2
161.09697	3.0
167.03479	1.8
169.04993	2.8
169.12335	4.3
171.10263	33.8
175.02467	100.0
176.02823	3.1
178.99736	1.4
179.05574	1.8
179.10773	4.1
182.02222	2.1
183.02870	1.9
184.96420	1.3
193.12238	2.6
195.13945	2.6
197.11813	70.2
198.12114	2.4
202.02664	3.3
209.11798	1.3
211.13329	2.6
221.11775	3.3
223.13359	2.3
223.68973	1.3
235.08150	1.6
235.13504	2.0
237.14897	1.3
239.12822	5.4
241.10799	7.4
241.14517	3.8
245.11729	2.7
253.09174	9.3
261.07553	2.0
263.12805	3.6
281.13965	1.5
285.13416	20.8
289.07068	2.6
301.03552	13.9
302.03729	1.6
345.08011	2.2
365.08655	3.9
407.19174	3.6
431.66504	1.4
477.06561	4.8
494.22128	1.4
499.21680	1.6
519.20526	7.2
521.22333	66.5
522.22791	5.3
533.22253	2.0
543.20630	3.4
551.23517	2.2
561.21808	8.4
577.07855	2.4
579.22571	5.6
621.24182	1.3
639.25012	88.7
640.25244	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	639.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98823	1.3
67.01875	0.8
69.03434	2.0
71.01366	1.1
71.51035	1.0
77.03951	1.4
82.40686	0.8
83.01363	2.8
94.67319	0.9
95.01433	1.0
97.02920	2.4
97.89359	0.8
99.00845	1.6
109.02925	1.1
110.00056	1.5
111.00862	3.6
121.02946	2.2
137.02438	8.1
139.00331	3.6
140.01146	1.8
141.01955	4.2
153.01912	6.1
165.01921	10.0
165.99033	3.7
166.60260	0.7
166.87784	0.8
166.99814	2.1
167.03560	1.1
181.01398	8.9
182.02196	98.9
183.02962	90.5
184.03314	1.9
194.02078	0.9
195.02861	1.9
195.71359	0.9
207.02953	0.9
209.11682	2.3
211.13318	1.3
225.04115	0.9
256.26807	0.8
327.07071	2.3
341.11563	0.8
537.40155	0.9
539.21313	0.9
635.59454	0.9
639.30115	100.0
640.30292	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	639.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17519	0.7
53.27549	0.6
59.01369	2.2
60.34296	0.5
61.98830	11.2
63.74430	0.6
67.90308	0.6
70.66583	1.2
70.66901	0.8
83.01372	5.2
83.05004	0.6
85.02944	0.9
89.02438	1.0
93.03452	1.7
94.98058	0.8
101.02443	0.8
113.02409	0.8
123.32504	0.8
137.02385	0.7
159.04510	0.7
161.02443	0.8
163.11296	0.9
171.10292	2.1
182.02200	1.5
183.02917	1.2
205.01390	1.1
209.11827	11.1
211.13353	10.2
229.04997	0.7
235.08157	1.5
241.05008	0.7
249.14925	1.3
253.09195	0.8
257.00647	0.7
257.04431	2.0
269.04550	1.1
271.02478	1.4
272.03207	1.1
285.00418	3.6
285.03949	1.6
286.01068	0.9
286.04572	0.7
287.01880	0.8
291.06488	0.8
295.06012	0.8
299.01959	1.5
300.02786	5.1
301.03421	2.0
313.03552	2.5
313.99603	0.7
314.04248	2.3
315.05249	0.8
327.05533	0.8
328.02298	5.1
328.05765	1.1
329.02997	6.9
330.03784	4.1
331.04614	1.0
337.07300	0.8
341.03278	0.7
342.03616	2.2
343.04462	4.3
345.08130	1.1
347.04196	1.1
353.06708	1.6
355.04517	4.5
356.05399	6.8
367.22726	1.0
385.23843	3.7
391.04416	1.5
403.08365	0.7
403.24844	4.4
405.06125	1.8
406.06812	4.3
407.07416	1.0
421.09128	1.1
431.07501	2.3
433.05545	2.0
434.06357	4.4
435.07159	0.9
449.08740	36.4
450.09195	4.6
493.07724	15.9
494.08173	1.1
621.32648	7.0
639.13501	100.0
639.34381	2.6
640.13885	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	639.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28310	1.0
59.01372	1.7
61.98826	5.3
64.41663	0.9
69.03540	1.1
71.22301	2.2
78.95891	4.4
83.01385	4.4
89.81467	1.1
93.03433	1.4
95.88888	0.9
96.95989	2.1
99.69098	0.9
104.79051	1.0
113.02410	1.4
125.56590	1.1
152.99588	3.3
161.02382	1.5
171.10229	2.7
183.14006	0.9
209.11778	8.3
211.13370	11.3
215.14474	1.1
233.15399	2.5
241.01514	1.3
242.05685	1.3
243.02991	1.2
249.14803	2.1
253.09180	1.4
257.04465	1.7
271.02524	1.2
272.03156	1.0
277.04919	1.3
285.00375	3.7
285.03809	1.9
299.01959	3.3
300.02792	5.0
301.03497	2.5
313.03516	2.8
314.04446	1.6
315.04971	2.2
328.02328	5.7
329.02969	8.9
330.03714	5.5
342.03851	2.4
343.04553	4.2
353.06613	2.7
355.04529	3.8
356.05328	6.8
385.23798	2.3
403.24786	1.8
405.05997	1.9
406.06863	5.9
407.07233	1.2
431.07703	2.7
433.05508	3.2
434.06241	4.9
449.08774	40.2
450.09064	4.2
493.07693	16.5
494.08109	1.5
508.06647	1.4
517.08508	1.0
575.26263	2.1
607.28827	2.3
620.31146	1.9
621.32513	8.3
639.13501	100.0
639.32886	4.8
640.13824	14.0
656.21790	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	639.135
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
59.01374	1.5
61.98831	2.6
63.02367	0.8
65.00310	1.9
71.52380	0.6
83.01377	2.4
85.02948	1.2
87.00867	0.8
88.98805	2.8
93.03468	0.7
93.52646	0.5
107.01399	3.9
108.02183	1.5
109.02920	2.1
111.00832	0.6
113.02431	0.9
116.92848	2.0
119.05057	2.8
121.02934	3.1
123.04465	1.1
124.36140	0.6
125.02439	2.4
128.03514	0.6
133.02957	3.7
134.03752	0.8
135.00847	0.7
135.04507	2.5
145.02943	2.1
148.01688	1.8
151.00352	12.0
151.03984	0.8
152.00641	0.6
153.01889	0.9
160.01688	1.1
161.02432	13.9
163.00313	2.3
163.03979	1.7
164.01212	0.8
165.01895	1.3
167.03491	2.1
169.01419	3.2
175.02556	1.0
175.04001	1.7
177.01884	0.8
177.05521	0.7
178.99849	6.4
179.03433	1.9
182.02179	1.1
183.02948	2.1
184.96080	0.6
184.98956	0.6
187.04024	1.1
193.01382	0.9
193.04845	0.5
199.03925	1.5
205.05038	0.7
207.02847	0.6
210.01682	0.9
211.02385	0.6
211.04132	1.1
212.11920	0.5
215.03503	0.8
219.03015	3.5
223.02403	1.0
223.67708	0.5
226.02739	1.0
227.03481	3.3
229.04959	1.0
243.02963	12.1
244.03290	0.9
245.04561	1.3
254.02242	2.9
255.02963	29.1
256.03384	2.6
271.02472	59.3
271.05911	3.7
272.02930	4.7
273.03983	1.7
283.02423	1.5
285.04147	0.7
285.07584	0.8
298.04684	0.6
299.01996	2.3
300.02722	100.0
301.03442	42.0
302.03995	1.5
307.08444	0.6
313.07166	17.0
314.04099	0.9
314.07379	0.6
315.05014	2.7
323.07697	1.6
337.05627	3.3
345.08139	1.3
385.07761	0.7
403.08945	2.3
414.28864	0.6
459.05798	3.8
463.08804	37.3
464.09039	3.0
475.12527	3.8
477.10382	2.5
487.58093	0.6
493.12234	1.1
512.52582	0.7
549.12262	0.6
639.13568	58.5
640.13867	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	639.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96387	0.3
57.03463	0.5
59.01373	2.6
61.98840	0.7
63.02405	1.1
64.27075	0.3
65.00323	2.1
67.01891	0.3
68.99809	0.5
69.43793	2.1
71.01014	0.3
71.01372	8.2
72.99329	0.8
73.02955	0.6
83.01395	1.7
85.02946	3.8
87.00901	0.8
88.98805	0.5
93.03472	0.9
95.01395	0.7
99.00904	1.7
99.92589	0.6
103.00411	1.1
107.01382	3.4
108.02219	0.6
109.02954	2.0
111.00926	0.3
113.02445	4.6
115.00363	1.9
116.92857	7.8
117.92919	0.6
119.05016	0.5
121.02959	2.9
123.04498	0.5
125.02422	0.5
132.02199	1.1
133.02954	24.4
134.03348	0.5
135.04524	10.6
147.04526	0.5
148.01721	0.6
149.02420	0.7
149.06071	0.4
151.00365	14.0
152.00746	0.4
157.01468	0.3
159.04565	0.4
160.01550	0.3
161.02434	100.0
162.02773	3.9
163.00369	1.2
163.03952	0.9
164.01141	0.4
165.01962	0.4
167.03506	0.6
169.01450	1.4
169.25398	0.3
173.06058	0.3
175.02454	3.7
175.03979	1.1
177.05534	0.6
178.99876	6.0
179.03477	5.4
180.50735	0.3
181.01460	0.3
183.02957	0.7
183.04442	0.4
187.03871	0.5
191.03534	0.5
193.01651	0.3
193.03447	0.6
199.03999	0.4
201.05530	0.9
203.03503	2.4
211.02293	0.4
211.04033	0.8
213.01959	0.4
215.03436	0.4
217.05016	0.6
219.02974	1.7
220.03552	0.3
223.02560	0.3
226.02586	0.5
227.03459	1.3
228.47728	0.4
229.05093	0.6
233.04521	0.4
240.02554	0.4
243.02931	2.3
245.04501	4.0
246.04843	0.3
254.02023	0.4
255.02969	8.2
257.04440	0.4
271.02460	11.2
271.05469	0.7
272.02954	1.1
273.03946	0.9
277.03378	0.4
283.02371	1.2
283.05539	0.3
284.03073	0.3
299.01929	1.5
300.02731	17.7
301.03497	33.4
302.03943	1.7
313.06992	1.0
337.05618	33.4
338.05988	2.2
345.08014	0.3
375.76147	0.3
403.08472	0.9
459.05658	19.5
460.06003	2.0
463.08887	1.8
475.11221	0.4
477.06549	5.0
493.11975	0.4
527.41309	0.4
639.09668	19.0
640.10120	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	639.1203
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.50075	0.4
52.65183	0.4
53.90447	0.3
59.01375	1.2
63.02402	0.8
65.00321	1.6
67.09948	0.4
68.01360	0.4
71.01357	2.3
75.74420	0.4
76.51994	0.4
76.68093	0.4
83.01398	1.3
85.02954	1.2
87.00856	0.5
89.02370	0.5
93.03461	1.0
95.01343	0.6
103.00364	0.5
107.01383	5.2
108.02210	0.4
109.02940	1.5
113.02441	1.7
117.71558	0.4
121.02949	3.4
123.04516	0.3
125.02455	0.8
135.00829	0.6
139.03975	0.6
149.02432	1.2
151.00368	16.9
163.00400	0.8
163.03961	0.4
164.01099	0.5
167.03505	2.7
175.00388	2.9
175.02440	1.2
178.99840	3.8
191.11185	0.4
192.00687	0.5
193.01414	0.8
201.05557	0.4
211.03958	0.9
213.01987	0.5
216.04253	0.4
226.02785	0.4
227.03413	0.7
229.05066	0.8
231.02937	0.4
242.27267	0.4
243.02974	1.5
245.04478	0.5
255.02919	3.0
257.04568	0.5
271.02499	3.3
272.03311	0.5
273.04004	1.1
283.02344	0.5
285.03922	0.5
299.02057	0.7
300.02725	10.0
301.03513	100.0
302.03928	5.3
313.03571	1.1
343.04648	1.9
419.71640	0.5
463.08795	59.3
464.09171	4.7
475.14218	0.5
477.06787	1.0
510.90707	0.5
535.08344	0.4
571.34247	0.5
600.42780	0.4
639.12012	18.7
640.12006	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	639.12
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03440	0.5
58.02972	0.3
59.01376	3.4
61.98830	0.4
63.02391	2.0
63.42229	0.3
65.00318	3.9
69.03442	0.3
69.55295	0.7
69.55699	1.5
71.01363	5.1
72.99313	0.4
73.02959	0.5
75.00859	1.1
83.01385	3.4
85.02939	4.3
87.00883	0.7
88.98752	0.3
89.02435	0.9
93.03455	0.6
94.78886	0.3
95.01374	1.3
96.94354	0.3
99.00874	1.4
102.73206	0.3
103.00356	1.2
107.01388	9.7
109.02944	1.0
113.02450	5.1
115.00346	0.4
117.01921	0.6
121.02943	7.6
121.03763	0.5
125.02422	0.7
143.00787	0.3
147.04523	0.4
149.02461	1.2
151.00360	39.4
152.00752	0.8
161.02434	0.4
161.61055	0.3
163.00331	0.9
163.04002	0.6
164.01138	0.9
165.07523	0.4
169.01453	1.3
175.02446	3.1
178.99849	17.9
180.00150	0.7
181.05135	0.4
183.03015	0.3
187.04039	0.4
192.00697	0.3
193.01358	1.0
206.08191	1.0
207.08531	0.8
209.04417	0.3
211.04044	0.8
218.30965	0.4
227.03433	0.6
229.05045	1.3
245.04509	1.0
255.02966	1.9
257.04523	0.9
271.02411	1.6
273.03992	2.3
283.02484	1.0
300.02731	9.4
301.03500	100.0
302.03873	5.7
343.04590	0.4
407.08304	0.4
459.05716	0.7
463.08786	18.9
464.09198	1.4
477.06717	25.2
478.06808	1.8
481.98618	0.3
519.07343	0.7
581.97467	0.3
639.11987	19.8
640.12445	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94319	1.4
61.98801	1.3
63.44821	1.2
70.05066	1.2
78.95894	16.6
80.35093	1.3
94.85537	1.3
125.09727	1.6
127.11323	1.9
146.08762	1.3
152.99580	19.1
171.00598	5.0
171.10260	78.9
202.90286	1.5
227.03369	2.3
255.23279	100.0
256.23599	6.9
275.55872	1.3
300.24521	1.4
307.09457	5.6
381.13101	2.6
399.14001	1.6
465.26129	2.4
480.94376	1.6
637.37201	74.2
638.37231	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	639.0985
Annotation	Quercetin 3-(2''-caffeylglucuronide)
Peak:m/z	Relative Intensity
50.59274	0.2
50.88150	0.3
55.40265	0.3
57.03450	0.6
59.01379	2.6
63.02390	1.1
64.59728	0.2
65.00333	1.5
69.47392	0.6
69.47794	1.1
71.01022	0.3
71.01368	6.9
72.99313	0.7
73.02940	0.4
82.63091	0.2
83.01378	1.3
84.02216	0.3
85.02946	4.5
85.39352	0.2
87.00906	0.5
88.98782	0.3
93.03461	0.5
93.74800	0.3
95.01373	0.6
99.00896	1.5
103.00359	1.1
107.01373	3.2
108.02181	0.3
109.02943	1.6
113.02449	5.0
115.00376	1.2
117.03493	0.5
121.02967	2.7
132.02168	1.5
133.02953	24.1
134.03282	0.7
135.00961	0.3
135.04523	10.2
136.04868	0.4
137.02437	0.7
139.04012	0.5
147.04507	0.5
149.02437	0.6
149.06047	0.5
151.00360	14.2
152.00699	0.4
157.01453	0.3
159.03078	0.4
159.04486	0.8
161.02432	100.0
162.02776	3.7
163.00339	1.1
163.03973	0.5
165.01860	0.3
169.01346	0.4
173.06042	0.4
174.03235	0.5
175.02455	4.2
175.03972	1.0
177.05534	0.7
178.99864	5.2
179.03470	4.7
183.04434	0.4
187.03955	0.5
189.05573	0.5
191.03563	0.4
193.03581	0.6
199.03923	0.7
201.05528	0.6
203.03488	2.3
211.04037	0.6
216.04236	0.3
217.05025	0.5
219.03014	1.6
227.03529	1.3
229.04987	0.8
233.04480	0.3
239.03381	0.3
243.02873	1.3
245.04536	3.4
255.02980	4.9
256.03586	0.4
257.04626	0.4
271.02444	8.8
272.02905	0.8
273.03970	0.9
277.03336	0.3
283.02454	1.1
299.01910	2.1
300.02737	13.3
301.03500	31.6
302.03906	1.7
316.02112	0.4
317.03012	0.9
337.05615	31.8
338.06073	1.8
406.82556	0.3
459.05658	19.6
460.05981	1.7
475.05133	0.5
477.06686	4.1
478.07202	0.5
621.08411	0.4
639.09821	21.9
640.10187	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37732	1.8
56.17463	1.4
59.01378	27.8
61.98820	5.7
62.61844	1.7
64.25148	2.0
69.03457	2.4
71.01382	61.8
71.52522	3.0
73.02931	5.1
81.03468	4.4
83.01379	3.3
83.05021	5.5
85.02937	5.4
87.00875	2.8
89.02428	9.2
96.96004	2.2
97.02949	8.2
97.06581	2.9
99.00890	2.3
101.02429	12.7
106.67808	1.6
109.06591	30.8
111.00893	2.3
113.02425	5.7
125.09708	6.8
135.08163	3.4
136.05232	1.6
141.01984	2.1
142.02664	2.0
153.01927	4.4
159.60620	1.7
161.04510	4.5
161.09657	2.4
163.11269	16.3
165.01903	3.1
171.10268	13.1
179.05688	1.6
181.12311	4.6
182.02202	26.8
183.02930	18.8
185.11815	4.6
187.14879	1.5
189.09100	2.4
199.09703	3.5
201.11317	7.2
207.10251	100.0
208.10550	5.1
209.04361	1.8
209.11800	7.5
211.13306	2.4
215.12738	2.3
225.11307	57.5
231.13882	6.4
235.08208	2.2
243.12315	4.4
253.09264	24.5
299.14999	2.5
307.05978	2.0
339.23212	3.0
383.22342	9.3
401.23169	9.0
419.24255	3.8
461.20276	23.4
462.20941	6.1
619.31158	39.2
620.31073	4.4
637.31018	28.3
638.29175	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	637.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03428	1.5
58.32413	0.3
59.01380	10.6
61.98820	1.7
65.03956	2.7
69.03451	2.1
71.01382	10.8
71.04993	0.4
72.99304	1.4
73.02951	2.4
81.03441	0.8
83.01370	1.6
83.05006	1.8
84.03762	0.3
85.02946	3.3
86.00068	0.5
87.00873	4.0
89.02438	4.0
91.05515	1.5
93.03453	1.0
95.01366	1.1
95.05011	1.2
97.02948	0.7
97.06585	2.8
99.00871	0.7
101.02438	7.7
103.05534	0.5
105.07072	0.7
107.05001	0.6
107.08609	0.4
109.06596	2.5
111.08155	0.9
113.02456	4.4
115.04031	0.6
115.05524	2.8
117.07091	0.6
119.03474	0.8
119.05030	0.7
123.08141	1.5
125.02436	0.8
125.09720	11.1
129.01941	0.5
133.06522	0.3
135.08156	1.7
143.03479	0.6
145.05077	2.4
157.10188	0.5
159.11713	0.4
161.04517	1.7
161.09709	0.6
163.11244	1.4
165.12628	0.4
171.10263	2.6
177.45897	0.4
179.05450	0.5
183.02914	0.6
185.09744	0.7
185.11795	3.9
185.13394	0.8
187.09737	1.6
187.14931	4.3
189.12857	0.6
191.10793	1.1
195.11775	0.8
197.11691	0.5
203.14391	1.1
205.12263	1.3
207.10223	1.6
209.11797	9.8
210.12270	0.5
211.11258	0.5
211.13379	1.2
213.12819	7.3
215.10725	1.3
217.12335	0.4
221.15451	0.9
225.11226	0.8
231.13896	11.6
232.14236	0.5
233.11842	1.7
235.08176	2.6
235.13348	1.4
245.15572	0.5
247.13303	1.6
249.14890	2.6
253.09225	1.2
261.14917	1.6
265.18179	0.4
273.15015	0.6
285.14957	0.7
289.14911	0.4
289.18069	0.5
329.24881	0.9
331.19083	0.4
339.23209	2.2
349.20160	0.4
355.22830	0.9
357.24408	1.4
365.21130	2.2
373.23846	2.5
383.22235	11.7
384.22589	1.0
391.24792	0.9
401.23303	14.1
402.23859	0.9
419.24408	3.6
445.20602	0.9
457.26291	0.5
517.63391	0.4
609.32666	1.4
619.31189	100.0
620.31537	13.3
637.32239	24.2
638.32550	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	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63139	0.7
59.01365	1.1
61.98817	1.2
65.00314	1.5
69.03464	1.3
69.34650	0.5
71.01366	1.6
71.14120	1.2
73.02934	1.0
77.03964	1.7
81.03448	0.9
83.01383	2.8
85.02946	0.8
87.00855	0.6
87.69048	0.5
93.03463	0.6
95.01363	0.8
97.02966	1.7
99.00878	1.6
99.92624	0.6
108.02183	0.5
109.02945	1.9
110.00098	1.5
111.00899	3.9
116.92865	12.6
117.01942	1.6
117.92861	4.9
121.02939	2.4
123.04450	0.9
125.02476	0.7
136.98767	0.9
137.02444	8.8
139.00377	4.2
139.03989	1.4
140.01085	1.6
141.01923	4.7
151.03983	1.6
153.01929	11.7
154.99878	0.6
165.01900	9.0
165.99113	3.4
166.02678	1.5
166.99818	2.0
167.03526	0.6
181.01419	33.7
181.24626	0.6
182.02197	100.0
183.02963	95.6
184.03362	4.5
185.03447	0.8
194.02165	1.1
195.02959	1.9
197.11746	0.7
200.18866	0.7
224.92389	0.7
225.03896	0.7
229.67104	0.7
237.46179	0.8
327.07181	2.1
424.14337	0.6
484.26935	0.8
542.19440	0.8
553.82233	0.7
619.27667	4.2
620.27704	0.8
637.28540	74.9
638.28796	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	637.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
67.01904	0.6
68.99841	0.3
69.03448	1.4
70.73790	0.7
70.74139	0.5
71.01385	1.0
77.03971	1.6
79.77128	0.3
81.03465	0.7
81.91644	0.4
83.01378	3.3
85.02958	0.9
93.03458	0.7
95.01345	0.8
95.05003	0.4
96.69007	0.3
97.02926	1.6
98.61214	0.3
99.00893	2.3
108.02173	0.6
109.02952	1.2
110.00093	1.9
111.00890	4.1
111.04549	0.6
113.02460	0.6
121.02954	2.8
123.00838	0.5
123.04477	0.5
125.02474	0.4
135.04494	0.3
136.98859	0.8
137.02444	8.1
139.00369	4.2
139.04016	1.2
140.01144	1.4
141.01936	5.4
142.04559	0.3
142.20847	0.3
149.31511	0.4
151.04012	0.9
153.01933	7.0
162.15666	0.4
165.01923	10.1
165.99063	3.1
166.02565	0.7
166.99857	2.6
167.03406	1.0
171.54529	0.3
177.01892	1.1
181.01414	10.9
182.02202	100.0
183.02971	93.2
184.03354	2.8
193.05000	0.6
194.02182	1.7
195.03014	1.9
207.02977	0.6
209.11830	0.6
211.13406	1.3
213.31604	0.3
225.03940	0.9
276.72903	0.3
288.19751	0.4
291.19458	0.9
327.07217	1.7
345.08356	0.8
539.21179	3.9
540.21918	0.7
546.42352	0.3
619.27478	9.9
620.27808	1.2
637.28589	73.7
638.28888	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	637.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63768	0.4
54.40095	0.4
58.53492	0.4
59.01371	0.4
62.59380	0.4
65.73374	0.3
68.99827	0.5
69.03449	1.7
71.01376	0.6
77.03979	0.9
81.03444	0.7
83.01398	2.6
85.02935	0.5
93.03463	0.5
95.01394	0.8
97.02953	0.9
99.00878	1.4
99.86770	0.4
109.02936	1.2
110.00123	1.8
111.00887	3.6
111.04513	0.5
121.02966	2.9
123.00874	0.8
123.04530	0.8
125.02444	0.8
136.98790	0.9
137.02446	7.2
139.00352	3.5
139.03978	0.9
140.01149	1.4
141.01947	4.0
146.02217	0.4
151.03998	1.1
153.01933	5.6
154.02425	0.3
155.03496	0.4
165.01920	9.0
165.99071	3.5
166.02658	0.8
166.99854	1.5
167.03458	0.5
177.01993	0.5
179.03484	0.5
181.01418	9.8
182.02194	93.2
183.02962	87.3
184.03313	2.2
194.02159	1.2
195.03011	1.9
197.11832	0.4
204.10596	0.3
207.03110	0.5
224.57198	0.4
225.04018	0.7
252.95958	0.4
303.17758	0.3
327.07199	1.2
345.08261	0.5
637.28583	100.0
638.28973	16.4
666.46478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60913	0.4
62.71693	0.4
65.00333	0.6
67.01896	0.4
68.99813	0.5
69.03464	1.7
70.31264	0.9
71.01376	0.8
75.00874	0.5
77.03974	1.4
81.03453	0.7
83.01385	2.7
85.02955	0.6
93.03458	0.7
95.01408	0.5
97.02934	1.4
99.00880	1.5
99.04526	0.4
108.02229	0.4
109.02948	0.5
110.00106	1.8
111.00882	3.6
111.04531	0.9
113.02418	0.4
121.02966	2.7
123.00874	0.8
123.04539	0.7
125.02513	0.5
136.98830	0.7
137.02437	8.8
139.00348	3.8
139.04007	1.3
140.01152	1.2
141.01936	4.2
151.04004	1.2
153.01923	5.7
155.03479	0.6
163.03935	0.4
165.01913	10.9
165.99084	3.8
166.02737	0.7
166.99825	2.2
167.03510	0.7
181.01427	9.3
182.02203	100.0
183.02969	92.0
183.06323	0.6
184.03282	3.1
194.02187	1.0
195.02960	1.5
197.11815	1.0
207.03072	0.6
225.03998	1.0
327.07224	1.4
345.08310	0.7
454.99854	0.5
464.68118	0.5
528.19946	0.4
547.76385	0.4
637.28601	88.7
638.28900	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	637.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.22684	0.2
59.01380	2.0
66.17383	0.2
71.01393	0.9
71.51723	0.3
81.03449	2.4
83.01385	1.4
85.02953	0.5
89.02460	0.9
92.22291	0.2
94.46586	0.2
95.01355	0.2
95.05010	0.4
99.04517	0.2
101.02423	1.0
107.01402	0.6
113.02459	0.5
119.03523	0.6
120.99656	1.1
123.04524	21.9
124.04858	0.8
125.01540	0.2
125.02444	4.4
126.02851	0.2
127.07650	0.7
135.04506	0.2
141.03030	0.3
145.08675	0.8
149.02457	0.5
151.00359	1.0
163.04015	0.4
167.03490	100.0
168.02487	0.3
168.03828	3.2
168.61211	0.2
175.02457	0.2
191.03473	0.6
209.04488	1.1
306.10867	0.2
307.13980	13.0
308.14203	0.5
329.08759	18.3
330.09055	1.1
637.20697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03126	0.3
57.03415	0.4
59.01363	0.7
59.36210	0.2
61.98818	0.5
68.99812	0.3
69.03450	1.8
70.01236	0.9
71.01381	1.2
73.03007	0.3
77.03982	1.5
78.66347	0.3
81.03458	0.6
83.01383	3.1
83.05035	0.4
85.02937	0.5
93.03456	0.7
95.01389	0.8
97.02943	1.3
99.00893	1.6
109.02940	0.8
110.00091	1.3
111.00881	3.4
113.02444	0.5
121.02953	2.4
123.00921	0.6
123.04469	0.4
125.02439	0.8
135.04512	0.3
136.98784	0.8
137.02446	7.8
137.99567	0.3
139.00348	3.6
139.04013	1.2
140.01187	1.3
140.88957	0.3
141.01926	4.4
151.04002	0.7
153.01938	5.9
155.03493	0.7
163.04028	0.3
165.00529	0.6
165.01915	9.9
165.99063	2.9
166.02753	1.3
166.99843	2.0
167.03487	0.8
177.01897	0.7
179.03427	0.5
181.01425	9.7
182.02199	100.0
183.02963	89.8
184.03358	2.7
189.03752	0.3
193.05045	0.5
194.02161	1.1
195.02974	2.3
203.20538	0.3
207.02960	0.9
211.13362	0.3
221.04483	0.3
225.04198	0.4
288.04578	0.3
309.20215	0.3
310.12689	0.3
327.07187	1.6
342.19293	0.3
345.08096	0.4
401.23267	0.5
425.14731	0.3
539.21039	1.0
551.21204	0.3
555.75916	0.4
556.25507	0.4
636.78418	0.9
637.28601	89.3
638.28882	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	637.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
61.98825	2.9
68.60190	0.7
68.62238	0.8
70.13977	0.8
71.01403	2.0
71.12797	1.6
71.13143	1.2
72.91451	0.8
74.41779	0.8
83.01395	3.3
88.98812	1.1
91.05599	0.8
93.03450	2.1
97.02955	0.9
107.01389	2.2
112.40528	0.8
116.92888	0.9
119.05022	33.1
120.05362	0.9
125.02487	1.0
137.02400	1.6
138.03252	1.7
141.01906	0.8
145.02971	1.6
153.01884	1.9
163.04005	24.1
164.04314	1.0
165.01906	6.7
166.02707	2.3
170.02180	1.3
171.04364	0.8
171.10277	2.0
175.03964	0.9
177.01881	0.9
178.02625	1.5
178.99854	3.0
179.03474	2.3
181.01398	2.4
182.02196	2.6
183.02971	2.6
192.00600	1.3
193.01422	2.1
194.02197	2.1
195.02982	1.2
199.68805	0.9
205.01437	1.9
207.02985	3.0
209.00868	3.3
209.11829	1.9
215.03610	0.9
219.03030	1.8
221.00943	2.2
229.05034	4.4
230.05814	1.1
233.00879	4.7
234.01689	10.8
235.00255	1.5
235.02454	18.1
241.05011	1.5
243.03011	1.3
243.06499	1.2
253.09274	1.9
255.06596	1.2
257.04547	15.3
258.05063	1.5
259.06046	6.0
269.04535	1.0
271.06183	1.6
272.42816	0.8
273.07690	1.9
273.74487	0.8
283.06131	2.2
285.04004	5.2
285.07367	1.2
287.05585	3.2
299.05457	2.6
300.06253	5.8
301.07166	1.3
311.05569	1.1
327.04962	22.8
328.05826	18.6
329.06628	50.3
330.07117	2.2
341.23291	2.8
353.08759	1.4
354.30255	0.9
379.06702	8.1
397.07645	9.2
398.08438	1.0
401.23111	1.1
431.09595	7.0
473.10880	47.9
474.11102	3.9
491.11920	100.0
492.12354	7.0
569.73096	0.9
637.15479	4.4
637.32227	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07696	0.6
56.41883	0.6
56.97625	0.7
59.01372	1.3
61.98822	3.0
62.39782	0.6
64.71421	0.6
70.75300	1.5
71.01374	1.6
72.99302	0.7
78.95898	2.5
79.41456	0.6
80.96222	0.6
83.01365	4.6
83.05025	1.0
85.02906	1.0
85.22489	0.7
87.00845	0.6
88.98824	0.8
89.02443	0.7
93.03443	2.5
101.02451	0.9
107.01412	1.2
109.02947	0.7
116.92901	0.6
117.03426	1.6
119.05020	26.9
121.02956	0.6
133.02917	0.7
137.02422	2.3
138.03229	2.0
141.01904	0.7
141.21968	0.6
145.02963	5.0
150.03197	0.8
151.00366	1.8
153.01907	2.3
159.10243	1.0
161.02391	1.4
163.04005	22.1
164.04224	0.9
165.01936	9.6
166.02650	2.6
166.99838	1.1
170.02155	0.8
171.00658	1.2
171.04494	1.8
171.10263	2.4
175.02536	0.8
177.01947	1.1
178.02791	1.3
178.99800	1.3
179.03481	2.4
181.01407	3.8
181.69664	0.7
182.02170	2.6
183.02943	4.4
185.06061	0.9
189.05634	0.8
190.99913	0.8
192.00636	0.8
193.01379	1.2
193.12254	0.7
194.02205	5.0
199.03960	2.2
203.03447	1.1
205.01414	2.1
206.02090	0.9
207.02887	1.6
209.00876	1.1
209.11806	4.6
211.07634	0.7
213.05539	0.8
215.03458	1.4
217.05070	2.0
219.02965	2.9
223.07631	1.2
225.15036	0.8
226.01193	1.0
229.05037	5.9
230.05641	0.7
233.00853	6.1
234.01662	12.5
235.02464	11.9
236.02809	1.2
240.04280	1.1
241.04988	2.3
243.02968	1.3
243.06590	1.0
244.03783	1.1
245.04614	3.9
253.09273	1.3
255.06558	2.1
257.04520	8.3
259.06207	5.3
271.06064	2.3
273.07651	1.5
283.06131	5.2
285.03955	4.2
287.05545	3.3
299.05688	1.7
300.06390	8.0
301.06805	1.2
306.07635	0.7
311.05734	0.9
327.04950	26.8
328.05832	33.5
329.06622	32.6
330.07019	1.9
341.23276	5.8
345.08224	1.1
353.08511	1.4
379.06570	4.8
397.07693	11.7
398.08414	0.9
407.09933	1.9
421.68600	0.8
431.09769	2.6
473.10889	46.4
474.11127	4.3
491.11932	100.0
492.12216	9.0
506.11618	0.8
543.11633	1.4
637.15277	4.4
637.32117	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	637.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.7
61.98812	3.9
63.36053	1.0
70.15401	1.1
71.01382	2.1
72.45191	0.9
83.01382	3.8
88.98766	1.6
89.02439	1.9
93.03415	1.5
97.02996	1.0
99.00880	1.1
119.04269	1.7
119.05025	17.4
120.05335	1.3
137.02412	2.7
138.03152	2.5
141.01886	1.6
143.04688	1.7
145.02994	1.3
150.03195	1.7
153.02013	1.3
160.28447	1.2
161.02484	1.1
163.03995	15.4
165.01900	11.8
166.02676	2.8
171.04471	2.5
178.02684	2.5
179.03493	1.5
182.02168	7.7
183.02956	8.0
193.01352	1.6
194.02164	4.6
199.04034	1.5
205.01489	5.4
207.02989	2.5
209.00873	1.7
209.11827	22.7
218.99202	1.3
229.04947	3.7
233.00845	11.1
234.01671	11.0
235.02461	13.9
241.05022	2.0
243.02841	1.6
255.06563	1.6
257.04501	4.7
259.06061	3.4
271.06357	1.5
283.06091	5.3
285.04156	1.3
300.06351	8.6
306.07550	1.2
327.05038	17.4
328.05844	30.0
329.06628	38.3
330.07043	2.3
345.08191	2.6
347.18774	1.3
379.06726	13.3
397.07727	7.4
401.23337	2.1
419.23688	1.4
473.10843	31.2
474.11038	3.3
491.11926	100.0
492.12451	9.5
555.20593	3.2
556.21008	1.6
557.22369	2.1
605.22974	1.3
637.15363	3.1
637.32959	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	637.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
61.98820	4.0
63.02407	0.9
65.00323	1.1
66.78105	0.7
68.99804	1.2
69.36241	5.9
71.01379	9.7
72.99322	1.3
76.28845	0.8
78.95905	5.7
83.01386	3.5
85.02946	5.9
87.00888	1.5
88.98804	1.0
89.02451	1.5
93.03438	5.0
95.01370	1.3
99.00879	1.8
101.02456	1.3
102.22245	0.7
103.00360	2.2
107.01382	2.5
107.62073	0.7
109.02943	1.4
111.00877	1.2
113.02443	9.2
115.00380	1.2
117.03449	2.2
119.05013	6.5
123.00852	2.5
132.02165	6.7
134.03728	9.6
135.00929	2.0
135.04515	0.8
137.02437	1.4
141.01942	1.0
143.04810	1.2
145.02991	4.0
149.06039	1.1
151.00388	7.6
153.01836	1.2
155.04987	0.8
159.04532	2.0
159.10237	1.2
160.01660	28.9
161.02354	3.6
161.05988	1.0
163.00337	2.2
163.04015	5.1
165.01910	1.9
169.06572	1.0
171.00577	2.5
171.04558	1.5
171.10251	3.4
172.10625	1.1
175.02464	7.9
175.03967	48.1
176.04474	1.8
182.02182	1.5
183.02884	2.2
185.06119	2.3
187.04010	4.5
189.05586	1.4
190.02715	1.7
190.99835	2.0
191.03406	1.3
192.00635	5.7
193.01236	1.2
193.05025	8.1
195.04530	0.9
197.05945	1.6
199.04059	1.4
199.48758	0.8
201.05539	1.7
201.11298	1.5
205.01379	1.0
206.02081	1.2
209.11789	5.9
211.04019	2.5
213.05515	2.4
215.03526	4.3
216.04280	1.5
217.05060	7.7
219.02962	2.7
227.03479	7.3
229.05029	10.7
233.00966	5.8
234.01678	29.1
235.02466	35.1
236.02823	1.1
239.03398	0.9
241.05089	1.7
243.02940	2.5
244.03754	6.0
245.04539	18.2
253.09161	2.1
253.39023	0.8
255.02997	11.2
256.03586	2.0
257.04559	5.1
259.06064	3.7
283.02484	1.8
284.03278	14.4
285.04031	100.0
286.04370	4.6
306.07526	1.3
313.06955	1.0
325.03391	1.1
329.06619	13.0
337.05148	1.2
341.23422	3.3
345.08295	1.2
351.07199	16.8
352.07281	0.9
379.06537	7.1
389.08774	4.2
397.07736	42.1
398.07980	2.2
407.09927	5.1
443.06177	37.2
444.06332	2.9
461.07089	1.3
473.10941	1.3
488.78186	0.9
491.11951	41.1
492.12100	2.2
543.11267	3.6
637.12421	4.4
637.21887	1.2
637.32062	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	637.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.89079	0.2
59.01382	2.9
59.51198	0.3
60.10603	0.3
61.46592	0.3
63.02410	1.4
65.00311	1.3
67.01887	0.3
67.63370	0.2
68.99793	0.6
69.28160	1.2
69.28587	1.1
71.01378	8.9
72.99300	1.2
73.02942	0.6
75.00868	0.7
78.95905	1.6
83.01383	2.4
85.02938	5.9
85.03456	0.3
87.00869	1.3
89.03959	0.4
91.01900	0.5
93.03453	2.2
95.01408	2.2
99.00867	2.3
100.98771	0.3
103.00367	2.1
107.01392	2.9
109.02924	0.6
111.00854	0.7
113.02444	10.5
115.00359	1.5
116.92770	0.3
117.03448	1.4
119.05033	0.3
121.02931	0.4
123.00922	0.5
132.02168	7.1
133.02878	0.6
134.02721	0.6
134.03735	10.3
135.00844	1.2
137.02431	0.6
143.05023	1.6
145.02902	0.8
145.06532	0.4
147.04494	0.4
149.06093	2.0
151.00363	4.1
153.01901	0.7
154.04277	0.6
155.05000	0.6
157.01416	0.8
157.06525	0.9
159.03072	0.4
159.04480	1.4
160.01649	37.5
161.02440	2.4
163.00397	1.7
164.01096	0.7
165.01877	0.6
167.04984	0.6
169.01447	0.5
169.06566	1.2
171.00575	0.9
171.04520	0.9
173.02411	0.7
173.06093	0.3
174.03227	0.3
175.02463	9.7
175.03960	58.2
176.04347	2.1
177.02028	0.4
178.02638	0.6
178.99858	0.4
182.02180	1.8
182.03635	0.5
183.02934	1.5
183.04518	0.8
185.06052	2.8
187.03986	3.1
189.05519	1.2
190.02739	0.3
191.07132	0.6
193.05042	9.5
195.04483	0.6
197.06091	0.8
199.03946	1.1
201.05588	0.6
202.02650	0.6
211.04012	2.2
213.05556	2.2
214.05931	0.3
215.03549	0.7
217.05066	1.1
219.03061	0.5
227.01331	0.5
227.03491	7.1
228.03868	0.5
229.05034	10.5
230.05490	0.4
231.06610	0.5
233.04518	0.8
235.02626	0.3
235.05949	0.7
239.03539	1.8
240.04102	0.9
241.04980	1.4
243.02950	0.4
244.03438	0.3
245.04497	0.6
247.06187	0.4
249.07594	0.4
255.02982	12.5
256.03687	1.7
257.04535	6.3
258.05045	0.4
259.06079	4.7
260.06348	0.4
267.02887	0.5
268.03647	0.4
269.04547	0.4
283.02554	2.3
284.03250	16.4
285.04016	100.0
286.04416	5.7
291.05038	0.5
321.22055	0.3
325.03641	0.7
337.05606	1.1
345.08133	0.4
351.07196	21.2
352.07559	1.0
394.39603	0.3
397.07687	0.6
399.07254	0.8
443.06155	37.6
444.06558	3.3
461.07260	1.0
491.12045	0.5
543.10687	0.3
574.22388	1.1
637.11768	6.4
638.12469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94466	0.3
58.02974	10.2
65.49277	0.3
69.59449	0.9
69.59872	1.1
70.02972	4.9
72.00907	3.1
73.29079	0.3
74.88583	0.3
87.74911	0.3
90.65089	0.3
91.05524	3.5
96.96029	0.7
98.19859	0.4
103.05556	0.4
108.83737	0.3
119.05000	0.3
122.40057	0.3
127.19466	0.3
128.03568	0.4
131.02936	0.4
147.04515	21.2
148.04842	0.6
162.09204	0.4
164.07158	58.5
165.07474	1.9
188.15138	0.4
206.08211	100.0
207.08528	3.6
223.67914	0.3
242.30104	0.3
245.04514	0.3
250.07140	1.2
306.30933	0.3
338.73273	0.4
354.93866	0.3
489.10007	0.4
628.29962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41642	0.6
56.49107	0.6
59.01377	0.7
61.98823	2.4
65.00294	0.6
69.03448	1.2
71.01382	1.4
72.61053	0.6
77.03964	1.4
83.01370	4.0
93.03452	1.0
95.01389	1.2
95.05005	0.9
97.02925	1.4
99.00893	2.1
109.02950	0.6
110.00108	1.9
111.00873	4.2
119.08691	0.8
120.49459	0.6
121.02962	3.0
123.04481	0.8
125.02417	0.9
136.98788	0.8
137.02434	9.0
139.00371	3.4
139.04048	1.2
140.01120	1.5
141.01941	5.6
151.03979	0.7
153.01926	7.2
163.04091	0.6
165.01915	9.9
165.85887	0.6
165.99062	3.5
166.02635	1.1
166.99884	2.5
171.10236	0.8
174.01698	1.0
177.01904	0.7
181.01437	9.3
182.02200	100.0
183.02968	94.9
184.03340	2.5
194.02214	1.1
195.02985	2.5
207.02939	1.1
263.09018	0.9
327.07196	2.1
425.14471	1.4
426.14780	2.1
426.25439	0.6
554.25482	0.9
577.28912	0.6
617.25952	3.0
635.27039	90.4
636.27307	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	635.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.6
71.00951	1.6
77.65490	0.8
78.95434	1.0
78.95901	21.2
88.29803	0.8
96.96957	2.4
125.09724	0.8
127.11269	1.9
144.75374	0.8
152.99577	29.5
153.09251	0.9
171.00645	3.1
171.10260	100.0
172.10597	3.4
203.33127	0.7
226.27116	0.9
227.03206	3.1
253.21703	20.8
254.21985	1.8
255.23199	1.3
263.65222	0.8
272.53360	0.8
305.92862	0.8
307.09436	2.4
381.13058	2.1
399.14212	71.9
400.14520	3.6
617.34845	1.8
635.35590	27.5
636.35852	3.2
639.28845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.5
61.98816	7.5
64.16167	2.4
69.97288	7.3
69.97647	3.5
71.01392	19.6
72.99322	2.6
73.02952	3.5
77.98959	2.0
78.95907	5.7
83.01366	3.0
85.02959	5.4
87.00865	3.9
87.72810	2.4
88.76092	2.1
89.02436	9.3
90.50152	2.3
92.19912	2.2
96.47461	1.9
101.02432	8.6
113.02440	6.7
119.03470	2.5
136.73344	1.9
138.63417	2.5
152.99568	4.4
179.62157	2.1
195.13864	12.6
201.14949	2.4
211.90819	2.2
213.14964	10.4
255.23318	3.7
257.43137	2.2
277.21716	17.5
291.23163	3.6
357.19150	11.4
364.48001	2.4
365.34003	2.2
375.20392	18.2
376.20175	2.7
429.87384	2.2
458.30859	2.4
592.36523	2.8
635.41711	100.0
636.41895	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	635.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22931	0.3
58.18021	0.3
58.30469	0.3
59.53948	0.3
60.77003	0.3
61.82079	0.3
61.98838	0.6
65.00322	0.6
68.89651	0.3
68.99809	0.6
69.03448	1.5
69.92998	1.4
71.01379	0.6
71.86259	0.3
77.03977	1.9
81.03458	0.8
81.69577	0.3
82.33901	0.3
83.01380	2.7
83.23819	0.3
85.02950	0.5
93.03468	0.9
95.01392	0.7
97.02934	1.5
98.19996	0.6
99.00888	1.6
109.02953	1.3
109.89392	0.4
110.00099	1.5
111.00871	3.4
111.04499	0.6
113.02435	0.7
121.02941	3.0
123.00893	0.6
123.04509	1.1
125.02472	0.6
136.98827	0.4
137.02434	8.6
139.00386	3.3
139.04034	1.1
140.01144	1.6
141.01936	6.0
151.03995	1.3
153.01932	6.3
155.03497	0.6
155.57446	0.4
165.01924	10.2
165.99086	4.0
166.02658	0.7
166.84322	0.3
166.99847	2.0
167.03441	0.7
171.57468	0.4
177.01968	0.7
181.01405	9.5
182.02196	100.0
183.02962	90.4
184.03310	2.9
193.05005	0.5
194.02191	1.3
195.02994	2.5
196.34973	0.4
207.02951	1.0
209.11688	0.5
225.04100	1.1
232.47722	0.4
257.62411	0.3
309.95056	0.3
327.07123	2.0
345.08127	0.6
537.19843	1.0
561.71710	0.4
617.25891	0.7
635.27008	86.4
636.27405	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	635.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87333	0.4
57.03461	0.6
59.01384	0.9
59.48639	0.4
61.98833	0.9
64.95722	0.4
65.00320	0.5
67.01887	0.6
69.03446	1.7
71.01377	1.4
77.03967	1.8
78.95866	0.8
81.03493	0.7
82.18339	0.4
83.01359	3.0
95.01357	0.8
97.02937	1.5
99.00882	1.6
101.02443	0.4
109.02959	1.2
110.00069	1.5
111.00866	4.1
121.02950	2.6
123.04527	0.7
123.27349	0.4
125.02470	0.8
132.37079	0.5
136.98822	0.5
137.02446	8.4
139.00392	3.9
139.04004	1.3
140.01144	1.3
141.01938	4.1
145.61301	0.5
151.04015	1.0
153.01947	6.9
155.03531	0.9
165.01915	8.6
165.99055	4.4
166.02644	1.0
166.99867	1.8
167.03510	0.7
177.01862	0.8
181.01422	10.8
182.02200	100.0
183.02968	93.4
184.03351	2.8
184.39424	0.4
186.29872	0.4
191.03436	0.4
191.50639	0.5
195.02945	1.7
207.02986	1.0
225.03992	1.0
229.79898	0.5
327.07114	1.7
345.08078	0.7
376.12863	0.4
383.22131	0.4
410.38757	0.4
511.52264	0.4
537.19965	0.6
553.61346	0.5
635.27008	98.4
636.27411	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	635.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01382	0.6
60.73554	0.6
61.98819	1.1
62.95398	0.5
65.51436	0.6
68.99801	0.5
69.03445	1.4
70.20570	1.6
71.01375	1.2
77.03966	1.1
78.95914	1.0
81.03452	0.8
83.01376	3.1
85.02956	1.2
87.00867	0.6
88.98797	0.7
93.03440	1.0
95.01408	0.9
97.02941	1.5
98.20567	0.6
99.00877	1.7
109.02954	1.1
110.00098	1.8
111.00880	2.9
111.04520	0.5
118.57685	0.5
121.02970	2.9
123.04488	1.1
125.02431	0.7
137.02437	8.5
139.00354	4.8
139.04015	1.3
140.01126	1.0
141.01913	4.6
151.04021	1.0
153.01920	6.1
164.01050	0.5
165.01910	8.4
165.99072	3.7
166.02692	1.2
166.99818	2.1
167.03566	0.5
171.10310	0.7
177.01997	0.8
181.01404	9.3
182.02200	100.0
183.02968	93.6
184.03325	2.7
186.01697	0.7
194.02068	0.7
195.02957	2.1
207.02925	0.7
225.04131	0.8
249.03714	0.5
265.99313	0.6
289.17996	0.7
314.02377	0.6
327.07117	2.0
347.99213	0.5
530.32660	0.5
598.52216	0.6
635.27002	91.2
636.27356	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	635.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75942	0.2
57.03454	0.4
57.24300	0.2
59.01369	0.6
61.98836	0.6
65.00324	0.6
67.01890	0.4
68.99818	0.6
69.03449	1.4
71.01389	1.2
77.03959	1.2
79.01898	0.3
81.03458	0.5
83.01373	2.7
83.05020	0.3
85.02945	0.5
85.57394	0.2
91.66507	0.2
93.03466	0.7
95.01376	1.2
95.05064	0.4
97.02952	1.8
99.00870	2.0
108.02168	0.4
109.02917	1.0
110.00093	1.8
111.00882	3.8
111.04507	0.5
112.38522	0.2
113.02454	0.4
121.02951	2.8
123.00863	0.9
123.04488	0.6
124.87510	0.2
124.98801	0.2
125.02415	0.4
127.04029	0.5
135.00873	0.3
135.04480	0.2
136.01656	0.3
136.98814	0.9
137.02438	8.8
137.99576	0.3
139.00377	3.7
139.03992	1.3
140.01163	1.5
141.01935	4.6
149.02390	0.2
151.03952	1.0
153.01933	6.5
154.02278	0.2
155.03554	0.5
161.02475	0.2
163.04099	0.2
164.01117	0.4
165.01921	10.5
165.99065	4.3
166.02699	1.1
166.99837	2.1
167.03499	0.8
177.01941	0.6
179.03549	0.4
181.01424	10.9
182.02199	100.0
183.02962	90.9
184.03319	2.8
186.01691	0.4
193.05066	0.5
194.02179	0.9
195.02980	2.2
207.02962	0.9
209.11728	0.4
221.78455	0.2
225.04108	0.9
327.07147	1.9
345.08255	0.6
537.19586	0.3
617.25806	0.3
635.27020	83.0
636.27332	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	635.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29797	0.7
56.48940	0.7
57.03455	4.2
57.65757	0.9
59.01375	26.9
69.03450	0.7
70.02966	1.7
74.02470	15.8
88.97682	0.7
95.80261	0.7
98.02474	3.0
99.08137	0.7
109.06585	2.4
111.08169	3.3
116.03547	7.5
123.04507	1.8
125.09751	4.8
131.05377	2.4
132.04596	4.3
137.09813	0.8
141.09225	2.5
143.10782	14.3
155.10777	2.6
157.12337	1.8
162.06435	0.7
167.03476	11.1
173.11838	1.4
184.07661	0.7
184.86290	0.7
201.06630	2.1
201.11328	9.3
219.12363	100.0
220.12674	3.5
254.42979	0.8
261.09103	18.4
261.13391	90.4
262.13721	4.5
265.37848	0.9
305.12384	1.5
329.08881	2.1
346.99619	0.7
502.46158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.72928	0.2
61.98827	0.6
63.27065	0.3
65.00321	0.4
67.01883	0.6
69.03452	1.2
71.01374	0.7
71.52940	0.5
72.47028	0.3
73.02938	0.4
75.00887	0.3
77.03967	1.5
78.95911	0.4
81.03432	0.6
82.90091	0.3
83.01380	3.8
83.05026	0.4
85.02942	0.7
89.02394	0.3
93.03458	0.8
95.01398	1.0
95.05011	0.5
97.02958	1.8
99.00887	2.2
99.04514	0.3
108.02173	0.6
109.02935	1.0
110.00102	1.8
111.00873	4.1
111.04550	0.5
113.02441	0.5
116.92877	1.4
121.02945	3.3
123.00858	0.8
123.04498	0.5
124.98841	0.3
125.02467	0.6
129.01926	0.3
135.00865	0.3
135.04488	0.3
136.98776	0.6
137.02429	7.9
138.02791	0.3
139.00381	4.0
139.03990	1.0
140.01108	1.7
141.01935	4.9
151.03987	1.0
153.01927	7.2
153.03154	0.5
155.03477	0.6
164.01163	0.5
165.01918	8.8
165.99063	4.9
166.02614	1.1
166.99883	2.0
167.03456	0.8
177.01907	0.7
179.03522	0.4
180.99779	0.6
181.01408	11.3
182.02194	100.0
183.02959	90.7
184.03343	2.6
186.01643	0.5
194.02151	1.1
195.02997	1.9
207.02875	0.7
209.11879	0.4
225.04047	0.8
327.07059	1.6
345.08197	0.6
534.68231	0.3
537.19855	2.1
593.26318	0.4
617.26025	0.8
635.27002	77.2
636.27307	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
71.01376	1.5
71.19933	0.8
73.02950	0.4
74.02020	0.4
79.05526	5.3
81.03455	4.3
83.01372	0.5
85.02952	0.6
95.01410	0.4
101.02469	0.5
105.03452	1.8
109.02947	0.7
121.02900	0.5
122.03744	1.2
123.04517	84.5
124.04850	2.3
125.02461	2.8
125.54991	0.4
137.02472	1.1
137.06108	0.6
139.03972	0.5
149.02425	19.8
150.02820	0.5
153.01920	0.7
161.04637	0.4
165.01910	1.0
165.05496	0.5
167.03481	15.4
191.03531	0.9
203.03497	0.4
209.04454	0.9
223.06079	0.7
305.06650	3.5
308.23352	0.4
309.02783	0.4
323.13507	0.6
329.08749	100.0
330.09015	5.1
359.03412	0.7
497.07983	0.4
619.85712	0.5
635.09967	1.2
661.83026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57131	0.7
61.98839	1.4
71.01369	1.1
71.29152	1.6
77.03942	1.0
83.01389	1.8
95.20782	0.7
97.02957	1.3
99.00871	1.4
99.04568	0.7
109.02959	1.1
110.00143	1.0
111.00890	3.2
120.35389	0.7
121.02956	1.8
131.22322	0.7
132.07980	0.7
135.14888	0.7
137.02437	5.8
139.00383	2.7
139.03992	1.5
140.01126	1.1
141.01971	4.1
151.03993	1.6
153.01964	4.5
165.01924	7.4
165.99088	3.4
166.02461	0.7
166.99902	1.6
181.01422	8.3
182.02209	100.0
183.02979	82.3
184.03349	2.1
187.10788	0.8
195.02934	1.1
211.13400	2.6
213.21275	0.7
216.19516	0.8
225.04057	1.1
327.07071	1.3
413.45795	0.7
539.21326	21.6
540.21808	2.0
546.76904	1.0
571.23920	98.6
572.24341	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	633.2549
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
58.21036	0.6
59.01379	1.3
61.98827	1.2
67.80182	0.6
69.03455	1.3
69.68118	0.6
71.01370	1.7
71.52052	0.8
77.03968	1.4
83.01392	3.7
84.44879	0.6
85.02959	0.9
95.01383	0.9
95.05004	0.7
97.02947	1.2
99.00878	2.3
109.02954	0.6
110.00084	1.7
111.00875	4.5
111.04535	0.8
113.02516	0.6
117.07127	0.9
121.02942	2.5
123.04527	1.3
125.09674	1.0
137.02438	8.8
139.00360	4.0
139.04005	1.3
140.01141	2.4
141.01913	4.8
153.01930	6.5
165.01910	11.1
165.99063	2.6
166.02686	0.8
166.99843	2.2
167.03526	0.9
171.10283	0.7
181.01436	9.8
182.02196	100.0
183.02965	81.1
183.51190	0.6
184.03291	3.0
186.01665	0.8
194.02206	1.0
195.02937	1.8
267.54861	0.6
287.16489	1.7
327.07169	1.4
431.58630	0.6
571.23187	0.8
573.23328	0.8
615.24402	42.8
616.24695	6.1
633.25433	43.2
634.25452	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	633.3273
Annotation	Jaspamide O
Peak:m/z	Relative Intensity
61.98829	2.0
69.03460	1.6
69.78555	3.9
71.01392	0.7
77.03950	0.9
78.95933	1.2
83.01385	2.4
93.03464	0.7
95.01394	1.1
97.02927	1.1
98.20632	0.8
99.00848	1.1
100.91380	0.6
110.00077	2.0
111.00855	3.9
121.02964	2.1
123.00967	0.8
125.12907	0.7
127.03913	1.0
137.02444	6.8
139.00391	4.0
139.03967	1.6
140.01196	1.0
141.01906	3.6
152.99561	1.9
153.01909	6.1
165.01933	10.0
165.99098	4.9
166.02716	0.8
166.99860	1.7
167.03549	0.8
181.01404	11.7
182.02193	100.0
183.02963	89.2
184.03268	2.3
194.02142	1.6
195.02917	2.4
259.07730	0.7
305.24820	1.5
327.07114	1.5
341.07230	0.7
379.11438	0.8
384.15042	0.8
416.23672	0.7
483.24265	1.0
613.84320	0.7
633.32745	83.0
634.33148	12.5
634.42560	1.4
648.99243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25053	0.8
57.03441	1.0
59.01374	8.6
61.98822	2.9
64.12041	0.8
67.01863	0.9
69.55900	5.0
70.81719	0.9
71.01380	15.3
72.99305	1.1
73.02917	0.9
78.95885	1.3
81.03450	2.2
83.01373	4.3
85.02961	1.3
87.00875	25.3
88.98800	2.9
89.02441	1.9
93.03445	2.5
96.95984	4.0
99.92574	1.5
101.02410	1.4
109.02959	0.9
113.02458	1.0
115.00371	37.7
115.92052	0.9
116.92839	2.5
117.03492	1.2
119.05006	2.4
121.02956	1.4
123.04533	9.2
125.02447	5.1
125.09750	1.2
127.00365	2.2
128.03534	1.8
129.01950	2.1
134.03726	1.0
135.04504	2.0
137.02428	2.2
138.03174	1.6
141.01909	1.7
143.04619	1.7
147.08177	1.1
150.03207	1.8
151.00346	1.7
153.01912	4.4
153.47125	0.8
161.02423	3.7
163.03981	3.2
165.01941	4.2
166.02687	2.0
167.03490	24.6
171.10240	6.1
175.02477	64.7
175.03867	2.2
176.02763	1.1
178.02701	1.1
179.03485	5.2
182.02165	2.9
183.02998	3.9
191.03514	3.3
192.04355	1.7
193.01387	1.0
194.02026	1.0
195.06537	1.0
205.05035	7.6
206.09480	1.9
207.02992	3.4
207.05005	1.7
208.03717	1.3
209.04498	4.6
209.11795	1.0
217.08681	1.6
219.10260	1.3
221.08224	1.2
225.11197	1.3
227.12830	1.0
233.04581	12.4
233.08122	1.8
234.04707	1.3
234.08792	1.2
235.09726	19.4
236.10245	1.5
249.00305	0.9
251.09296	1.9
253.09299	0.9
261.07590	2.0
262.08450	35.4
263.09204	28.8
267.12180	1.5
273.07678	27.6
274.08087	2.4
275.09253	1.2
279.08719	23.4
294.11063	9.3
295.11716	3.4
306.07632	2.4
345.08279	1.8
345.22620	1.0
425.14496	52.7
426.14822	4.6
437.18109	2.0
457.17130	100.0
458.17380	9.5
485.10934	1.0
507.10492	1.4
513.16003	2.8
592.59387	0.9
597.16156	5.4
598.15778	1.5
617.23956	1.3
633.22815	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	633.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09711	0.5
53.56395	0.5
58.98639	0.6
59.01375	6.0
61.45462	0.5
61.98829	1.3
69.46211	2.5
69.46609	0.9
71.01379	9.3
72.99313	0.7
73.02944	1.2
75.00867	0.8
83.01398	2.2
83.87363	0.5
85.02939	1.8
87.00874	18.6
89.02440	0.7
93.03459	0.5
96.96001	5.9
101.02431	1.6
113.02453	1.2
115.00369	30.5
116.00677	0.6
116.92907	0.5
126.05841	0.5
127.00413	0.7
128.03549	0.6
133.02946	4.1
135.04536	2.1
137.02458	1.1
138.03198	0.8
141.01912	1.6
143.04610	1.1
145.02953	0.8
146.06140	0.6
150.03253	0.6
151.03961	1.1
153.01921	3.3
161.02448	8.6
163.04008	1.6
164.04744	0.9
165.01881	2.8
166.02684	1.5
167.03462	0.6
171.10300	2.7
175.02467	55.9
176.02785	1.5
177.05548	0.9
178.02658	1.3
179.03468	2.7
181.01427	0.9
181.04991	0.9
182.02165	2.7
183.03006	3.0
191.03574	2.4
192.04208	1.1
193.08640	0.6
195.06572	0.6
205.05070	3.5
206.09531	1.2
207.03006	2.8
207.04778	0.6
207.10266	0.8
209.04512	4.7
217.08597	0.7
219.06667	0.6
219.10361	0.7
233.04527	11.0
233.08150	1.5
234.09003	0.8
235.09752	15.9
236.09993	0.9
245.08131	0.7
251.09206	2.4
251.11449	0.7
261.07703	1.5
262.08435	23.0
263.09207	22.1
263.12051	1.1
264.09735	1.9
267.12402	0.9
275.09198	1.0
279.08716	23.5
280.08987	0.9
294.11023	8.2
295.11710	3.9
306.07581	1.5
307.07919	0.9
325.07065	0.6
345.08075	2.8
380.24203	0.6
399.12775	1.1
407.13306	0.9
413.14450	1.1
425.14474	20.7
426.14795	1.9
448.82425	0.6
457.17126	100.0
458.17410	7.4
467.41815	0.6
507.10498	0.6
571.25946	0.9
633.21069	3.0
633.31036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31347	0.2
58.73510	0.3
59.01365	0.4
59.12897	0.3
61.98824	0.6
73.02940	4.9
75.00870	0.8
90.23244	0.3
98.20668	0.7
99.00870	1.2
99.92580	10.1
100.92567	0.3
114.93446	0.5
116.92854	100.0
116.97230	2.3
117.01935	11.3
117.92863	3.5
210.92841	0.3
277.21811	0.4
305.07681	0.3
328.34595	0.3
372.92459	0.4
481.01450	0.3
596.75824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66954	0.5
57.03425	2.2
58.58560	0.5
59.01359	1.8
60.40170	0.5
61.98823	1.1
68.99805	0.5
69.03437	1.0
71.01373	1.8
71.29378	1.2
75.00888	0.6
81.03418	0.7
83.01372	4.5
85.02975	0.8
93.57904	0.5
96.95992	1.1
97.02917	1.5
99.00860	1.8
101.02409	0.9
102.05583	0.7
109.02944	1.4
111.00887	2.1
113.02477	1.0
121.02940	2.3
123.00856	0.6
123.04509	1.2
125.02432	26.3
126.02776	0.7
128.03519	1.4
133.02945	1.4
135.04483	0.7
137.02415	4.3
138.03178	1.1
139.00327	1.2
139.04013	1.5
140.01178	0.8
140.37053	0.5
141.01936	6.1
146.04562	2.0
149.02464	0.5
150.03249	1.0
151.03978	2.3
153.01933	6.0
161.02420	7.0
162.03165	1.1
163.04005	0.9
165.01915	8.1
165.05557	0.8
165.99023	1.5
166.02640	0.7
166.99782	0.8
167.03481	1.3
175.04013	1.3
177.01891	5.5
181.01434	8.2
182.02187	81.1
183.02957	78.6
184.03284	2.0
190.02620	0.6
191.03523	1.2
193.01407	1.4
193.05080	0.7
194.02139	1.2
195.02975	3.7
199.03993	0.6
203.03511	0.9
205.05096	0.7
206.02155	1.0
207.03004	2.4
209.04520	1.1
217.05075	1.1
220.09946	0.6
221.00873	2.9
222.01572	1.2
223.02547	1.2
231.02982	0.9
232.03688	3.4
233.04533	2.9
235.02382	0.7
245.04703	0.7
247.06351	0.6
256.03815	0.6
257.04422	1.1
274.04633	3.1
275.05518	0.9
285.00101	0.7
287.05521	4.6
300.02719	5.4
301.03455	1.7
303.07166	1.3
306.07693	1.1
318.03690	1.0
319.04407	1.3
327.05072	0.7
344.05307	1.3
345.08224	100.0
346.08551	5.7
385.07507	1.1
395.09702	2.2
397.07678	1.8
437.10965	2.6
463.08688	4.6
464.09494	0.6
481.09799	20.4
482.10220	1.4
507.11401	18.0
508.11813	2.0
589.17688	1.4
633.14478	12.3
634.14911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31816	0.5
57.03434	2.0
58.56431	0.5
59.01373	0.9
70.66702	1.1
71.01389	0.7
83.01380	2.7
85.02936	0.7
93.03475	0.6
97.02929	0.6
97.06982	0.5
99.00848	0.8
105.74280	0.6
109.02927	0.9
111.00847	2.5
121.02953	1.2
123.00869	0.5
123.04537	0.9
125.02448	15.5
133.02994	0.7
137.02434	5.1
138.03214	0.7
139.00385	1.3
139.03996	1.8
140.01175	1.4
141.01941	4.9
150.03166	0.6
151.04028	1.4
153.01923	4.2
155.03502	0.8
161.02422	3.8
162.03207	0.7
163.03954	0.6
164.01198	1.1
165.01923	6.1
165.99086	1.5
166.02515	0.6
166.99773	0.8
167.03493	1.3
175.03928	0.7
177.01907	4.2
181.01416	6.9
182.02205	68.6
183.02969	70.1
184.03329	2.2
191.09038	0.6
193.05118	0.7
194.02264	1.2
195.03003	2.5
206.01988	0.6
207.02928	0.6
221.00885	2.3
222.01602	0.8
223.02295	0.7
232.03760	1.5
233.04497	1.0
257.04886	0.8
274.04816	1.8
275.05609	0.8
277.68323	0.5
287.05618	2.2
300.02646	2.7
301.03409	0.9
303.07208	1.0
304.75150	0.6
319.04544	0.6
344.05444	0.7
345.08243	100.0
346.08612	5.9
347.27933	0.6
395.09982	1.7
397.07434	0.8
423.09412	0.9
437.10846	1.6
463.08691	1.8
481.09827	13.7
482.10153	1.6
507.11359	9.4
508.11688	1.4
633.14612	9.6
634.15112	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	633.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72346	0.9
59.01379	1.5
61.74709	1.0
61.98816	2.9
70.87450	0.7
71.01378	2.0
78.95981	1.0
79.63963	0.8
88.98785	1.6
97.76469	0.9
100.07063	0.9
101.23743	0.9
125.09755	0.9
155.07170	0.8
171.10272	17.2
175.02446	1.1
177.06995	0.9
182.02126	4.8
182.44395	1.3
183.03000	3.9
185.11844	2.1
199.13326	1.2
201.11317	2.0
209.11792	1.8
211.13393	3.0
212.13733	1.7
217.08533	2.1
225.05580	8.0
225.11281	3.7
240.04294	2.1
241.04980	3.9
245.08136	1.1
247.07649	1.4
253.04941	1.2
253.09377	1.4
260.76999	0.9
262.06342	1.6
263.07068	1.9
269.04526	30.6
270.04916	2.0
281.04669	1.6
282.05545	1.2
285.04019	9.6
291.06625	21.8
292.06979	1.5
294.04907	1.4
296.03180	1.7
297.03998	32.8
298.04593	3.2
302.03268	1.1
305.11777	1.2
307.06143	11.7
307.13223	1.6
308.06796	7.8
309.07660	75.2
310.07990	5.4
317.78589	1.0
323.09296	1.6
323.12836	1.8
335.12909	3.7
345.08218	1.4
349.10910	1.5
351.12378	10.1
367.11838	10.8
368.12534	1.0
473.06235	0.8
473.11133	7.9
474.11737	1.8
490.11307	1.2
495.12946	3.5
499.18372	2.3
501.09979	2.4
502.11273	21.1
503.11404	2.9
511.12170	1.9
513.13922	27.9
514.14398	3.1
539.19232	3.6
540.19342	1.3
553.18250	3.0
555.18927	2.0
556.19440	100.0
557.19800	12.3
571.18390	5.2
572.18750	3.8
589.18939	7.3
600.18262	2.8
633.25305	1.4
650.47961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89936	0.3
59.01379	0.5
61.98823	0.6
70.95387	0.3
73.02940	9.7
75.00866	1.4
94.86653	0.4
99.00864	2.1
99.92580	11.3
100.92583	0.4
103.60555	0.4
114.93440	0.5
116.03522	0.4
116.07239	0.5
116.92855	100.0
116.97231	1.6
117.01933	18.9
117.05576	0.5
117.92875	3.5
192.42952	0.3
229.73721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18621	0.4
56.29935	0.5
59.00111	0.4
59.01387	1.3
67.46723	0.5
69.79850	1.2
69.80260	1.5
71.01387	0.7
71.52792	0.5
72.83471	0.4
80.72704	0.5
83.01379	0.8
89.02444	0.6
95.05056	1.1
97.02921	1.0
99.74364	0.5
101.02450	0.4
107.05041	0.9
108.02213	0.6
109.02933	4.8
121.02982	0.8
123.04508	3.4
125.02432	4.5
132.19795	0.5
134.03723	2.2
135.04523	85.0
136.04846	2.1
137.02400	2.3
145.02985	0.7
149.02428	1.1
151.04008	2.1
159.04488	0.6
161.02466	2.3
161.06035	0.7
163.04008	0.7
164.01195	0.8
165.01929	0.8
166.66925	0.5
177.01935	1.0
179.03491	100.0
179.29172	0.5
180.03831	2.7
187.03986	0.9
203.07143	1.9
205.05099	1.6
221.04524	0.6
227.07318	0.6
229.09958	0.6
245.08173	3.9
289.07187	22.4
290.07672	1.4
341.08713	35.7
342.09140	2.2
435.46255	0.5
446.35211	0.6
494.02841	0.8
632.06476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23061	0.7
59.01367	1.1
61.98838	1.6
63.44434	0.7
65.55204	0.8
70.15933	1.6
70.16354	2.7
98.20564	1.1
101.43494	0.7
130.54031	0.9
171.10297	1.2
182.02193	1.6
185.11844	0.9
201.11304	2.2
202.02136	0.8
203.56836	0.9
209.11760	1.9
211.13368	2.3
237.05579	0.8
238.06395	1.9
241.05122	1.3
250.06343	3.0
253.05116	2.8
254.05795	2.8
265.05011	3.2
266.05930	3.7
279.06738	1.8
280.03864	1.8
280.07385	3.5
281.04517	12.2
282.05258	8.8
290.05643	1.1
291.06607	2.6
293.04565	14.6
293.07944	1.3
294.05334	15.4
295.05530	1.8
303.06448	1.1
307.06287	2.4
307.13403	6.4
322.12189	1.5
323.12778	6.7
333.11319	1.9
345.08109	1.0
350.11414	1.1
351.12354	71.5
352.12662	7.0
393.13281	2.4
485.10788	3.5
486.11389	1.8
498.11627	1.4
513.17548	1.9
545.19714	1.0
555.18646	100.0
556.19012	13.7
587.21277	18.0
588.21478	1.9
631.27466	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	631.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62542	0.6
59.01379	4.5
68.60029	0.6
69.46704	4.4
71.01370	3.1
78.95887	0.8
82.62110	0.6
83.01386	0.8
85.02979	0.6
87.00878	0.8
89.02450	2.4
96.95975	0.7
96.96954	1.4
97.02938	1.1
101.02439	1.7
109.02939	2.2
119.03479	0.7
121.02901	0.8
123.04510	1.4
124.00455	0.5
125.02449	2.4
132.02124	0.9
133.02954	24.0
134.03354	0.8
135.04535	8.1
137.02422	0.9
139.12476	0.6
149.02490	0.9
149.06039	1.1
151.04056	0.9
161.02435	100.0
162.02802	2.5
165.01953	0.6
175.02379	0.8
177.01974	0.9
177.05551	1.3
179.03494	21.0
203.03490	2.5
203.07274	0.8
206.02296	0.8
221.04468	1.4
245.08151	1.3
251.05653	0.8
257.04507	0.7
281.06598	1.0
289.07202	9.3
341.08743	56.7
342.09119	3.1
369.08243	0.8
500.46570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45329	0.5
57.03438	0.6
59.01379	4.5
62.94941	0.5
64.88775	0.6
69.18327	2.2
69.18765	2.7
71.01382	3.2
83.01389	1.0
85.02949	1.1
89.02438	2.2
95.05033	0.7
97.02932	1.3
101.02434	1.7
103.55599	0.5
109.02947	4.0
113.02467	1.1
115.53411	0.5
117.03457	0.5
119.03487	1.0
121.02956	0.9
123.04521	2.5
125.02460	5.7
132.02177	0.7
133.02960	23.0
134.03308	0.5
135.04518	17.9
137.02425	2.0
138.03134	0.5
149.06105	1.0
151.04015	1.7
153.01979	0.8
161.02432	100.0
162.02809	3.8
164.01172	0.9
165.01878	1.4
175.02551	0.6
175.03972	1.8
177.01894	2.1
177.05557	1.2
179.03493	35.7
180.03862	0.8
183.03072	0.6
187.04022	0.8
188.04695	0.9
203.03500	4.7
203.07159	1.8
205.05060	1.5
220.24800	0.7
221.04503	1.9
245.08217	2.8
251.05417	1.0
281.06744	1.2
289.07184	17.5
290.07333	1.5
303.04950	1.0
305.12418	0.7
341.08701	48.3
342.09097	3.7
343.04578	0.9
511.78781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34984	3.3
57.03448	9.6
59.01387	17.9
66.28941	3.4
71.01378	8.6
71.52237	5.4
72.27156	2.9
75.82742	3.1
83.01396	4.7
89.02458	12.6
90.16498	3.6
96.95959	3.9
101.02443	7.3
109.02944	11.0
113.02451	5.0
119.03455	4.2
122.15027	3.5
123.04543	3.8
125.02448	100.0
137.02429	17.8
139.03984	9.5
149.02414	3.7
151.03969	7.0
153.01894	3.8
161.02440	11.2
164.01149	7.9
165.01904	10.1
167.03519	9.9
175.04004	8.0
177.01917	34.0
179.03506	11.0
187.04085	4.6
203.03529	4.0
205.05130	3.7
219.06636	6.2
243.02841	3.9
245.04536	4.1
245.08115	4.2
255.02939	9.6
283.02444	8.1
287.05670	6.8
289.07132	14.9
297.04181	4.7
303.05164	5.6
305.06662	44.1
306.06918	4.9
323.13474	60.2
361.46530	3.6
407.07687	21.8
423.07196	39.5
425.08856	24.8
441.08136	18.0
452.13782	3.2
467.09900	17.8
575.12372	3.8
593.12836	41.8
594.13977	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	629.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
58.00584	1.1
59.01376	31.4
69.16928	3.3
71.01379	18.8
71.01778	0.8
72.99301	1.0
81.49673	0.4
82.23071	0.3
83.01360	0.8
85.02948	3.8
87.00856	0.7
89.02440	21.8
93.97284	0.4
94.08652	0.3
95.01373	1.9
97.02606	0.4
101.02438	12.3
108.02143	0.5
109.02985	0.4
113.02444	8.0
119.03493	9.5
125.02441	4.0
131.03482	0.9
131.29807	0.4
137.02426	1.2
143.03461	0.5
153.01895	0.6
161.04549	0.5
165.01909	0.6
167.03506	0.5
177.01945	0.5
179.03421	0.5
179.05579	0.9
202.25287	0.5
229.09282	0.3
303.04803	0.4
305.06595	3.7
323.13443	100.0
324.13776	5.0
421.31555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03670	0.6
57.03446	10.7
58.64048	0.6
69.89658	0.6
69.89937	2.9
71.01366	0.8
81.03435	0.8
83.01398	1.2
93.03459	2.3
97.02968	1.6
98.20597	0.7
109.02950	6.5
111.08131	0.6
121.02953	4.6
123.04542	1.1
125.02441	100.0
126.02788	2.0
127.08752	0.7
128.03511	1.3
133.02927	0.7
137.02443	10.8
139.04024	0.7
149.02431	6.8
155.03398	0.7
163.00371	1.0
164.01175	4.0
165.01918	16.1
167.03529	1.5
177.01920	72.0
178.02246	2.4
179.03503	1.1
197.04539	13.9
197.06223	1.0
203.07124	1.1
205.05019	1.0
233.70570	0.6
245.08203	2.1
289.07166	9.9
303.05075	9.8
304.05344	0.6
335.07721	10.6
372.78809	0.6
397.62216	0.6
496.24371	0.7
625.28369	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	625.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.5
61.98824	8.6
63.02392	2.8
65.00317	5.5
69.30493	2.0
69.30895	9.5
71.01373	2.2
77.74525	1.2
83.01387	3.7
87.00885	1.6
88.74904	1.2
88.98798	5.7
93.03461	5.9
97.08686	1.4
98.19959	2.6
99.05685	1.4
107.01390	14.6
109.02946	3.1
109.47021	1.2
115.00371	2.6
116.92858	4.2
121.02940	5.0
123.04473	1.4
124.01631	4.6
125.02436	5.0
127.05281	1.7
132.52110	1.2
133.01476	4.3
133.02933	3.5
135.04541	2.2
137.02420	2.4
143.04613	1.3
145.02950	3.6
149.02457	3.1
151.00360	52.1
152.01152	11.8
153.01930	3.5
161.02409	5.6
163.00406	2.5
165.01871	6.3
167.03465	2.2
169.01424	1.6
175.03964	1.5
176.98260	1.1
177.01869	1.8
178.99837	24.9
182.02266	1.9
183.02969	2.4
193.01384	2.1
193.05083	9.4
201.01880	1.5
204.04156	1.8
211.07718	1.9
213.02011	1.4
225.05643	2.7
227.03430	10.0
229.05023	2.6
232.42986	1.2
237.05577	1.6
239.07112	1.4
240.04295	1.5
243.02942	2.8
253.04993	1.6
255.02950	19.9
256.03485	1.9
265.05136	2.2
265.14404	1.7
271.02463	11.3
273.04095	1.8
277.05060	1.7
279.02982	1.9
279.08871	1.9
283.02463	2.4
284.03223	11.0
285.03998	10.1
295.06055	6.9
299.01917	4.0
300.02768	19.4
301.03500	58.2
302.03787	4.7
309.03979	2.2
311.01996	4.0
325.03433	2.1
326.67734	1.3
335.01904	1.4
336.02719	1.5
345.08194	2.1
353.03159	8.4
354.03568	1.4
388.05505	1.4
401.06842	1.5
403.07748	1.4
405.05997	4.2
419.03677	1.6
429.06238	2.3
431.09702	19.6
432.10294	1.8
447.07166	100.0
448.07663	7.7
460.02673	1.2
461.08932	3.6
463.08899	11.6
479.10034	4.7
531.11578	8.7
565.09521	2.0
593.13074	22.4
594.13361	2.5
625.12854	15.5
625.25873	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26366	0.4
59.01380	0.8
61.98825	0.5
63.02389	0.5
65.00331	1.3
69.93958	0.8
69.94347	0.7
71.01370	0.9
72.99307	0.9
76.58640	0.4
78.95868	0.3
80.57594	0.3
83.01397	0.4
84.28218	0.4
87.00849	0.3
88.98814	1.4
89.02457	0.5
101.02451	0.4
107.01385	2.0
109.02954	0.9
110.70284	0.4
111.53306	0.4
116.92850	0.7
121.02969	0.6
124.01633	2.1
125.02418	0.7
135.00868	0.6
136.01646	0.8
137.02423	2.2
148.01585	0.5
151.00369	7.8
152.01131	1.4
153.01964	0.5
161.02406	0.9
163.00356	1.9
164.01146	1.9
165.01965	0.4
167.03377	0.4
169.01353	0.4
175.04047	0.4
176.19405	0.4
178.99849	7.9
193.01410	0.5
197.03905	0.4
199.13411	0.5
203.03503	1.5
204.04272	0.7
214.02667	6.3
215.03351	1.1
227.03516	1.2
227.12952	1.9
231.03177	0.5
232.03651	0.7
242.02156	5.2
243.02966	4.5
244.03333	0.5
255.02888	1.4
259.02426	5.9
270.01657	6.4
271.02454	41.4
272.02774	2.0
285.04147	0.4
287.01962	21.8
288.02499	2.1
289.03604	0.5
299.01889	1.2
300.02673	5.4
301.03458	1.6
315.01395	0.5
316.02213	95.2
317.02820	13.7
318.03168	0.7
338.38611	0.4
397.13641	0.5
415.14221	0.4
416.76724	0.4
430.92361	0.4
463.08688	0.5
488.39838	0.4
625.14038	100.0
626.14459	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84082	0.6
59.01374	3.3
65.00313	1.0
68.99802	0.6
69.08727	0.7
69.94373	2.2
71.01374	2.2
73.02927	1.7
80.99778	0.7
81.51324	0.7
83.01389	0.8
87.00879	0.8
88.98788	0.8
89.02430	1.8
95.01354	1.2
98.19892	0.8
99.92561	0.8
101.02417	1.8
107.01355	1.1
110.00095	6.8
110.87555	0.7
111.00877	4.1
113.02435	1.2
116.92850	12.9
123.00855	1.7
125.02431	1.1
128.80244	0.6
130.81645	0.7
132.24451	0.7
133.02985	0.9
135.00893	0.8
135.04533	0.7
136.98801	1.4
137.02449	0.8
137.99574	2.6
139.00374	11.8
146.03690	1.0
151.00334	5.6
153.01942	0.8
159.04489	1.6
161.02463	1.4
163.00320	1.4
164.01140	1.0
164.98318	0.6
165.99065	10.3
166.99846	5.8
171.04474	1.8
174.03131	1.0
175.03943	0.8
178.99844	7.3
179.05768	0.8
182.02182	0.7
183.02953	0.8
183.04469	1.6
187.04106	1.0
193.01465	0.8
194.99300	1.9
198.03241	1.9
199.03934	3.1
201.01892	6.9
203.03506	4.1
209.11816	2.0
211.03961	1.1
215.03453	2.4
226.02704	0.9
227.03481	7.5
227.12978	1.0
229.01480	1.0
230.02197	0.8
231.02934	4.7
232.03821	0.7
242.02124	3.2
243.02992	6.9
244.03679	2.3
245.04526	0.7
253.01328	0.7
255.02896	3.7
259.02460	2.1
270.01694	5.8
271.02448	87.7
272.02875	4.0
287.01959	24.6
288.02542	3.0
299.01938	100.0
300.02368	5.1
301.03458	1.1
316.02206	48.1
317.02975	20.6
318.03238	0.7
397.13379	1.3
402.46216	0.7
507.13477	1.8
565.25043	2.1
581.21039	1.6
625.14044	88.7
626.14288	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89774	1.5
59.01394	3.4
59.22615	1.6
61.98818	3.3
67.14743	1.4
71.01381	18.9
71.52742	2.2
72.99309	5.6
85.28405	1.7
88.98824	1.7
89.02406	2.8
91.40851	1.7
115.00369	50.9
125.02410	1.9
132.86786	5.7
133.01428	100.0
134.03723	1.6
141.01846	2.0
151.00294	3.2
153.02008	2.1
160.01587	1.8
161.02470	4.0
165.01889	2.1
181.01427	3.8
182.02206	25.4
183.02991	27.8
183.57382	1.6
191.03516	1.6
211.74664	1.6
224.26854	1.8
227.03601	3.0
228.03877	3.2
255.02983	7.3
256.03378	7.6
257.03418	4.6
275.24268	1.5
280.86493	1.5
284.03284	7.0
285.03806	11.1
286.03928	9.0
287.04578	3.1
300.02704	4.5
301.03549	11.5
323.07663	1.8
324.08154	1.8
325.08228	2.8
345.08209	46.8
346.08762	2.8
463.08899	5.8
509.56131	2.0
625.14618	19.5
625.24518	2.9
653.62469	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	625.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10161	0.4
54.65386	0.4
59.01399	0.9
61.98837	0.9
63.02391	2.7
65.00322	5.3
69.28010	2.2
69.28434	1.7
71.01398	0.9
74.02464	0.5
74.61263	0.5
83.01395	3.9
85.83301	0.4
88.98829	0.5
90.86411	0.4
93.03468	2.7
95.32265	0.4
99.92634	0.6
107.01395	11.2
109.02936	2.4
115.00404	0.7
116.92850	4.3
118.04293	0.5
121.02963	9.7
121.03759	0.7
123.04585	0.5
124.01709	0.6
125.02467	1.8
130.05771	0.4
133.01433	1.4
133.02988	1.4
135.04555	0.7
137.02478	0.7
139.04005	0.7
141.94826	0.4
145.02980	1.1
148.01701	0.5
149.02461	1.7
151.00368	41.1
152.01097	1.9
153.01936	0.8
159.04568	0.7
161.02435	2.9
163.00369	2.4
163.04073	0.6
165.01981	0.7
167.03539	0.9
169.01460	1.9
175.04031	0.5
177.01952	0.9
178.99855	19.6
183.04518	0.7
183.13861	0.6
185.06100	0.6
187.04021	0.7
193.01427	1.0
193.05144	2.5
193.06648	0.4
199.04114	0.9
201.01888	0.9
201.05678	0.7
203.03600	1.3
211.03990	1.8
212.04605	0.6
227.03561	3.9
229.05060	1.9
239.03441	0.5
243.02962	1.8
245.04541	2.5
255.02986	7.2
257.04532	0.8
271.02478	9.7
272.03220	0.9
273.04053	2.5
273.07825	0.5
279.08893	0.7
283.02426	1.9
284.03217	3.1
285.04013	3.6
295.05899	1.1
297.73462	0.4
299.01971	5.8
300.02728	9.3
301.03522	100.0
302.03879	3.9
323.07724	0.5
327.07266	0.5
353.03085	1.7
354.03470	0.6
405.06238	0.8
431.09695	4.1
447.07266	12.0
448.07501	0.6
461.09381	0.4
463.08780	10.0
464.09189	0.6
531.10626	0.9
593.12964	1.8
594.13367	0.6
625.11829	16.2
625.26056	0.8
626.12146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78365	0.4
58.15168	0.4
61.54149	0.4
61.98808	0.6
63.02399	0.9
65.00325	1.9
71.52409	0.7
80.86819	0.4
83.01395	1.3
93.03468	0.7
95.78035	0.4
99.92577	3.9
105.76387	0.4
107.01390	3.9
108.02206	0.6
109.02948	1.7
113.23270	0.4
116.92860	39.6
117.92914	2.3
121.02966	2.8
133.02965	2.7
135.00870	1.1
135.04507	2.8
148.01700	1.0
149.02446	0.7
151.00365	15.5
153.01952	0.5
161.02446	10.3
163.00391	2.5
164.01166	1.0
169.01486	0.5
178.99860	8.3
179.03503	1.6
182.02211	1.4
183.02934	1.7
183.04430	0.7
187.04042	0.5
190.99899	0.5
201.05507	0.7
203.03423	0.5
211.04004	1.2
216.04234	0.7
226.02689	1.0
227.03566	2.3
229.05008	0.5
231.02827	0.4
242.02515	0.4
243.03000	7.8
245.04538	0.8
254.02264	1.5
255.02980	21.3
256.03409	1.0
271.02466	42.6
272.02969	3.1
273.04031	1.3
283.02524	1.6
299.02084	1.2
300.02734	100.0
301.03485	64.5
302.03769	2.9
323.07693	2.8
334.55359	0.6
345.08203	4.9
463.08804	72.2
464.09137	5.9
593.74670	0.4
602.42621	0.5
624.73425	0.8
625.11938	56.2
626.12341	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	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03439	1.4
59.01376	13.7
60.10761	0.5
61.98823	1.6
69.03462	1.1
71.01379	16.5
72.99294	1.5
73.02938	4.8
83.01390	2.8
83.05020	2.1
85.02946	5.1
87.00874	5.6
89.02444	7.6
95.01384	1.4
95.05014	0.7
97.02935	0.9
97.06586	1.4
99.00868	1.4
101.02436	10.5
106.04125	0.7
107.08698	0.5
107.15952	0.4
109.06589	1.8
111.00796	0.8
111.08130	1.4
113.02444	6.5
115.03985	0.5
119.03487	1.7
124.01666	0.5
125.02428	2.1
129.02007	0.5
133.05034	1.2
135.08167	1.5
136.08424	0.5
137.09692	2.3
143.03481	0.8
145.05089	3.3
161.04546	3.2
161.09709	0.6
177.12741	0.8
179.05586	1.7
179.14398	0.8
181.12344	0.7
182.02232	1.1
183.02901	1.2
184.03087	0.6
203.14389	1.7
211.13385	1.5
213.14914	1.2
221.15367	0.6
231.17592	0.6
235.08174	9.8
235.10410	0.9
237.14986	1.4
237.18452	0.6
239.16524	2.2
241.18071	1.0
243.17577	0.5
247.13196	0.9
247.17070	0.7
249.14838	0.7
253.09392	0.7
265.18198	1.3
275.16559	1.9
277.18124	0.8
313.25113	0.7
315.26895	3.9
325.25400	6.1
326.25717	0.5
341.24765	3.5
343.22748	0.8
343.26431	5.7
351.23254	2.4
359.25851	10.1
360.26144	0.8
361.27460	1.7
369.24301	11.9
370.24823	0.8
377.26968	1.0
387.25388	45.3
388.25833	3.5
405.26434	34.3
406.26721	2.3
446.43774	0.5
461.29352	1.0
479.30124	2.1
547.22711	0.7
595.34406	1.9
605.33435	1.4
623.34351	100.0
624.34711	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	623.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26108	0.4
61.98822	0.7
67.01893	0.5
69.03440	1.3
70.69332	1.2
70.80435	0.5
71.01386	1.0
76.92261	0.4
77.03957	1.5
81.03442	0.8
83.01377	2.7
85.02961	0.6
85.82989	0.4
90.93815	0.4
93.03493	0.5
95.01403	0.9
97.02930	1.3
99.00878	1.4
109.02945	1.4
110.00092	1.8
111.00888	3.7
113.89238	0.4
121.02948	2.0
123.04522	0.8
125.02437	0.8
135.47313	0.4
136.98790	0.7
137.02434	8.6
139.00351	3.7
139.03955	1.1
139.37628	0.4
140.01149	1.0
141.01926	4.3
150.03177	0.5
151.03990	1.3
153.01904	5.6
155.03384	0.6
163.04082	0.4
165.01915	9.1
165.99057	3.9
166.02600	0.7
166.99864	1.9
167.03452	0.6
176.64371	0.4
181.01405	9.2
182.02196	100.0
183.02965	89.3
184.03336	3.1
194.02121	1.1
195.02963	1.7
207.02988	0.6
225.04037	0.8
295.22830	0.9
327.07220	1.7
331.28323	0.4
345.08289	0.7
370.81512	0.5
385.07916	0.4
568.94885	0.5
623.30652	99.0
624.31195	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	623.343
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01872	0.8
57.03442	1.9
58.00589	0.7
59.01377	16.0
61.98837	0.4
68.99809	0.2
69.03465	1.7
71.01379	17.0
71.05015	0.6
71.52558	0.3
72.99314	1.4
73.02945	4.7
81.03458	1.0
83.01383	2.2
83.05021	2.1
85.02950	5.5
85.06618	0.2
86.00101	1.1
87.00877	6.4
89.02441	8.3
90.16591	0.2
91.04012	0.6
92.36151	0.2
93.03458	0.6
93.07073	0.3
95.01378	1.6
95.05010	1.0
97.02943	1.5
97.06599	1.0
99.00891	1.0
99.04527	0.4
101.02440	11.6
103.04018	0.3
106.04219	0.4
107.05056	0.8
109.02962	0.3
109.06573	2.3
111.00831	0.5
111.04531	0.8
111.08161	1.9
113.02445	7.5
115.04000	0.5
117.07113	0.3
119.03491	1.7
119.08585	0.2
119.80234	0.2
120.64989	0.2
121.10225	0.4
123.08166	0.8
125.02436	1.5
125.09751	0.4
129.01952	0.3
131.03455	0.6
133.05042	1.0
133.06606	0.5
135.08153	2.1
137.09703	2.2
138.92635	0.3
139.07664	0.3
139.11307	0.5
141.01880	0.4
143.03506	0.9
145.05052	4.4
145.06212	0.4
149.04523	0.3
157.05089	0.3
161.04543	4.0
161.09691	0.7
163.11301	0.5
165.12869	0.4
177.12885	0.3
179.05574	1.7
179.14452	0.4
181.12302	0.5
182.02144	0.3
183.02850	0.3
183.14021	0.3
185.03723	0.2
187.91042	0.2
195.17462	0.3
199.13237	0.3
203.14369	1.7
203.18138	0.3
205.15981	1.0
207.17459	0.4
209.15511	0.4
211.13371	1.3
213.14912	1.6
217.36772	0.3
219.14009	0.4
221.15495	0.6
221.19104	0.3
223.17038	0.3
225.14964	0.3
231.13892	0.5
231.17580	1.7
233.15324	0.3
235.05811	0.6
235.08199	11.1
237.14885	1.1
237.18520	0.6
239.16452	2.9
240.16843	0.4
241.18044	1.3
243.17596	0.3
245.19046	0.5
247.13364	0.8
247.17117	0.7
249.14876	0.6
249.18579	0.4
251.16545	0.5
251.20325	0.3
257.19232	0.3
261.18509	0.5
263.16440	0.4
265.18137	2.4
265.21082	0.4
267.19687	0.8
271.20663	0.3
273.18652	0.4
275.16501	2.8
277.18100	1.2
279.19574	0.4
287.20096	0.3
289.18088	0.5
289.21484	0.3
293.21185	0.7
299.23959	0.3
313.25229	0.8
315.26901	3.5
316.27267	0.4
317.28448	0.6
325.25345	5.9
326.25647	0.5
333.27914	1.2
341.24792	3.9
343.22269	0.4
343.26398	7.3
344.26666	0.6
351.23312	2.6
352.23468	0.5
359.22266	0.2
359.25876	9.5
360.26230	0.9
361.27466	2.6
369.24316	12.2
370.24777	1.1
377.27158	1.3
387.25372	47.6
388.25653	3.7
405.26410	36.3
406.26743	2.9
429.26779	0.4
447.27414	0.4
461.28973	0.4
479.30246	2.0
595.34497	1.7
596.35620	0.4
605.33313	1.4
623.34302	100.0
624.34692	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	623.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39537	0.5
59.01374	0.9
61.98824	4.2
63.02398	2.4
63.38765	0.5
65.00321	4.4
70.99887	0.9
71.01425	0.5
83.01385	2.9
89.03925	0.6
91.01892	1.0
93.03465	1.4
107.01385	7.7
108.02187	1.7
109.02953	4.7
116.92890	1.2
117.03467	1.6
119.01379	1.0
121.02954	7.3
125.02441	0.9
133.03000	0.7
134.03738	17.7
134.04741	1.1
135.00914	1.2
135.04526	1.1
139.04008	1.0
143.04955	0.6
145.03053	0.6
148.01704	1.6
149.02402	1.5
149.06068	1.1
151.00362	29.8
152.00772	0.5
159.04507	1.1
160.01627	0.7
161.02415	2.3
163.00366	5.4
163.04022	0.6
164.01089	1.3
165.01964	0.7
169.01447	1.0
171.04469	1.1
173.06061	0.6
174.03323	0.6
175.02608	0.6
175.04053	1.5
176.27760	0.5
178.99850	17.3
180.00180	0.6
182.02159	0.8
183.02951	1.4
183.04536	1.5
185.06142	0.6
187.04021	1.5
190.02727	0.5
192.00668	0.9
193.05043	7.9
199.04024	2.7
201.01932	1.2
201.05563	1.0
203.03465	0.8
207.10220	1.0
209.11855	0.8
211.04001	3.0
215.03500	1.4
216.04245	0.7
225.11469	0.7
226.02727	1.6
227.03497	6.6
228.04137	0.6
229.01450	0.6
229.05086	2.1
237.07626	0.7
239.03442	1.0
243.02975	13.1
244.03563	0.6
245.04576	3.3
254.02173	1.6
255.02975	29.1
256.03479	1.6
257.04480	0.6
271.02466	60.9
272.02991	4.5
273.04083	2.5
283.02457	2.7
285.03995	0.9
299.01987	16.4
300.02731	95.2
301.03494	100.0
302.03839	5.6
307.08057	0.7
315.05075	8.4
349.06451	0.5
353.10605	0.6
425.14560	0.8
429.08267	5.3
430.08508	0.8
443.15634	2.2
447.09271	8.6
448.09576	0.8
593.18323	0.5
605.19983	0.5
623.13977	68.8
624.14307	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76249	0.3
57.03424	0.4
59.01374	1.8
63.02386	2.1
65.00319	3.6
68.99792	0.3
71.01389	2.6
71.52291	0.6
72.99295	0.4
83.01383	2.5
85.02965	2.0
87.00846	0.5
89.02463	0.5
90.00916	0.3
91.01865	0.5
93.03456	0.7
95.01384	0.6
96.96011	1.8
99.00840	0.9
103.00323	0.7
107.01389	7.6
109.02958	3.5
113.02461	1.8
115.00267	0.3
119.01431	0.4
121.02940	5.9
133.06949	2.8
135.00867	0.6
137.02338	0.3
149.02394	0.9
151.00365	30.1
152.00719	0.7
159.04449	0.5
161.02420	1.3
163.00377	4.3
163.04010	0.6
164.01051	0.7
167.04956	0.3
169.01376	1.0
173.05945	0.4
175.02444	1.5
178.69615	0.3
178.99855	14.1
180.00284	0.5
183.02908	1.3
183.04466	1.0
185.06041	0.4
187.04016	0.6
187.09691	0.6
190.99756	0.6
191.07277	0.5
192.00644	0.5
193.01410	0.7
201.05544	1.3
203.03435	0.5
203.07452	0.4
207.10191	0.4
211.04018	1.9
214.02637	0.3
221.00800	0.7
221.08421	0.5
225.11327	1.6
227.03485	2.0
229.05014	1.9
239.03363	0.8
243.02983	0.4
245.04541	2.9
252.02997	0.3
255.02975	4.8
255.77092	0.3
256.03589	0.7
257.04489	0.8
263.09558	1.3
266.02271	0.4
271.02484	1.2
273.04041	2.9
283.02487	2.8
299.01932	0.7
300.02692	2.2
301.03500	100.0
302.03900	5.1
315.07346	0.8
343.04691	0.4
439.08752	0.4
447.09369	3.6
459.05521	0.6
477.06717	67.1
478.07022	5.8
563.23938	0.4
623.14874	2.2
623.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65370	0.4
57.03440	0.7
59.01367	2.7
61.98833	0.6
63.02394	3.1
65.00319	5.0
68.99799	0.8
69.36120	3.7
71.01383	8.0
72.99315	0.8
83.01385	3.5
85.02953	3.9
87.00893	0.6
91.01913	0.6
91.19618	0.4
93.03471	1.4
95.01425	1.1
99.00872	3.6
99.01332	0.3
99.63769	0.5
103.00396	1.3
107.01382	9.8
108.02214	0.6
109.02963	3.6
113.02461	3.3
115.00374	0.7
117.03465	7.7
119.01479	0.5
119.05019	6.3
119.13748	0.4
121.02963	8.4
125.02474	1.3
125.06120	0.4
130.77513	0.4
133.02988	0.8
135.00885	0.7
137.02412	0.5
139.04016	0.9
145.02960	33.9
146.03316	1.0
147.04561	0.5
148.01685	0.7
149.02463	1.6
151.00369	43.0
152.00728	0.5
157.01448	0.9
159.03107	0.9
159.04503	1.3
161.02475	1.7
163.00381	3.9
163.04005	5.9
164.01208	1.3
165.66884	0.4
167.05141	0.4
168.25777	0.4
169.01434	1.5
175.02507	4.6
175.04005	1.0
178.99860	18.3
180.00241	0.8
183.04507	1.3
185.06113	0.9
187.04001	1.5
188.04454	0.6
190.99928	0.6
192.00743	0.5
193.01595	0.5
199.04005	1.5
201.01974	0.5
201.05589	1.6
203.03571	1.4
211.03949	2.1
215.03493	0.6
217.05157	0.8
226.02739	0.9
227.03519	3.5
229.05009	2.9
239.03502	0.7
243.02986	5.8
245.04543	2.9
254.02267	1.1
255.02983	17.7
256.03635	1.2
257.04691	0.7
271.02472	31.8
272.02921	2.2
273.04092	3.1
283.02512	3.1
293.24466	0.5
299.01971	6.1
300.02737	47.4
301.03506	100.0
302.03845	6.2
321.06119	8.6
322.06573	0.6
382.66025	0.5
459.05664	82.0
460.06039	6.9
477.06613	2.8
623.10278	32.3
624.10687	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	623.125
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
51.64884	0.3
57.03443	1.1
59.01379	6.8
61.27068	0.3
61.98812	0.4
63.02393	4.3
64.40156	0.4
65.00331	2.2
67.01903	0.4
67.48726	0.3
69.51830	2.3
71.01379	9.9
72.99303	0.8
75.00865	1.8
80.40276	0.4
83.01392	4.3
84.02161	0.4
85.02948	12.6
87.00873	2.1
88.98830	0.8
89.02443	1.4
93.03459	1.2
95.01392	4.6
96.95992	2.3
98.19965	0.7
99.00877	4.0
101.02406	0.4
103.00375	3.1
107.01386	9.4
109.02917	0.4
113.02447	18.6
115.00388	1.2
117.01933	1.4
123.00903	1.2
125.02419	0.3
129.01976	0.7
132.02165	0.7
133.02934	0.4
135.00929	0.6
137.02419	0.7
139.00385	0.5
145.02965	0.7
151.00366	26.7
151.34018	0.4
152.00659	0.9
153.01930	0.4
163.00359	2.1
164.01131	2.5
169.01419	2.7
169.06570	0.6
171.04453	0.4
175.02469	9.8
185.06119	1.0
196.00037	0.6
197.06047	0.4
199.04022	0.6
206.08191	0.5
207.51939	0.4
213.05566	2.5
223.50601	0.4
225.11177	0.4
227.03477	2.8
229.05052	4.6
240.04207	0.7
241.04999	1.6
255.02936	6.4
256.03583	1.1
257.04556	11.1
258.04895	0.5
264.26700	0.3
283.02435	0.4
284.03250	21.8
285.04022	100.0
286.04376	5.4
313.07886	0.4
327.05112	1.7
447.09296	35.6
448.09720	3.1
461.07193	16.2
462.07559	1.4
503.08264	0.8
521.66547	0.4
623.12439	22.0
624.12933	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98835	1.3
63.02392	2.6
65.00311	5.2
69.51027	6.1
71.01379	9.0
83.01382	2.8
85.02952	3.4
87.00873	1.2
88.98832	1.7
93.03426	1.8
99.00871	3.3
103.00360	1.6
107.01385	13.1
109.02939	4.1
113.02425	3.7
115.00368	1.9
117.03475	8.4
119.05019	6.6
121.02950	9.0
130.23250	1.2
133.02917	2.2
145.02942	32.1
149.02431	3.9
151.00356	39.0
159.04445	1.4
161.02414	10.8
163.00313	2.1
163.04018	5.5
164.01071	1.7
169.01505	1.5
175.02437	4.2
178.99846	17.3
183.02913	1.3
187.03972	1.6
203.03445	2.3
211.04034	1.5
227.03583	2.8
229.05081	1.6
243.02905	5.6
245.04526	1.5
254.02264	1.1
255.02930	16.8
271.02444	30.9
272.02911	2.4
273.04132	1.4
283.02359	3.3
299.01944	5.7
300.02734	45.2
301.03488	100.0
302.03851	6.3
321.06024	7.5
337.05621	2.7
366.77484	1.5
459.05649	89.7
460.06131	5.5
477.06366	2.1
623.10297	34.8
624.11285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26681	0.7
60.99303	0.8
61.98822	0.7
65.00308	1.3
69.99268	2.2
69.99672	1.2
70.26173	0.6
78.95924	0.7
84.87147	0.6
88.98813	2.6
98.19950	0.7
109.02946	2.0
125.02486	1.2
136.98798	1.0
137.02417	1.5
152.01149	1.5
153.01933	14.5
153.99072	1.7
154.99855	2.4
167.03464	1.6
169.01385	3.3
181.01416	30.3
182.01970	1.7
193.01384	3.5
195.03040	1.4
197.00903	18.0
198.01683	100.0
199.02438	18.5
200.02751	1.0
209.00851	0.9
211.02484	1.9
223.02367	1.2
400.01865	0.8
574.24487	0.8
603.28516	1.3
621.29047	57.4
622.29279	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	623.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
58.00583	0.1
59.01105	0.2
59.01380	2.1
61.32977	0.1
63.02386	0.2
63.93524	0.1
67.01872	0.2
68.99815	0.1
69.44902	0.2
69.45303	0.7
71.01379	4.1
72.86949	0.1
72.99307	0.5
73.02946	0.3
75.00873	0.3
83.01352	0.1
84.02166	0.1
85.02946	4.2
86.23289	0.1
87.00869	0.9
88.98808	0.1
89.03960	0.2
95.01398	0.9
99.00883	0.6
103.00368	0.8
105.03437	0.3
107.01385	0.3
109.02943	0.5
111.00883	0.2
113.02444	4.8
115.00356	1.0
115.01892	0.2
117.03489	0.3
121.03017	0.2
129.01936	0.2
132.02193	0.9
133.02951	21.4
134.03207	0.6
135.04523	6.9
136.04846	0.4
137.02409	0.3
139.00375	0.2
145.02916	0.3
145.06517	0.1
147.04524	0.3
149.06064	0.4
151.00366	0.3
157.01474	0.2
159.04492	0.3
161.02432	100.0
162.02769	3.1
163.00391	0.2
163.03983	0.4
171.04523	0.2
173.06061	0.2
175.02469	2.8
175.03993	0.7
177.05547	0.7
179.03484	3.0
185.06049	0.3
187.03964	0.3
189.05501	0.2
191.03561	0.3
201.05611	0.2
203.03461	1.3
211.04013	0.2
213.05647	0.3
217.05060	0.4
219.02968	1.4
227.03468	0.6
229.05022	0.6
233.04504	0.3
241.05057	0.2
245.04535	1.6
255.02930	0.9
257.04587	0.5
276.23557	0.1
277.03607	0.4
284.03241	0.9
285.04031	6.4
286.04092	0.2
305.77527	0.1
337.05621	36.1
338.05957	2.0
358.85812	0.1
443.06134	1.6
444.06506	0.2
461.07187	0.7
481.05283	0.2
609.81567	0.1
623.10364	4.3
624.10791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27688	0.3
57.03426	0.4
59.01377	0.6
61.98816	0.3
64.52784	0.3
67.01908	0.3
68.99823	0.3
69.42773	1.9
69.70094	0.3
71.01377	1.1
77.03958	1.7
81.03449	0.6
83.01386	2.5
85.02946	0.6
93.03460	0.4
95.01387	0.9
95.05030	0.5
97.02946	1.3
98.20651	0.6
99.00886	1.8
99.04501	0.5
107.04999	0.3
108.02161	0.5
109.02945	1.0
110.00104	1.9
111.00880	4.1
113.02442	0.4
116.92859	0.4
121.02968	2.8
123.00900	0.6
123.04540	0.6
125.02434	0.7
136.98795	1.0
137.02440	8.4
137.99557	0.3
139.00354	4.0
139.03947	1.5
140.01152	1.0
141.01923	4.0
141.99129	0.3
150.03180	0.4
151.04004	0.9
153.01924	5.9
164.01158	0.4
165.01915	9.6
165.99060	3.9
166.02599	1.0
166.99820	1.9
167.03568	0.6
177.01886	0.7
180.99812	0.3
181.01424	10.2
182.02196	100.0
183.02963	92.2
183.06308	0.5
184.03294	2.6
186.01672	0.3
193.05049	0.4
194.02171	1.1
195.03046	1.5
207.02954	0.8
224.67018	0.3
225.04002	0.6
289.75272	0.3
293.21362	0.6
327.07175	1.6
345.08240	0.7
455.15240	0.3
463.77435	0.3
621.29095	84.2
622.29407	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	621.2714
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
61.63879	0.2
64.76798	0.2
69.43983	0.2
70.38018	0.8
73.54339	0.2
91.14245	0.2
93.57732	0.2
96.88234	0.2
98.51127	0.2
98.94627	0.3
190.05214	0.3
326.12708	0.3
403.15582	0.3
431.14539	0.3
432.15707	0.3
445.16684	2.0
446.17419	2.7
447.17578	0.3
459.22287	2.4
460.18951	8.6
461.19800	22.4
462.20068	2.0
474.20508	1.3
475.21439	3.4
476.22021	0.5
505.18539	0.4
519.20325	11.8
520.20831	2.3
533.21655	1.1
534.22662	0.5
535.23474	0.4
606.25061	0.7
621.27148	100.0
622.27423	15.3
638.23511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25610	0.3
60.29193	0.3
65.00333	0.6
68.99822	0.5
70.82265	0.4
70.82585	0.3
71.01381	1.0
77.03960	1.4
81.03483	0.6
83.01380	2.7
83.71046	0.2
85.02960	0.6
93.03458	0.6
95.01385	0.8
95.05019	0.3
97.02933	1.4
99.00875	1.6
102.40742	0.3
108.02132	0.5
109.02944	1.0
110.00092	2.0
111.00875	4.4
111.04523	0.4
113.02459	0.5
118.73118	0.3
121.02936	2.8
123.00887	0.6
123.04491	0.6
125.02493	0.5
128.50055	0.3
131.38693	0.2
136.98817	0.7
137.02440	8.6
138.03238	0.5
139.00378	3.3
139.03986	1.3
140.01187	1.3
141.01944	4.8
151.03995	0.8
153.01932	6.5
155.03482	0.3
163.04045	0.4
164.01219	0.4
165.01920	9.0
165.99069	3.8
166.02696	1.8
166.99828	2.1
167.03456	0.7
179.03487	0.3
180.99785	0.4
181.01425	11.7
182.02205	100.0
183.02968	90.0
184.03310	2.6
186.01671	0.5
190.09541	0.3
193.05011	0.5
194.02216	1.5
195.03023	1.7
195.63501	0.2
205.75079	0.3
207.03029	0.5
217.40076	0.2
225.04134	0.5
293.21207	0.8
314.60895	0.3
327.07196	1.4
345.08282	0.5
383.50220	0.3
384.08356	0.3
552.21918	0.3
603.28778	0.3
621.29083	84.0
622.29449	12.0
622.39764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53043	3.8
59.01374	8.6
61.98834	14.9
67.78722	3.5
70.60883	2.7
71.01372	6.0
75.00869	4.6
78.95899	16.1
89.02441	3.4
98.20759	6.2
108.78806	2.8
111.00849	3.5
125.98835	2.8
136.51228	3.2
137.02394	5.4
141.01994	5.9
145.02893	3.1
153.01938	5.6
165.01859	9.6
166.65984	3.1
171.00610	6.8
171.10228	12.7
175.06001	3.4
181.01407	5.9
182.02196	100.0
183.02960	77.0
231.33920	3.4
255.06396	5.8
383.22183	3.8
384.22504	4.0
513.19678	6.3
539.21075	9.6
551.72998	3.4
557.22278	92.5
558.22681	16.2
620.31702	13.7
621.32959	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	620.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26091	2.0
59.01390	2.6
61.98831	12.7
71.01385	2.5
71.19286	5.0
75.00877	5.2
83.01394	3.7
89.02461	2.8
137.02452	7.0
139.00417	2.8
141.01903	6.0
153.01881	5.1
158.93697	2.7
165.01892	6.5
181.01408	9.9
182.02200	100.0
183.02965	83.2
184.03336	3.2
197.11702	2.5
209.08099	3.5
263.08942	3.1
280.09372	2.4
327.07123	2.7
381.11740	2.6
385.23828	3.4
410.05591	2.8
425.14316	2.9
426.14822	6.2
443.15833	3.2
444.16016	6.1
458.17123	5.0
525.19537	16.4
543.36462	2.5
557.22345	87.3
558.22772	7.4
620.31665	6.6
621.32422	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23147	0.4
53.96766	0.4
57.74913	0.4
60.37639	0.4
62.78486	0.4
66.08274	0.4
66.52654	0.4
67.07172	0.4
69.60012	2.2
79.68702	0.4
107.19915	0.4
112.15578	0.4
112.34055	0.4
113.61826	0.4
117.03454	1.7
141.01956	0.6
145.02957	6.2
152.01138	0.6
152.99602	0.4
153.01901	0.6
163.04025	0.9
168.00603	0.8
169.01329	0.8
181.01360	1.0
198.01620	1.5
199.02490	0.7
289.50040	0.4
445.16574	1.8
446.17450	2.9
459.22430	2.4
460.18915	8.0
461.19754	24.0
462.20221	2.2
474.20401	1.2
475.21252	3.8
476.21924	0.5
519.20276	11.9
520.20374	1.9
533.22192	1.3
534.23053	0.6
535.23248	0.7
549.48370	0.5
585.30524	1.1
621.27155	100.0
622.27411	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13604	0.7
57.03441	0.8
59.01373	9.1
61.98820	1.1
65.03954	2.2
69.03455	0.9
71.01375	7.7
73.02934	1.1
78.95905	1.0
83.01385	2.2
83.05021	0.7
85.02957	3.1
87.00870	2.3
89.02438	3.1
91.05527	1.9
93.05524	0.8
97.02897	0.7
97.06578	2.2
101.02441	6.7
103.05541	1.5
105.07113	1.5
108.35706	0.6
109.06638	1.1
111.08165	1.5
113.02455	3.8
115.05561	1.2
117.07067	1.4
119.03563	1.2
123.08159	1.4
125.09708	9.9
133.10233	1.0
135.08150	1.6
145.05084	1.4
157.10173	1.2
161.04504	1.1
181.01436	0.8
182.02234	3.0
183.02936	1.5
185.13304	0.8
187.09731	1.9
187.14919	5.5
195.11725	1.7
195.65376	0.6
213.12817	9.8
214.13185	0.9
227.14458	1.9
229.49075	0.9
231.13878	18.8
232.14169	1.1
235.08241	1.4
272.14111	1.9
273.14935	1.7
277.88419	0.7
321.22141	0.7
339.23264	1.9
365.21188	1.7
383.22266	15.4
384.22809	1.2
401.23315	8.2
402.23267	0.7
405.17673	1.7
606.84094	0.7
619.31201	100.0
620.31525	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	619.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01375	10.4
61.98809	2.1
63.54347	0.9
65.03964	1.9
71.01382	8.3
71.52190	1.2
72.99312	1.4
73.02944	2.4
78.95889	1.1
85.02944	3.1
87.00877	2.1
89.02444	4.4
91.05495	0.9
93.49567	0.8
95.01347	1.0
97.06563	1.8
101.02438	8.5
103.05550	1.6
103.06441	0.8
105.07106	2.0
113.02443	4.1
117.07034	1.0
119.03500	1.0
123.08159	1.7
125.09714	8.9
133.10152	1.4
133.80885	0.9
145.05083	1.9
159.11748	0.8
161.04533	1.1
185.13409	1.4
187.09772	1.1
187.14931	7.8
198.82513	1.1
213.12817	5.8
223.06607	0.9
227.14447	3.0
231.13899	25.6
232.14073	1.1
235.08269	1.7
292.31927	0.8
339.23242	2.0
365.21201	1.6
383.22220	17.7
384.22195	1.1
401.23230	7.6
417.41220	1.1
459.27509	2.4
619.31219	100.0
620.31604	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	619.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98820	0.7
65.00316	0.6
69.03455	1.4
70.19359	1.5
71.01370	0.6
73.62090	0.5
77.03979	1.4
78.95911	0.9
81.03452	1.0
83.01373	2.5
85.02945	0.7
90.29596	0.4
93.03477	0.6
95.01395	1.3
95.05058	0.5
97.02958	1.5
99.00892	1.4
108.02166	0.7
109.02929	0.7
110.00101	2.2
111.00868	3.8
111.04523	1.1
121.02971	2.7
123.00934	0.9
123.04533	0.6
136.98831	0.6
137.02437	8.5
139.00342	4.6
139.04053	1.4
140.01112	1.1
141.01941	4.9
151.04024	1.0
152.99541	0.6
153.01956	6.7
155.03505	0.5
165.01923	10.1
165.99091	4.4
166.02740	1.3
166.99829	2.9
167.03479	1.2
177.01888	0.7
179.03444	0.6
181.01411	10.8
182.02199	100.0
183.02965	97.7
184.03365	2.2
194.02184	1.3
195.02954	2.0
207.02975	1.3
216.08698	0.5
225.03944	1.0
327.07141	2.1
345.08109	0.8
402.97018	0.5
404.38370	0.4
619.27539	90.7
620.27869	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	619.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01376	0.6
61.98822	0.5
65.00317	0.4
67.01863	0.3
68.99805	0.5
69.03451	1.3
70.81142	0.6
71.01380	1.0
75.00899	0.3
77.03954	1.4
81.03450	0.6
83.01376	3.3
83.01758	0.3
85.02966	0.6
93.03477	0.9
95.01393	1.0
95.05001	0.5
97.02953	1.5
98.70201	0.3
99.00867	2.4
108.02178	0.7
109.02943	1.0
110.00077	1.6
111.00877	3.4
111.04503	0.6
113.34240	0.3
121.02950	2.9
123.00865	0.6
124.98888	0.3
129.01979	0.4
135.01001	0.3
135.04688	0.3
136.98813	0.4
137.02437	8.2
139.00378	4.5
139.03972	1.8
140.01163	1.4
141.01936	4.4
151.04001	1.0
153.01913	6.5
153.33618	0.3
155.03461	0.4
164.01115	0.5
165.01926	9.7
165.99039	4.0
166.02698	0.8
166.99829	2.2
167.03514	1.0
179.03404	0.3
180.99796	0.4
181.01418	10.1
182.02197	100.0
183.02960	92.3
184.03311	2.1
186.01678	0.4
193.05011	0.4
194.02158	1.3
195.03017	1.7
207.02904	0.4
218.58212	0.3
225.04045	0.6
291.19690	1.1
327.07083	1.7
345.08353	0.8
381.62640	0.3
394.22086	0.3
428.99515	0.3
437.92993	0.3
463.06577	0.3
619.27521	93.1
620.27875	11.0
620.38300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2555
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.97538	0.8
61.98829	11.2
70.51490	1.9
70.51846	1.2
78.95895	3.8
79.99429	0.9
152.99571	4.2
204.10590	0.8
255.23384	1.3
268.83011	0.8
281.40515	1.0
334.75253	1.0
360.00668	1.0
401.13904	2.8
415.15439	2.7
416.16394	12.9
417.17105	1.3
418.46179	1.1
429.17267	1.2
430.17984	2.5
431.19040	2.5
434.17325	1.6
444.15619	1.1
458.17441	1.4
459.18207	100.0
460.18625	10.8
473.19797	14.5
474.20688	5.8
487.17422	1.5
501.19327	1.4
503.17328	3.1
511.17517	1.2
517.19037	1.1
518.19513	46.7
519.19836	6.8
532.21094	6.7
533.21887	88.9
534.22284	11.3
587.22900	8.0
619.25543	87.5
620.25739	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	619.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01379	6.4
61.98810	2.3
70.96645	0.5
71.01380	10.1
71.07297	0.7
72.16617	0.5
72.99306	1.4
73.02921	0.8
83.01395	1.9
85.02951	1.3
87.00873	18.0
88.94485	0.5
93.03426	0.5
96.96001	1.5
99.00880	0.9
101.02440	1.2
105.02910	0.5
112.98801	0.6
115.00369	27.9
123.04572	0.6
125.02392	0.7
135.04500	0.8
137.02428	5.4
141.01962	0.8
143.04652	0.5
145.02971	0.8
150.03253	0.5
152.04805	3.6
153.01915	1.1
158.22804	0.5
163.03929	1.5
165.01955	4.4
165.05536	0.7
167.03487	7.7
171.10228	0.5
175.02470	39.3
176.02808	0.8
179.03485	2.9
180.04268	1.9
181.01465	0.9
181.05052	10.5
182.02176	2.1
183.02936	1.9
184.03772	2.8
191.03429	0.7
195.02959	9.7
196.03719	1.6
203.42729	0.5
205.05067	1.1
207.02956	1.8
207.04883	1.0
208.03749	26.2
209.04535	23.0
221.04515	1.1
224.03238	1.6
233.04489	2.5
235.09703	1.4
252.74539	0.5
262.08392	5.4
263.09235	2.9
280.09515	6.8
281.10135	1.5
306.07501	0.5
345.08160	1.1
371.09793	25.4
372.09998	1.7
387.09280	0.8
425.14383	3.8
438.14349	0.8
443.15527	100.0
444.15781	6.7
457.13333	1.1
601.20154	1.7
607.36346	0.5
619.20978	3.7
619.30109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61942	3.4
81.03448	3.7
83.01381	1.9
93.87659	0.6
95.69685	0.5
97.02947	1.0
109.02956	2.6
123.04520	23.1
124.04835	0.8
125.02461	5.6
135.04510	0.8
137.02406	1.6
147.84416	0.7
149.02444	1.2
151.00371	1.4
151.04073	1.0
166.88094	0.6
167.03488	100.0
168.03848	2.6
179.03574	1.0
188.04758	1.3
191.03569	0.7
203.07158	0.9
205.05064	0.9
209.04558	1.2
221.08205	0.8
245.08113	1.8
245.55278	0.6
289.07208	14.0
290.07706	0.8
329.08777	13.7
330.09045	1.2
416.83243	0.7
488.61584	0.6
546.78156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	2.9
64.25895	2.2
71.52036	3.5
92.05045	4.3
94.34924	2.5
96.95987	2.9
101.99158	2.2
113.64282	2.5
115.07256	2.5
116.05113	2.7
118.06602	13.6
119.05383	23.1
125.02447	3.6
128.05087	18.9
131.03735	13.4
133.64824	2.2
137.04834	2.5
137.60751	2.6
142.47542	2.8
144.04547	84.1
146.06108	45.3
169.01392	3.9
172.04015	8.0
185.62561	2.7
190.05089	100.0
191.05409	4.3
207.07089	5.8
249.08798	56.7
437.25772	3.2
619.27026	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	617.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88442	0.7
59.01373	2.7
61.98820	1.2
68.29247	0.7
71.01390	2.3
71.40342	1.2
73.02979	0.7
80.65157	0.7
83.01399	1.0
83.05030	1.1
85.02943	1.0
87.00871	0.7
89.02446	1.2
101.02451	0.9
105.40794	0.7
125.02420	1.0
125.09772	0.8
127.11309	0.6
138.11340	0.7
143.48163	0.7
161.02420	1.0
163.11330	1.1
165.12852	1.0
171.10263	42.0
172.10626	0.8
182.02139	1.3
183.02957	1.3
193.31038	0.6
197.11876	4.3
199.13431	2.7
201.11250	3.2
209.11816	28.8
210.12164	0.8
211.13449	0.8
222.06920	0.9
225.05582	2.7
227.12877	10.3
228.49933	0.7
235.08173	2.5
237.05548	1.1
238.06306	3.4
239.07080	0.9
240.04362	1.8
241.05136	1.9
250.06364	3.6
253.05098	4.0
253.09129	3.5
254.05753	4.3
255.06404	0.8
262.06546	0.9
263.07224	1.2
264.07843	0.7
265.05032	5.0
266.05826	6.9
267.06543	1.1
269.04532	2.2
275.07364	0.9
278.05911	1.4
279.06610	3.4
280.03812	2.0
280.07397	3.3
281.04568	19.2
282.05276	13.0
290.05905	0.8
291.06610	5.4
292.03705	0.9
293.04636	18.9
293.08194	3.3
294.01929	1.2
294.05319	24.0
295.05765	2.6
303.06772	1.5
307.06201	3.7
307.13394	8.0
308.06873	1.7
322.12042	1.6
323.05542	0.7
323.12842	7.3
333.11340	4.1
347.12949	0.9
350.11441	1.4
351.12369	96.2
352.12708	7.4
375.12308	1.1
393.13538	2.3
407.18860	1.0
463.21555	1.1
485.10709	5.7
486.11417	1.8
498.11761	1.2
513.17621	2.0
531.18829	3.7
555.18689	85.2
556.19055	9.1
556.26831	1.2
573.19757	100.0
574.20111	9.1
617.32489	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	616.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
59.97912	2.8
61.98811	7.8
71.22089	2.8
75.95023	2.8
77.54868	2.6
83.01384	4.6
99.00894	3.1
101.02450	2.4
135.54486	2.7
137.02440	7.5
137.86340	3.0
139.00346	3.0
141.01941	2.9
153.01913	5.4
165.01942	6.3
171.10229	18.5
173.92992	3.1
181.01434	7.0
182.02199	95.4
183.02974	74.7
185.11823	7.7
186.12233	4.4
207.10100	4.3
209.11885	3.5
211.13382	10.4
225.11356	3.9
270.05121	5.1
345.08154	3.0
460.14685	3.4
493.11017	2.9
553.19214	100.0
554.19507	8.1
617.32385	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	617.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31722	1.4
53.68557	1.6
59.01361	1.6
60.36347	1.3
67.85107	1.3
71.51951	2.6
72.07442	1.3
75.00877	7.7
78.95908	22.6
79.95741	4.9
80.85284	1.5
82.41280	1.7
83.01399	4.4
89.02417	1.4
89.34911	1.4
96.96008	100.0
96.96907	6.8
118.34853	1.4
120.96955	1.4
135.03001	19.0
137.02440	2.1
137.42441	1.4
148.02452	1.8
164.01080	3.4
165.01920	5.2
167.03468	1.8
178.99889	2.5
182.02199	8.9
183.02945	5.5
184.56139	1.4
192.00623	11.4
193.01360	4.3
194.02094	1.6
195.02876	1.8
200.15808	1.4
209.00900	1.6
210.01663	9.2
220.00130	14.1
221.00873	37.5
222.01512	1.8
223.02486	1.9
233.99525	1.6
235.02359	2.9
239.64441	1.4
246.01660	1.9
345.08267	6.7
370.08307	2.7
371.06641	4.9
383.06177	69.6
384.06451	5.0
399.05450	3.6
401.07251	16.7
425.04651	1.5
432.03458	1.8
457.09711	2.0
473.09259	2.7
479.01678	2.0
501.09152	2.7
519.09821	38.8
520.10291	2.5
599.09009	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	617.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.27873	0.3
61.98833	2.3
65.00296	0.3
68.99835	0.3
69.03445	0.6
71.01373	1.0
75.00858	0.5
75.64809	0.3
81.03452	0.6
82.61814	0.2
83.01369	1.8
85.02953	0.6
86.81813	0.3
87.00892	0.4
93.03465	0.4
93.28617	0.3
95.01393	0.4
97.02925	1.4
99.00873	0.8
99.04520	0.4
100.97346	0.3
109.02941	0.7
111.00882	2.4
112.23698	0.3
113.02387	0.4
113.41579	0.3
121.02980	1.4
123.00874	0.4
125.02436	0.8
125.45045	0.3
126.69884	0.3
129.01953	0.3
137.02435	4.4
139.00356	1.7
139.03981	0.9
140.01166	0.9
141.01941	3.3
145.02948	0.4
151.03990	0.9
153.01918	3.6
155.03476	0.6
163.04025	0.6
164.01147	0.6
165.01935	5.8
165.99071	1.1
166.02562	0.5
166.99805	0.7
167.03430	0.3
175.02507	0.3
177.01944	1.4
179.03477	0.6
181.01411	5.5
182.02197	66.5
183.02966	64.0
184.03317	2.1
193.05000	0.4
194.02176	0.6
195.03017	2.6
207.02971	0.8
207.04988	0.5
221.00806	0.3
229.52373	0.4
284.29880	0.3
303.07196	0.6
337.62866	0.3
345.08234	100.0
346.08569	5.0
454.09430	0.5
491.11871	0.5
617.15027	12.8
618.15155	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	615.2444
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
51.80831	0.8
58.43829	0.8
61.73384	0.8
61.98812	3.1
68.91335	1.0
69.03433	2.0
71.52711	1.7
81.03469	1.2
83.01386	4.9
83.01802	1.0
85.02943	1.3
95.01432	0.9
95.25727	0.9
96.95989	1.4
97.02946	2.1
99.00896	2.2
110.00079	2.0
111.00858	4.0
117.07076	2.6
119.08138	0.9
121.02943	2.5
136.98711	1.0
137.02472	8.0
139.00346	4.5
139.04050	1.2
140.01138	3.2
141.01926	6.3
153.01935	8.6
165.01933	8.5
165.99026	3.0
166.99800	2.2
171.10196	1.7
181.01422	9.8
182.02202	100.0
183.02968	88.4
184.03261	2.3
186.01646	2.0
195.02933	3.5
212.40443	1.1
287.16568	1.1
317.33072	1.0
327.07205	2.2
335.63550	1.2
342.28101	1.1
387.10895	1.2
531.21710	1.2
573.22900	1.8
615.24347	89.7
616.24780	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	616.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
60.16020	2.9
61.98825	33.1
70.18079	3.3
71.01369	10.3
71.18726	4.0
71.19056	4.7
96.95989	10.0
99.92566	5.0
109.02962	3.5
116.92849	11.3
117.03483	5.4
120.33742	3.5
128.03494	4.9
143.04561	5.1
145.02904	14.7
153.01924	4.5
161.02431	5.4
163.04030	7.1
165.01894	24.8
166.02574	3.8
167.03520	3.8
171.10295	24.9
175.28035	3.6
182.02159	7.3
183.02934	10.6
207.10201	4.8
209.11757	11.5
221.00862	6.2
225.32127	4.0
237.03928	4.2
266.04285	7.2
289.07153	27.2
302.04294	4.4
306.07602	3.6
317.06564	25.8
345.08060	6.0
390.09604	28.9
391.10162	11.1
553.15527	100.0
554.16119	9.5
627.10773	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	615.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
57.12848	1.2
59.01387	2.3
69.78553	8.2
74.91063	1.3
75.29308	1.3
81.03466	2.4
83.01389	2.2
87.58722	1.3
93.03467	1.8
95.05013	3.3
97.02947	4.6
98.20731	2.0
109.02945	23.7
117.03466	8.4
119.05025	25.7
121.02963	2.9
123.04517	12.6
125.02452	13.0
125.90236	1.4
131.05028	2.5
133.06628	1.7
135.04536	1.4
137.02464	8.6
139.15268	1.4
145.02948	48.9
149.02415	3.7
151.04045	8.5
159.04472	9.6
161.06081	7.8
163.04005	31.5
164.01138	3.8
165.01888	2.4
167.03459	1.9
179.03474	5.4
187.04001	38.2
188.04643	4.1
202.06339	2.6
203.07089	11.0
205.05066	9.4
221.08176	3.8
224.57436	1.6
227.07225	2.7
229.04979	1.4
245.08145	17.3
269.37054	1.3
289.07156	100.0
290.07547	5.2
325.09244	25.6
355.14279	1.4
392.00681	1.5
549.00018	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	615.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89405	0.8
70.66709	2.0
78.90620	0.7
101.75660	0.6
107.46297	0.9
111.66653	0.6
113.90584	0.6
141.11310	0.6
143.04614	0.7
171.10260	1.1
185.11829	7.9
211.13368	6.5
225.11241	0.9
227.07111	0.8
247.07573	1.3
254.05835	1.9
263.07129	1.2
265.05154	1.1
267.06424	1.0
277.08633	1.9
278.05862	0.9
279.06577	1.4
282.05301	0.7
291.06589	53.0
292.07095	4.6
297.07678	1.1
305.08115	3.0
306.08911	2.3
307.13327	2.9
319.09659	0.9
334.12061	1.2
335.12842	100.0
336.13168	6.3
377.13977	1.0
452.42197	0.7
497.18018	1.5
529.20667	1.8
539.19165	12.3
540.19836	1.4
567.23975	0.7
571.21759	90.4
572.22101	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	615.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62818	2.0
57.47153	1.9
59.01371	5.1
60.99291	6.1
61.98824	31.0
71.01353	2.4
71.52423	2.8
74.02464	2.7
75.78088	2.0
82.95386	2.1
83.01379	4.0
88.98802	25.5
99.00885	2.6
111.00867	2.7
116.03129	2.0
121.05288	2.1
125.02396	2.6
128.03513	2.8
135.04544	25.5
137.02414	8.2
143.04610	4.2
143.69962	1.9
153.01939	10.8
159.43617	2.3
161.02405	3.9
175.02470	2.5
181.01425	18.4
181.02808	2.7
182.02185	53.3
182.75891	2.2
183.02977	66.8
195.02892	2.8
207.02959	2.2
244.15443	2.2
248.81645	2.4
254.07593	2.1
264.66571	2.2
264.98911	2.2
301.03436	4.4
327.07135	19.8
345.08231	100.0
346.08658	4.9
387.09308	12.4
417.29941	2.5
507.11389	13.3
525.12482	31.8
526.12488	5.2
615.23499	5.7
625.44336	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78740	2.1
53.18458	2.0
59.01375	2.5
70.74571	4.8
93.03493	2.7
95.05031	4.3
97.02959	6.9
109.02942	24.1
114.94249	2.3
115.34805	2.0
117.03474	7.0
119.05045	26.6
121.02958	4.4
123.04544	18.9
125.02449	10.9
126.39596	2.4
137.02426	11.1
139.04068	2.3
145.02953	52.4
149.02477	3.1
151.04024	5.7
159.04568	3.9
161.06110	4.5
163.04008	32.0
165.01923	4.7
175.04085	2.8
175.07750	2.4
179.03537	3.5
183.58458	2.2
187.04015	6.2
188.04762	2.7
203.07195	12.8
205.05086	6.8
221.08165	4.9
242.40120	1.9
245.08173	17.2
289.07175	100.0
290.07437	4.4
325.09293	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	614.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12651	2.6
59.01375	5.2
63.93770	3.4
69.76861	7.0
69.77266	12.7
96.95979	3.1
137.02426	9.3
153.01918	5.1
158.95206	2.7
165.01929	7.8
181.01443	5.7
182.02200	99.8
183.02982	75.8
211.13364	3.6
322.04468	3.4
414.68304	3.8
551.13110	6.0
551.21332	100.0
552.21295	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	615.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.99317	6.1
61.98830	14.2
69.87553	2.3
69.87978	4.0
71.01379	1.7
83.01383	1.8
88.98799	31.5
98.19967	1.8
102.29821	1.3
102.39111	1.1
111.00920	1.3
115.00396	1.3
135.03511	1.5
135.04526	25.0
137.02441	10.4
139.00412	1.4
141.01920	2.3
150.42839	1.4
153.01944	10.1
161.02396	2.4
165.01909	4.9
179.03444	1.4
181.01440	16.5
182.02191	48.9
182.03787	2.4
183.02963	66.2
184.03261	1.8
195.02997	2.9
327.07205	16.4
341.02267	1.4
345.08228	100.0
346.08664	7.1
387.09323	12.9
507.11469	8.4
525.12500	30.6
525.20471	1.9
526.12396	1.4
615.24548	1.4
636.24469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98827	3.3
62.15978	0.7
63.02386	0.9
65.00330	3.2
67.36267	0.7
68.63474	0.5
69.39396	5.3
71.01398	0.9
71.02864	0.7
78.95898	7.9
83.01394	2.3
89.02432	1.2
92.49145	0.6
93.03472	1.0
98.19877	1.3
107.01373	5.4
108.02177	1.0
109.02950	1.5
119.05044	2.3
121.02943	4.8
125.02459	1.5
133.02957	0.7
135.00906	0.7
135.04535	0.8
137.02426	1.3
139.00380	1.1
140.01147	2.8
141.01920	8.2
145.02959	1.7
149.02419	1.4
151.00357	29.7
152.01047	0.6
152.99561	1.3
154.70432	0.8
161.02473	1.4
161.06096	4.4
163.00327	3.7
163.04047	1.0
164.01201	0.9
169.01505	0.9
171.00702	1.6
178.99847	13.7
179.01328	1.0
182.02176	1.1
183.03009	1.3
185.06169	0.9
187.04039	1.2
188.43205	0.7
199.04007	1.8
207.02989	0.7
208.03625	0.9
209.04536	1.2
211.03941	1.3
211.13385	3.0
212.13715	1.9
215.03577	1.1
217.05045	1.3
226.02678	1.2
227.03494	2.9
229.05037	1.9
235.54599	0.7
243.03012	8.4
244.03751	1.1
245.04541	5.1
254.02362	1.6
255.02963	21.7
256.03564	1.4
257.04410	1.2
271.02457	42.3
272.02835	3.5
273.04025	1.8
283.02612	2.3
284.03268	1.1
285.03897	3.2
299.02029	4.9
300.02734	93.6
301.03497	95.9
302.03934	3.8
302.06982	0.7
303.07306	3.1
313.03467	5.1
345.08188	1.3
346.03003	0.8
398.13956	1.6
399.14178	1.0
416.15070	0.9
421.09506	2.1
447.09311	100.0
448.09561	6.7
465.08215	14.1
465.14157	10.9
466.08588	1.0
567.14594	1.3
593.13580	0.9
610.29987	3.2
611.13959	39.3
611.30573	2.5
612.14325	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	611.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68474	0.6
57.03429	1.0
59.01162	0.5
59.01384	5.7
60.23644	0.5
61.98829	5.4
71.01390	5.2
73.02939	0.9
78.95885	0.9
81.03476	1.1
83.01386	7.4
83.05013	0.6
85.02953	8.1
85.18074	0.5
87.00862	1.0
88.98798	1.6
89.02427	3.3
93.03462	0.7
94.95278	0.6
95.01395	0.8
95.05030	6.7
97.02953	0.9
101.02463	4.2
106.04248	0.7
107.05006	1.4
109.02998	0.7
109.06608	0.7
113.02462	2.0
116.32519	0.6
119.03480	0.8
121.06584	1.9
123.00900	0.5
125.02462	4.0
133.02919	0.6
137.02415	1.8
139.03949	0.9
145.02945	1.6
146.03693	1.0
149.09660	0.8
150.03154	1.3
151.00320	0.9
152.01138	0.7
161.02448	1.5
161.04567	1.3
161.06046	1.3
173.06137	0.6
177.01917	1.5
187.04031	2.2
188.04713	1.1
201.12933	0.7
203.14432	4.5
206.02124	0.8
215.06961	0.7
243.06505	0.8
245.15431	1.0
247.13380	12.0
249.14853	1.0
253.09320	1.7
259.06039	4.4
261.14899	1.0
263.12808	1.3
269.04727	0.7
271.13330	2.0
273.11264	0.9
275.05612	0.6
277.14487	0.6
285.07794	0.8
287.05634	5.7
289.14426	2.4
291.12650	0.7
313.14594	2.9
315.12466	1.6
331.15424	2.0
375.14667	0.9
449.10382	0.9
449.18292	1.1
521.13068	2.0
567.23907	0.8
583.23590	0.8
593.22223	1.3
611.23383	100.0
612.23779	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	613.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
60.99297	1.8
61.98829	31.4
71.01369	1.8
71.40602	2.5
78.95934	1.5
83.01379	1.7
88.98816	9.9
93.03449	3.5
96.95995	1.7
107.72503	1.4
114.69753	1.6
123.51865	1.5
125.02406	2.5
128.03491	1.8
133.02946	1.8
137.02458	1.9
153.01906	3.1
161.02425	5.6
163.04065	1.5
165.01912	6.8
167.03506	2.2
177.01833	1.6
181.01393	2.6
182.02180	9.2
183.02957	10.5
185.11754	2.5
191.03401	1.7
195.02896	3.0
209.11931	1.6
223.06166	1.8
234.01706	1.8
235.02440	3.2
243.02872	2.7
243.06487	1.4
259.03397	3.1
259.06079	40.8
260.06262	1.8
266.04156	9.2
273.07736	2.2
287.05560	27.8
288.06049	2.4
306.07642	2.1
329.06644	4.5
345.08270	3.8
360.08453	34.7
361.09274	13.9
420.61938	1.5
429.10309	5.0
523.14520	100.0
524.15308	8.1
613.23242	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	613.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83871	1.5
59.01376	34.6
66.92461	1.6
71.01378	16.2
71.51728	1.8
72.99313	2.7
85.02944	3.3
89.02438	27.4
89.02947	2.6
95.01376	2.7
95.69357	1.7
96.96007	1.7
99.90373	1.5
101.02422	15.0
113.02435	7.6
119.03519	9.6
125.02393	1.8
145.06731	1.9
147.88426	1.5
156.35129	1.9
182.52470	1.9
289.07245	3.1
323.13452	100.0
324.13757	5.8
494.01337	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	614.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62934	1.0
57.29205	1.1
59.01383	1.1
61.98827	77.7
65.00317	1.2
68.99525	1.3
71.29128	1.8
75.00844	1.1
81.03481	1.3
83.01382	2.7
85.02935	1.2
91.35678	1.2
93.23357	1.0
97.02909	1.5
98.19963	1.0
109.02940	4.3
111.00864	2.1
116.92773	1.0
121.02950	3.8
123.00860	0.9
125.02472	2.3
128.27182	0.9
136.98816	2.9
137.02454	6.1
139.00395	1.5
141.01929	3.1
148.91092	0.9
149.02440	8.7
153.01917	36.2
161.02441	1.6
163.04018	1.3
164.04762	5.5
165.01935	4.6
166.02629	2.2
167.03458	2.2
177.01912	1.7
180.99762	1.6
181.01418	55.3
182.02185	56.9
183.02966	61.6
184.03296	2.0
195.03008	2.1
207.02968	2.2
213.92601	1.1
223.06085	7.6
225.04004	1.6
249.04073	1.6
327.07172	100.0
328.07544	4.7
345.08221	81.5
346.08609	4.0
551.14056	21.6
552.13916	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	611.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	16.9
61.88147	0.4
61.98824	2.9
67.44099	0.4
69.44518	1.5
69.44951	1.6
71.01379	0.5
75.08518	0.4
77.36063	0.4
78.95908	5.4
83.01366	0.4
87.59410	0.4
88.98802	100.0
89.99117	0.5
95.06557	0.4
98.19852	0.8
109.02892	0.8
111.00931	0.6
116.92864	0.9
125.02411	0.5
133.02937	2.5
134.03813	2.5
135.04478	1.9
136.04805	0.6
137.02448	1.4
141.01961	0.6
152.99568	0.7
153.01941	7.6
161.02431	11.2
162.02763	2.8
165.01898	1.7
167.03548	0.5
171.00638	1.2
179.03523	1.6
180.03777	0.4
181.01416	13.0
182.02190	10.2
182.03775	0.7
183.02971	12.6
193.05113	2.0
207.02885	0.5
211.13551	0.4
224.28676	0.4
229.05110	0.5
236.56686	0.5
255.03004	0.7
275.12402	0.4
284.03461	0.9
285.04050	4.1
286.04388	1.5
287.04654	1.2
298.68713	0.4
327.07181	22.3
328.07547	1.2
345.08237	17.5
346.08615	1.2
399.81088	0.4
428.69995	0.5
521.12921	8.4
547.21808	2.4
548.22198	9.9
549.23090	0.7
567.11646	1.2
610.30029	1.4
611.13763	1.0
611.30396	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	610.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08049	0.3
55.01883	0.4
59.01378	3.7
61.98826	6.7
69.03495	0.3
69.78384	1.6
71.01380	3.3
73.02943	0.5
74.52617	0.3
81.03448	2.5
83.01380	6.8
85.02943	0.8
89.02431	1.6
93.03471	0.4
95.01360	0.4
95.05029	0.3
97.02896	0.4
99.00867	0.4
101.02441	2.6
111.00851	0.4
113.02448	1.2
119.03513	0.5
121.02913	0.7
122.02442	0.5
124.01619	0.4
125.02441	2.9
134.09802	0.3
145.19565	0.3
153.01929	0.7
161.02386	0.6
161.04628	1.0
164.14452	1.7
166.02623	0.4
179.05571	0.4
181.01492	0.5
182.02214	0.9
183.02887	0.7
190.12378	2.2
204.12025	0.5
204.13921	10.6
208.13417	6.9
209.11794	0.3
218.81200	0.3
222.15048	1.5
228.13934	2.0
244.16983	1.7
246.14952	5.6
247.15352	0.4
248.12933	0.6
253.09277	1.6
262.17899	0.3
264.16006	13.3
265.16327	0.6
268.16949	0.7
270.14984	2.7
272.12915	1.4
280.98499	0.3
288.16043	3.4
290.13977	1.6
305.53207	0.3
306.17157	1.0
312.16129	3.1
313.16476	0.5
314.14001	2.9
330.17123	2.7
332.14960	3.3
356.15033	3.9
374.16055	1.7
406.18555	0.7
448.19669	1.6
471.76529	0.4
524.24774	0.6
568.23810	5.3
569.23993	0.4
610.24982	100.0
611.25238	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	611.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
60.99304	19.0
61.98823	2.7
69.60168	2.5
69.60573	1.8
71.01383	1.0
78.95911	1.6
87.00868	0.6
88.56065	0.6
88.98806	100.0
97.02996	0.7
99.00900	0.6
101.02441	0.7
109.02959	0.9
109.30226	0.6
116.92858	3.1
117.92867	1.7
118.92645	1.4
135.04506	1.2
137.02423	4.6
139.00366	0.7
139.77187	0.7
141.01907	1.2
151.00407	1.2
153.01932	2.5
155.83264	0.6
161.02415	2.0
163.16133	0.7
165.01895	1.9
179.03394	0.7
181.01381	3.6
182.00867	0.5
182.02205	27.5
183.02980	29.0
184.03264	1.4
188.28278	0.6
227.03554	2.5
229.05176	3.4
255.03015	3.6
257.04395	1.2
284.03217	3.0
285.04041	23.5
300.02750	0.9
301.03345	0.8
306.66873	0.8
307.08200	1.0
327.07318	2.5
345.08258	58.8
346.08502	3.2
431.10272	0.9
521.13092	1.3
581.13116	1.6
593.12830	3.1
611.13629	3.5
611.30804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01379	0.5
65.00327	0.4
65.36539	0.3
68.99805	0.3
69.03449	1.4
71.01371	0.8
71.32560	0.5
74.29086	0.3
75.06620	0.3
77.03963	0.8
81.03454	0.8
83.01389	2.6
83.05036	0.4
85.02943	0.7
93.03451	0.7
95.01392	0.7
97.02942	1.3
99.00868	1.4
108.02176	0.4
109.02977	1.2
110.00094	1.3
111.00884	3.3
111.04520	0.5
113.02464	0.3
121.02935	2.3
123.00870	0.7
123.04511	0.6
125.02494	0.3
128.61787	0.3
136.98891	0.4
137.02446	8.0
139.00377	2.9
139.03987	0.9
140.01149	1.1
141.01947	3.8
151.04045	1.1
153.01935	5.1
155.03467	0.4
165.01921	9.2
165.99059	3.9
166.02646	0.8
166.99861	1.8
167.03465	0.7
177.01900	0.7
179.03459	0.5
181.01419	9.5
182.02203	99.5
183.02969	87.7
184.03316	2.1
186.01781	0.4
191.14240	0.3
193.05211	0.4
194.02158	0.9
195.02975	1.5
207.03021	0.6
222.01823	0.3
225.04068	0.5
275.69348	0.3
281.24774	2.0
318.91342	0.3
327.07220	1.9
332.55457	0.3
345.08279	0.6
609.32751	100.0
610.33136	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	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35740	0.5
59.62489	0.5
61.57324	0.5
65.00325	0.8
66.37252	0.4
69.34929	4.1
72.71117	0.5
82.98757	0.5
83.01366	0.5
84.60534	0.5
89.41145	0.5
105.30206	0.6
107.01377	1.9
108.02194	0.9
109.02948	0.7
121.02934	1.1
135.00848	0.6
147.85638	0.5
148.01642	1.5
151.00354	9.0
152.48247	0.5
159.04553	0.5
163.00328	1.7
178.99846	4.6
199.03949	1.1
211.04025	0.7
226.02721	1.4
227.03476	2.0
229.05078	0.8
243.02946	8.4
254.02196	2.1
255.02965	21.9
256.03433	1.5
271.02451	48.8
272.02966	3.2
273.03946	0.7
283.02463	0.8
299.01834	1.5
300.02716	100.0
301.03433	25.3
302.03891	1.0
497.77472	0.6
609.14545	85.5
610.14960	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	609.1458
Annotation	Rutine
Peak:m/z	Relative Intensity
52.32232	0.2
53.28845	0.2
53.29127	0.2
57.18663	0.3
59.01363	0.3
63.02401	0.6
65.00054	0.3
65.00342	1.0
67.46925	0.3
68.49614	0.3
70.27233	0.3
71.01363	0.3
71.51981	0.3
72.09245	0.2
83.01392	0.7
87.85197	0.2
93.03453	0.3
107.01389	2.3
109.02917	1.8
109.18049	0.3
121.02937	1.7
124.01652	0.3
125.02426	0.9
133.02962	0.7
135.00882	0.3
145.02946	0.8
147.00882	0.3
149.02444	0.9
151.00360	11.7
153.01956	0.5
155.05045	0.3
157.02933	0.4
159.04500	0.3
163.00371	1.2
164.01164	0.6
165.01918	0.6
169.01476	0.4
171.04491	0.8
171.16170	0.3
173.02481	0.3
173.06194	0.4
175.00375	1.9
175.03995	0.8
178.99893	2.6
183.04553	0.6
185.06119	0.5
187.03958	1.0
190.99902	0.4
193.01379	0.8
199.03975	3.3
201.01959	0.8
201.05524	0.7
203.03491	0.7
211.04005	0.7
213.01845	0.4
215.03467	1.9
216.04118	0.3
225.02153	0.3
226.02754	1.2
227.03481	3.6
228.03999	0.4
229.04961	0.5
231.03026	0.4
242.02182	0.4
243.02979	4.8
244.03256	0.5
245.04675	0.5
254.02185	0.8
255.02959	3.1
256.03598	0.5
257.04578	0.5
271.02460	58.4
272.02893	3.7
273.03891	0.3
282.01520	0.4
283.02560	0.6
285.03952	0.9
297.04056	0.4
299.01947	99.6
300.02606	16.3
301.03503	75.2
302.03809	4.0
313.03128	1.2
314.04062	0.3
315.05228	0.3
341.04980	0.3
343.04596	2.0
350.95108	0.3
351.06360	0.3
447.09299	13.5
448.09726	0.9
462.07996	26.0
463.08762	26.4
464.08734	1.6
489.10440	0.8
490.11505	0.3
549.25446	0.4
609.14563	100.0
610.14948	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	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24146	0.8
58.33216	0.6
59.01378	0.8
59.53718	0.7
65.00320	1.3
69.77119	0.6
83.01367	0.9
83.23595	0.7
95.81755	0.7
102.45409	0.6
107.01376	2.4
108.02156	1.8
109.02919	1.5
118.53307	0.6
119.29666	0.6
121.02952	1.8
125.46055	0.6
129.75711	0.6
151.00346	11.1
155.44247	0.7
163.00371	2.2
164.01173	1.1
178.99823	6.1
199.03896	0.9
211.13274	0.7
214.69672	0.6
215.03517	0.9
226.02762	1.1
227.03525	3.2
229.04941	0.9
243.02972	9.3
254.02142	1.5
255.02962	22.0
257.04578	2.4
271.02469	47.1
272.02972	2.5
281.19193	0.7
283.02417	1.1
290.15604	0.6
295.15982	0.6
299.02048	1.3
300.02722	88.6
301.03461	37.9
301.06308	0.7
302.03784	1.4
389.21048	0.8
447.09293	3.7
507.47562	0.8
569.89087	0.7
609.14569	100.0
610.14935	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	609.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
69.63748	5.4
73.32162	0.8
81.03455	2.1
83.01392	4.0
93.03445	3.7
95.05008	1.9
97.02952	2.4
105.03396	1.3
107.05043	1.3
109.02950	12.1
111.04510	2.5
111.31173	0.8
121.02967	7.0
123.00861	4.7
123.04473	1.6
124.01627	2.8
125.02443	100.0
126.02744	1.9
133.02950	2.9
135.04570	1.5
137.01466	1.6
137.02448	23.6
138.03113	1.3
139.04010	14.2
149.02448	7.9
151.00264	1.1
151.03992	5.1
153.01984	1.1
155.03552	0.9
158.55164	0.9
159.04507	2.0
161.02396	2.1
163.00418	1.2
163.03966	2.6
164.01161	5.4
165.01918	13.0
166.02719	1.2
167.02373	1.1
167.03510	12.7
173.02509	1.0
175.03992	9.2
176.01144	1.6
177.01926	78.6
177.05508	3.8
178.02388	3.9
179.03499	9.8
187.03967	3.7
188.77855	0.9
189.05544	1.4
191.03439	2.5
193.05113	1.8
199.03989	1.9
201.05638	1.2
203.03506	1.9
204.04233	1.8
205.01306	1.3
205.04945	1.2
211.04018	2.4
213.05592	1.1
214.02643	1.0
215.03366	1.6
217.05034	2.0
219.02893	1.2
219.06566	7.6
221.04517	3.7
227.03467	2.6
229.04953	4.2
243.02975	7.5
243.06601	1.5
255.02940	20.5
256.03632	6.4
257.04498	2.7
261.03976	3.4
261.07559	2.7
269.04538	1.9
271.02347	2.6
273.04077	5.6
282.01712	1.2
283.02469	12.3
285.04111	4.2
297.03955	7.8
299.01932	3.4
301.03616	3.1
303.05154	8.4
305.06644	72.5
306.06937	2.9
315.05081	2.0
345.06100	1.4
355.08194	1.8
397.09265	2.1
423.07181	89.4
424.07635	6.7
441.08203	23.9
442.08591	2.6
462.08310	1.2
483.09232	8.9
591.11212	1.9
609.13037	12.0
610.13092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1246
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
59.01370	0.5
61.98824	0.8
63.02394	2.0
65.00323	3.8
69.24185	2.3
70.83385	0.2
71.01386	0.3
79.21750	0.2
83.01388	2.6
89.02434	0.3
91.01887	0.6
92.54035	0.2
93.03461	0.9
107.01389	8.2
108.02224	0.6
109.02950	4.6
111.00883	0.4
116.92850	1.5
119.01341	0.7
121.02950	7.0
125.02441	0.3
133.02957	1.0
134.03860	0.2
135.00879	0.6
135.04539	2.5
137.02444	0.3
139.03993	0.7
148.01590	0.4
149.02443	1.3
151.00362	31.2
152.00716	0.5
159.04507	0.8
161.02432	2.3
163.00357	4.3
163.03964	0.3
164.01129	0.7
165.01949	0.3
167.04962	0.5
169.01437	0.8
171.04539	0.5
173.06091	0.6
174.03127	0.3
175.03990	0.5
178.99852	15.9
179.03372	0.7
180.00307	0.4
182.02219	1.0
183.02945	0.7
183.04510	1.0
183.66003	0.2
185.06073	0.2
185.78459	0.2
187.03963	1.3
190.99843	0.5
192.00706	0.5
193.01346	0.6
199.04008	0.6
201.05493	1.5
203.03503	0.6
205.05092	0.3
211.03943	1.9
212.04753	0.3
217.04907	0.3
226.02667	0.4
227.03508	2.5
228.04225	0.3
229.05045	1.9
239.03473	0.8
240.04137	0.3
243.02917	1.6
245.04498	2.7
254.02110	0.3
255.02963	8.1
256.03595	0.9
257.04486	0.8
266.02103	0.4
271.02451	8.5
272.03058	1.0
273.03995	2.9
283.02417	2.5
284.02997	0.4
285.03885	0.6
296.33466	0.3
299.01907	1.5
300.02716	11.8
301.03503	100.0
302.03879	5.7
380.46143	0.3
429.08310	0.3
447.09293	9.7
448.09732	0.9
463.08533	0.3
573.21936	0.7
609.12433	27.7
610.12781	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	609.1246
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
57.03444	10.3
57.87643	0.7
71.51379	1.1
71.51738	0.8
78.95913	3.7
81.03442	1.8
83.01390	2.5
84.17692	0.9
87.00912	0.8
91.28033	0.7
91.66840	0.8
93.03460	2.5
95.05032	1.7
96.96962	11.3
97.02942	2.1
105.03429	0.8
107.05016	1.2
109.02947	10.4
111.04507	2.9
116.92845	1.3
121.02940	5.6
123.00887	2.7
124.01680	2.4
125.02436	100.0
126.02782	2.3
133.02968	2.0
135.04451	1.0
137.02441	25.9
138.03171	1.2
139.04002	11.5
149.02417	8.4
151.03996	4.2
153.01987	1.1
159.04503	1.8
161.02406	1.7
163.00421	2.1
163.03981	2.2
164.01160	3.7
165.01901	13.9
167.03493	13.4
173.06056	1.3
175.00363	2.0
175.03969	6.8
177.01917	76.0
177.05476	2.5
178.02449	2.4
179.03484	9.5
181.04945	1.3
187.03999	3.6
191.03508	2.3
191.07033	1.4
199.04030	2.2
201.05566	1.3
203.03473	2.6
204.04263	2.8
205.01439	2.1
211.03978	2.6
214.02687	1.3
215.03503	1.9
217.05130	1.9
219.02936	1.0
219.06560	7.5
221.04510	5.5
227.03476	2.1
228.04195	1.3
229.04956	3.8
243.02843	5.0
243.06612	1.6
245.04482	1.1
255.02948	15.2
256.03607	4.4
257.04529	1.9
259.06232	0.9
261.04056	2.8
261.07611	2.1
267.06406	2.7
269.04510	2.0
271.02484	5.2
271.05164	0.7
272.03214	0.9
273.04034	7.5
282.01767	1.5
283.02438	17.0
285.03979	2.2
297.04147	5.8
299.01947	10.3
299.93832	0.8
300.02658	2.6
301.03494	8.6
303.05109	10.0
305.06641	63.9
306.07022	3.4
315.05124	2.6
355.08261	2.3
394.83371	0.8
397.09241	1.4
423.07199	65.3
424.07602	4.3
441.08212	22.3
442.08801	1.3
447.09198	1.4
462.08206	1.6
463.08813	2.1
465.08371	0.8
483.09265	8.6
530.43591	0.9
591.11560	1.1
609.13965	25.7
610.14050	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	609.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.3
59.01377	1.9
69.03469	1.3
69.84924	2.8
71.01369	2.0
78.95913	1.2
79.48382	0.8
81.03437	1.5
81.90347	0.8
83.01376	4.1
85.02962	1.3
88.91837	0.8
93.03471	2.8
95.01427	1.8
95.04999	1.0
97.02968	1.3
105.01927	3.5
105.03475	1.4
107.05003	1.9
109.02941	13.1
109.30975	0.8
111.04501	2.0
112.91733	0.9
113.02451	1.3
121.02948	4.5
123.00894	3.4
124.01669	2.4
125.02448	100.0
126.02772	1.4
133.02962	2.1
135.04521	1.8
137.02455	26.4
137.03523	1.3
138.03264	1.2
139.04031	14.3
146.03714	0.9
149.02422	7.2
149.06047	1.5
151.02745	2.0
151.03998	4.6
151.96393	0.9
159.04517	1.5
161.02458	3.1
161.06084	0.9
163.00339	2.0
163.04070	1.8
164.01202	4.6
165.01938	14.2
166.02736	2.0
167.03500	14.0
170.91127	0.9
173.06068	1.0
175.03955	5.9
177.01927	76.8
177.05531	2.8
178.02446	2.6
179.03485	9.7
187.04008	3.9
191.03528	1.7
193.05112	1.3
199.04002	1.8
201.01985	1.0
201.05533	1.8
203.03494	3.0
204.04173	2.4
205.01343	2.2
205.05124	1.4
211.03978	1.5
213.05501	1.2
215.03459	2.6
217.05084	3.1
219.03099	1.0
219.06622	5.8
221.04587	6.6
227.03520	2.5
228.04250	1.6
229.05074	2.3
243.02979	6.1
243.06656	2.1
255.02966	16.2
255.05441	1.3
256.03717	5.1
257.04575	2.0
261.03973	3.7
261.07690	2.9
267.07248	9.7
269.04556	3.2
271.02640	1.1
273.03998	4.6
274.04718	0.9
282.01559	1.6
283.02490	10.8
285.04001	4.1
288.02722	2.3
297.04025	6.0
299.02042	2.7
301.03406	3.5
303.05112	11.0
305.06653	74.3
306.06992	2.5
309.12076	1.4
315.05225	1.7
345.06235	1.0
355.08258	1.7
397.09055	1.4
423.07184	82.3
424.07599	5.2
441.08237	26.9
442.08545	1.8
453.08011	1.0
465.08151	1.3
483.09213	8.3
591.12036	1.6
609.12640	13.9
610.13031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55386	0.3
53.38188	0.3
58.60594	0.3
59.01377	2.2
63.02401	1.7
65.00339	0.9
71.01379	3.1
71.11864	0.3
71.51928	0.4
73.02950	0.7
78.95898	0.3
82.51910	0.3
83.01340	1.4
85.02954	0.8
89.02454	0.9
91.01882	0.3
93.03460	1.5
95.01397	0.7
101.02464	1.4
101.12363	0.3
107.01399	3.0
107.05032	0.6
107.97491	0.3
109.02943	1.2
113.02475	1.5
116.92827	0.4
117.03476	0.8
125.02452	0.5
132.02176	1.0
133.02954	14.9
134.03696	1.3
135.00882	1.0
135.04521	24.4
136.04866	0.7
137.02481	0.4
143.05019	1.0
145.02972	0.5
147.04504	0.4
149.02422	0.3
149.06053	1.0
151.00356	5.5
154.04294	0.5
155.05035	0.3
157.06570	0.8
159.04503	1.6
161.02435	53.6
162.02754	1.8
163.00352	1.7
163.04150	0.3
164.01123	0.5
167.04968	0.6
169.01398	0.3
169.06599	0.6
171.04495	0.8
173.02513	0.4
175.04033	0.9
177.05566	1.3
179.03488	15.4
180.51930	0.3
183.04442	0.9
183.13902	0.5
185.06056	2.1
187.03999	2.9
189.05582	1.3
195.04654	0.4
196.05116	0.3
197.05984	0.9
199.04012	0.8
201.05548	0.9
203.03465	0.9
211.03943	1.7
211.13367	5.6
212.04755	0.4
213.05563	2.0
215.03426	0.6
221.04526	0.8
227.03479	13.4
228.03900	0.5
229.05037	7.5
239.03542	1.4
240.04094	0.4
240.95035	0.3
241.05025	1.1
243.02995	0.7
251.05531	0.5
255.02966	23.6
256.03665	2.9
257.04535	6.5
267.03003	0.6
283.02481	0.5
284.03244	26.6
285.04010	100.0
286.04355	5.1
312.12677	0.3
323.07678	35.8
324.07962	2.1
348.30420	0.3
397.13470	2.4
415.14560	1.2
447.09225	3.0
609.12433	62.6
610.12738	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	609.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58372	0.5
58.29621	0.5
58.74532	0.5
59.01368	0.8
60.28420	0.7
61.98829	2.0
63.02394	0.6
65.00320	1.4
69.91799	0.5
70.52909	1.2
70.53263	1.0
71.01392	1.2
78.95927	0.7
82.56784	0.6
83.01385	1.5
89.02454	0.6
92.71864	0.5
93.03455	0.7
101.02462	0.7
107.01384	2.9
108.02207	1.1
109.02952	1.1
109.92152	0.5
116.92856	0.8
117.03458	1.1
119.05000	1.2
120.17989	0.5
121.02966	1.9
125.02443	0.8
133.02948	1.1
135.00874	1.0
135.04559	0.7
141.99292	0.5
143.04553	0.5
145.02946	2.4
148.01711	1.3
151.00362	12.1
153.01901	0.7
161.02425	2.9
163.00356	3.0
164.01128	0.9
169.01414	1.0
171.04413	0.7
178.99866	5.7
183.04514	0.7
187.03891	0.8
190.99767	0.6
192.00644	0.8
192.18153	0.5
199.04013	1.3
203.03523	0.9
209.13089	0.6
211.04037	0.8
211.13396	1.7
215.03455	0.9
226.02692	1.4
227.03438	4.5
229.04880	0.8
243.02986	11.2
245.04442	0.9
254.02211	2.1
255.02975	26.6
256.03473	1.3
271.02466	60.7
272.02985	3.9
273.04010	0.9
283.02533	1.1
285.04111	2.7
299.01981	1.9
300.02731	100.0
301.03479	38.6
302.03824	1.8
332.34778	0.6
339.75537	0.6
345.08029	0.9
397.13669	1.3
410.28387	0.6
415.14166	0.9
463.08807	57.8
464.09207	4.2
547.21851	1.3
609.12457	56.2
610.12817	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	609.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12755	0.3
52.94031	0.3
53.99325	0.3
59.01367	0.5
61.37886	0.3
73.52197	0.3
78.95872	0.3
85.02964	0.4
96.96001	1.2
98.19833	0.6
99.92575	8.2
100.92538	0.3
116.92856	100.0
116.98282	3.4
117.92860	3.5
122.51303	0.3
125.02445	0.4
151.00331	0.6
181.01363	0.3
182.02214	1.6
183.02950	1.4
211.13412	0.5
230.76154	0.4
243.02960	0.3
255.02858	1.0
267.07162	1.6
267.15579	0.4
271.02509	1.2
285.04047	0.6
300.02661	2.8
300.05652	0.4
301.03589	1.7
345.08209	3.5
369.06223	0.5
375.27640	0.4
397.13248	0.6
463.08920	1.0
609.14038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98841	0.9
65.00307	0.7
69.46703	2.6
70.25571	0.3
71.01379	1.8
73.02911	0.5
78.95914	1.7
83.01404	0.9
87.00840	0.4
88.98797	0.4
89.02452	1.3
98.20756	0.4
99.92582	9.9
101.02435	1.2
107.01376	0.9
109.02937	0.7
110.32912	0.4
113.02419	0.6
116.92856	100.0
117.92879	3.1
119.05041	0.6
121.02915	1.0
125.02523	0.6
127.37964	0.4
133.02948	0.8
135.00879	0.5
135.04472	1.0
145.02933	1.3
148.01633	0.5
151.00351	4.7
153.01926	0.7
161.02426	1.3
163.00372	0.9
167.03477	0.8
178.99889	2.6
179.03261	0.5
181.01451	1.1
182.02167	1.4
183.02985	2.0
184.03438	0.5
211.13350	6.4
226.02759	0.8
227.03415	1.3
243.02968	4.5
254.02142	1.1
255.02960	10.1
256.03253	0.7
271.02466	21.4
272.02991	1.5
283.02362	0.6
285.04062	4.2
300.02728	37.0
301.03461	14.9
323.07889	0.4
327.07272	0.9
345.08203	1.4
397.13449	3.9
415.14600	1.9
463.08795	20.9
464.08948	1.4
489.35339	0.5
491.12039	0.7
508.11871	1.7
609.12469	25.0
609.28033	1.1
610.13013	2.5
610.29199	0.7
636.81342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1243
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
50.02590	0.5
53.96984	0.5
54.52680	0.4
59.01369	1.0
61.98838	0.6
65.00319	1.2
69.72724	1.6
69.73133	1.2
71.01389	1.8
78.42377	0.5
78.95898	1.1
80.53893	0.5
83.01390	0.7
84.60083	0.5
89.02449	1.2
95.17863	0.5
99.92576	8.1
101.02461	1.2
107.01404	2.6
108.02194	1.2
109.02943	1.5
116.92856	79.2
117.03462	1.0
117.92877	3.2
121.02976	1.2
135.00880	0.8
135.04514	0.8
137.02406	0.6
138.78790	0.5
145.02989	2.5
148.01659	1.4
151.00356	10.4
153.01976	0.5
161.02411	1.2
163.00334	2.3
164.01186	0.8
178.99863	5.3
179.03427	0.5
181.01427	1.3
182.02171	1.0
183.02931	0.7
190.99902	0.5
199.03896	0.9
203.03467	0.7
203.99776	0.5
211.04082	0.5
211.13335	4.9
226.02742	1.3
226.23303	0.6
227.03520	2.2
242.80560	0.5
243.02962	9.9
245.04384	0.9
254.02197	2.0
255.02957	25.4
256.03412	1.2
271.02448	54.4
272.02982	3.2
273.04108	1.2
283.02551	0.9
285.03983	1.0
299.01791	0.8
300.02716	100.0
301.03448	35.0
302.03864	1.0
302.76974	0.6
327.07175	1.1
345.08292	0.7
397.13449	2.3
415.14508	1.4
463.08783	49.1
464.09033	2.9
506.12561	0.6
508.11679	1.5
549.29144	1.1
570.97296	0.5
609.12360	62.0
610.12854	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	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28072	0.2
58.79204	0.2
59.01376	0.4
61.98830	100.0
70.74554	0.4
71.01399	0.2
78.95923	0.5
85.51403	0.2
111.53019	0.2
146.04634	0.3
152.99673	0.3
153.59898	0.2
181.01492	0.2
183.02924	0.3
190.33331	0.2
209.08127	0.2
211.13268	0.2
271.02460	0.3
282.40210	0.2
300.02869	0.2
407.58817	0.2
413.39960	0.2
537.40521	0.2
542.92914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11995	0.1
51.74113	0.1
61.24911	0.2
61.98828	100.0
70.01304	0.2
76.28562	0.2
78.95900	0.4
80.96532	0.2
110.05392	0.2
152.99527	0.2
172.53772	0.2
182.02267	0.3
183.02934	0.3
207.75256	0.2
209.11949	0.2
211.13521	0.2
219.47969	0.2
229.43878	0.1
277.70911	0.2
285.03979	0.2
289.07236	0.2
300.03021	0.3
609.14734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29613	0.1
59.01375	0.5
65.00326	0.3
67.01900	0.4
68.99806	0.4
69.03454	1.4
69.60082	0.1
71.01384	0.8
73.02944	0.2
73.95192	0.1
75.00863	0.3
77.03970	1.1
79.01900	0.2
81.03466	0.6
83.01379	2.6
83.05021	0.3
85.02957	0.5
93.03446	0.4
95.01374	1.1
95.05025	0.4
96.99291	0.2
97.02953	1.3
98.19931	0.3
99.00879	1.7
99.04502	0.2
100.30638	0.2
101.99131	0.1
108.02169	0.5
109.02967	1.0
110.00091	2.0
111.00880	3.8
111.04479	0.4
113.02418	0.2
121.02947	2.1
123.00894	0.6
123.04539	0.5
124.98791	0.2
125.02454	0.4
127.04057	0.2
133.02936	0.2
135.00890	0.2
135.04504	0.2
136.98819	0.7
137.02441	7.7
137.93613	0.1
137.99550	0.3
138.02756	0.2
139.00371	3.8
139.04005	1.1
140.01170	0.9
141.01930	4.2
149.02373	0.2
151.03976	0.9
153.01929	5.7
154.02541	0.2
155.03465	0.4
164.01146	0.6
165.01918	8.7
165.99071	3.7
166.02562	0.6
166.99840	1.9
167.03529	0.7
177.01904	0.5
179.03505	0.4
181.01421	9.2
182.02200	100.0
183.02960	87.7
184.03293	2.4
186.01694	0.3
193.05022	0.4
194.02190	1.1
195.02968	1.7
207.02994	0.5
225.04118	0.7
279.23352	1.6
327.07181	1.4
345.08188	0.6
491.21484	0.2
607.31201	77.4
608.31525	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	608.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	13.4
59.01383	5.3
61.98824	4.7
70.02962	3.7
71.01379	2.6
71.51848	1.2
72.00912	2.7
74.02474	4.2
85.02953	1.1
86.02460	1.8
89.02450	2.2
91.05519	3.3
99.05647	3.2
101.02469	2.8
116.92861	1.8
119.03436	1.4
123.59228	1.2
125.02456	2.0
126.11843	1.2
126.90405	1.0
128.03519	8.5
137.02455	1.4
138.02019	1.2
143.04610	11.7
146.04565	1.2
147.04503	19.8
149.45384	1.1
153.06799	1.0
160.00719	3.0
161.02434	1.2
164.07159	58.7
166.99886	1.0
171.04181	1.2
175.39984	1.2
177.03346	1.2
179.04596	1.6
183.03021	1.2
196.50511	1.0
206.08212	100.0
207.08527	3.9
210.08774	2.2
247.54955	1.1
250.07092	1.6
254.07774	3.8
255.02975	1.8
272.08859	5.6
283.02396	1.4
288.06375	1.6
289.07178	1.1
306.07654	36.2
549.25781	1.8
572.74072	1.4
592.30609	1.3
608.16913	10.9
608.26910	3.4
609.14728	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	607.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.8
61.65376	0.4
61.98826	2.7
69.99503	1.2
71.01373	0.5
88.74985	0.4
88.98785	0.4
93.03445	2.1
107.01362	1.4
109.02979	0.5
109.26019	0.4
117.03490	0.7
119.01421	0.5
121.02976	0.8
134.03722	1.5
135.00874	1.4
135.04521	0.5
137.02531	0.6
143.04980	1.6
145.02914	1.1
151.00356	0.7
153.01952	1.0
155.05052	0.7
157.06602	1.3
159.04495	2.0
161.02367	0.5
163.00327	1.9
165.01878	0.6
167.05022	0.5
169.06508	0.7
171.04559	0.8
175.03944	0.9
182.02194	0.6
183.02937	1.1
183.04440	0.5
185.06085	2.4
187.03967	3.6
188.89664	0.5
189.05563	1.4
193.05119	0.7
197.06123	1.1
199.03990	1.0
201.05574	1.0
209.08144	0.7
211.03987	2.3
213.05577	2.1
227.03491	5.4
229.05023	12.7
237.07626	1.4
239.03456	2.0
240.04295	0.8
241.05043	1.3
243.03008	0.5
255.02998	8.0
256.03638	2.0
257.04544	7.0
267.03046	1.5
273.73911	0.5
280.09479	1.2
281.10324	1.0
283.02472	2.2
284.03262	6.6
285.04025	100.0
286.04416	3.5
299.05670	2.4
383.72659	0.4
396.42999	0.4
413.08652	1.6
425.14743	0.9
431.09760	1.1
443.15558	1.8
444.15900	1.4
445.15955	2.4
507.49756	0.4
559.98499	0.4
607.14471	4.5
607.31427	0.8
608.14893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01374	5.6
67.06200	1.4
69.88356	3.4
69.88769	5.7
71.01373	2.6
75.00881	9.0
83.01396	8.7
85.02938	15.6
86.74470	1.6
89.02430	3.4
93.03462	1.6
95.05019	1.3
96.96004	5.0
101.02410	2.4
109.02959	1.6
109.52885	1.6
113.02466	1.9
125.02441	1.8
131.04994	1.8
133.05600	1.8
133.06593	36.9
137.02464	4.7
145.02928	2.1
146.03729	9.6
147.08128	4.2
149.06084	2.8
153.01945	3.3
154.04404	1.3
159.04544	1.6
163.06125	1.6
164.71155	1.6
165.01903	3.5
170.33459	1.6
172.13680	1.5
173.06119	3.6
173.44115	1.6
175.03986	1.6
175.07640	13.3
181.01402	4.4
182.02194	40.6
183.02963	39.6
189.09196	5.3
195.02988	2.5
208.03766	3.2
209.11787	4.9
217.08664	8.1
261.07654	100.0
262.08078	6.3
299.05414	1.6
321.90384	1.8
345.08237	72.1
346.08621	4.6
349.17487	1.8
371.09747	5.0
389.74979	1.6
397.13382	2.4
425.14651	1.9
479.82074	1.8
607.16321	12.1
608.16895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
59.01374	4.2
61.98816	0.4
63.02371	0.3
67.01887	0.3
69.96807	1.6
71.01379	6.0
72.99297	0.7
73.02919	0.5
75.00872	1.9
78.95901	0.5
83.01405	0.7
85.02946	7.8
87.00857	1.0
89.02428	1.0
91.01907	0.4
93.03445	1.3
95.01377	2.2
96.95964	0.8
99.00873	2.6
101.02433	0.5
103.00356	1.3
107.01359	1.4
109.02920	1.1
113.02444	12.1
115.00383	0.7
116.92935	0.4
117.01920	1.0
117.03464	0.6
118.84071	0.3
119.04965	0.4
129.01917	1.2
135.00850	1.1
137.02382	0.4
143.04991	0.9
145.02960	3.7
151.00340	2.0
153.01904	0.3
154.04199	0.5
157.01422	0.3
157.06557	0.7
159.04491	1.2
161.02496	0.3
163.00385	1.8
165.01868	0.5
167.04971	0.3
168.05748	0.4
169.06561	0.6
171.04485	0.9
173.05957	0.3
175.02478	5.1
183.04419	0.4
185.06041	3.1
187.04004	2.6
189.05533	1.2
195.04497	0.7
197.06035	1.0
199.03975	1.0
201.05536	1.0
211.03954	1.4
213.05537	2.6
214.02611	0.4
223.04073	0.4
227.03461	2.6
229.05037	11.1
230.05299	0.5
239.03435	1.2
239.06996	0.6
240.04347	0.4
241.04948	1.6
243.03328	0.4
255.03070	1.5
255.10120	0.7
256.03726	0.7
257.04547	6.6
267.02893	0.8
284.03134	0.8
285.04010	100.0
286.04388	4.1
299.09073	0.5
327.05338	0.4
401.18146	0.3
461.07217	52.4
462.07666	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	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74978	0.1
55.77343	0.1
59.01362	0.1
61.98827	100.0
62.98520	0.1
69.23889	1.0
78.95922	0.3
79.59272	0.1
79.78056	0.1
82.44024	0.1
83.01392	0.1
88.59686	0.1
117.02853	0.1
123.87582	0.1
125.46007	0.1
126.65988	0.1
152.99594	0.1
174.32518	0.1
209.11758	0.2
228.66873	0.1
280.51883	0.1
308.19589	0.1
405.50699	0.1
418.76196	0.1
445.16745	0.2
606.38568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42034	0.4
57.03440	0.6
58.74535	0.4
58.85766	0.5
59.01381	2.5
63.02405	1.2
65.00330	0.8
71.00684	0.9
71.01380	7.9
72.99312	1.0
75.00905	0.5
78.15054	0.4
83.01397	1.6
85.02953	4.8
87.00883	1.1
93.01649	0.4
93.03463	2.4
95.01403	1.7
99.00890	1.2
103.00382	1.4
107.01401	3.0
109.02966	1.0
111.00918	0.6
113.02451	5.7
115.00372	1.5
117.03463	18.4
119.01440	0.5
119.05026	8.9
131.05035	0.6
133.06586	0.6
135.00905	0.8
143.05037	1.4
145.02956	100.0
146.03284	2.1
151.00366	4.5
154.04260	0.4
157.01492	0.8
157.06506	0.9
159.04501	2.2
161.02399	0.4
161.06094	0.9
163.00354	1.7
163.04010	8.0
163.05270	0.8
167.05063	1.0
169.06561	0.8
171.04463	0.5
173.06119	0.5
175.02473	7.2
175.03972	0.7
183.04532	0.8
185.06076	2.3
187.04025	4.5
189.05598	1.4
195.04498	0.6
197.06023	1.1
199.03992	0.8
201.05560	1.4
203.03450	1.7
211.03906	1.6
212.04863	0.6
213.05522	2.1
227.03490	6.1
229.05038	12.4
238.77003	0.4
239.03439	1.2
240.04150	0.7
241.05029	1.6
253.05058	0.4
255.02957	11.6
256.03632	1.4
257.04514	5.7
258.04657	0.5
261.04050	0.5
267.02994	1.1
283.02264	2.4
284.03244	14.1
285.04028	86.6
286.04407	3.5
321.06134	30.8
322.06528	1.3
325.03406	0.5
443.06158	34.9
444.06564	1.9
461.07178	0.8
607.10962	7.2
608.10968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50436	0.2
57.03446	0.6
59.01378	2.7
61.98792	0.2
63.02394	1.1
65.00328	0.6
67.01888	0.3
68.99809	0.3
69.30991	1.9
71.01379	7.7
72.99306	1.0
75.00867	0.5
83.01390	1.2
84.69236	0.2
85.02948	4.8
87.00893	1.0
92.36086	0.2
93.03454	2.3
95.01382	1.9
97.02959	0.2
99.00880	1.5
103.00376	1.6
107.01376	2.2
108.02202	0.2
109.02944	0.7
111.00884	0.4
113.02446	6.7
115.00376	1.3
117.03459	18.3
118.03793	0.3
119.05027	7.8
121.02969	0.6
123.04526	0.2
130.04190	0.4
130.77139	0.2
131.05049	0.6
132.05783	0.2
133.06505	0.2
133.80205	0.2
135.00877	0.9
143.05037	0.9
145.02950	100.0
146.03275	2.7
147.04555	0.8
151.00354	3.3
154.04288	0.6
156.05757	0.3
157.01468	0.4
157.06552	1.1
158.03662	0.5
159.04489	1.9
161.02420	0.3
161.06094	0.7
163.00360	2.1
163.04008	6.8
164.01170	0.3
164.04369	0.3
165.01932	0.4
167.05011	0.6
168.05704	0.4
169.06599	0.9
171.04527	0.9
173.06053	0.7
175.02475	6.1
175.03954	0.4
177.05540	0.3
183.04495	0.6
185.06064	2.2
187.04018	3.8
189.05539	0.8
195.04454	0.5
196.05396	0.3
197.06088	0.7
198.03134	0.2
199.03946	0.6
201.05595	1.0
203.03487	1.8
205.05063	0.3
211.03961	1.4
212.04852	0.3
213.05540	1.8
214.02788	0.5
215.03442	0.5
217.05019	0.6
227.03516	6.5
228.03978	0.3
229.05038	10.9
230.05374	0.5
239.03456	1.4
240.04243	0.5
241.05061	0.9
243.02945	0.7
255.02971	10.0
256.03601	1.4
257.04535	4.6
261.04019	0.4
267.02902	0.6
269.04547	0.4
281.04684	0.3
283.02301	1.6
284.03256	13.3
285.04025	70.4
286.04349	3.7
297.04037	0.3
321.06137	28.0
322.06488	1.6
325.03412	0.5
399.07419	0.4
443.06171	27.3
444.06415	2.1
461.07208	1.2
607.10809	5.2
608.11255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11953	1.1
56.12802	1.1
61.98821	6.0
68.11356	1.1
69.26563	6.2
69.26984	3.6
83.01343	1.6
85.02995	1.3
88.98804	1.5
91.38309	1.3
93.03442	1.2
96.95999	1.8
109.02957	1.8
111.00829	1.1
118.22284	1.2
119.03484	1.2
133.02927	1.4
135.04514	41.4
137.02432	4.2
141.01924	1.5
153.01924	19.3
153.05466	1.3
165.01871	3.4
179.03479	19.9
181.01418	34.0
182.02208	22.0
183.02968	29.5
183.13799	1.1
185.11839	2.9
195.87944	1.1
207.02951	2.6
211.13419	13.6
212.13664	1.6
227.12683	1.7
229.14438	8.0
251.32747	1.2
285.06247	1.2
327.07141	34.2
328.07541	2.2
345.08145	8.5
427.16385	1.5
458.11261	1.3
507.11392	100.0
508.11792	6.2
554.61646	1.2
606.21863	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	606.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51526	1.3
51.45963	1.4
61.18908	1.6
61.98823	4.1
68.99567	19.7
71.43945	1.6
71.44292	2.2
72.09519	1.5
83.01392	2.3
92.70947	1.4
109.02943	2.4
111.00895	2.0
112.98560	15.4
114.93392	4.8
121.02836	2.2
133.02971	2.1
135.04527	57.0
137.02422	4.0
141.01903	2.0
153.01923	21.7
153.05583	2.9
154.02290	1.7
165.01877	4.5
167.03453	1.8
179.03496	22.8
181.01413	42.2
182.02205	33.5
183.02962	37.0
184.03328	2.7
207.02997	1.9
285.06036	2.5
327.07147	39.9
328.07553	3.4
336.95795	1.4
345.08203	10.5
346.08505	3.5
507.11411	100.0
508.11716	8.6
607.17072	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25037	0.8
59.01372	4.1
61.98826	9.1
69.44936	4.8
71.01367	2.7
73.02959	1.0
77.10633	0.8
79.95770	1.0
83.01376	1.9
85.02940	1.5
89.02419	1.5
97.02950	1.9
97.29015	0.8
101.02442	2.6
101.46851	1.0
113.02416	1.2
114.93452	0.8
115.06653	0.9
119.03489	0.8
135.04504	1.5
137.02420	2.9
141.01891	2.3
150.03242	0.9
153.01988	4.1
154.02200	1.5
165.01881	3.3
166.02675	1.1
167.03496	1.0
171.10205	1.6
177.61447	0.8
179.03424	1.0
181.01405	4.0
181.05038	2.0
182.02205	21.4
183.02982	35.9
184.03252	3.0
193.05075	1.5
193.08525	1.0
195.02959	1.3
197.11835	2.9
207.02994	1.7
207.06659	1.1
207.10233	0.9
209.04675	5.4
209.08194	17.4
209.11510	1.0
210.08549	0.8
211.13371	1.9
211.84274	0.8
235.09689	0.9
236.06944	3.9
237.04185	4.2
237.07674	35.1
238.08002	1.8
251.09174	1.6
252.09956	4.8
253.09251	8.5
279.08655	1.2
280.09497	35.8
281.10196	11.8
282.10477	1.1
291.19623	8.3
309.20697	20.0
327.07126	3.3
328.07498	5.2
345.08350	8.8
346.08527	4.7
399.12924	2.3
425.14447	1.9
443.15546	100.0
444.15900	7.7
542.23138	7.3
605.19806	0.9
606.20313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
57.21596	0.6
59.01379	0.6
67.01892	0.7
69.03451	1.4
69.38372	0.4
69.84647	1.6
71.01394	0.6
75.92514	0.6
77.03957	0.7
80.71128	0.4
81.03455	1.1
83.01379	2.5
93.03479	0.5
96.99364	0.5
97.02952	1.6
99.00880	2.0
108.02143	0.8
109.02927	1.6
110.00102	2.5
111.00870	3.6
121.02943	2.2
123.00916	0.6
123.04513	0.9
136.98802	0.6
137.02443	8.3
139.00374	3.4
139.04012	1.2
140.01132	1.4
141.01923	4.8
144.06157	0.4
146.19691	0.4
151.03970	0.5
153.01930	6.2
164.01158	0.7
165.01918	9.9
165.99083	3.8
166.02715	0.7
166.99925	2.5
167.03503	1.1
177.01974	0.6
181.01421	8.5
182.02194	100.0
183.02966	88.5
184.03342	2.0
194.02200	1.0
195.02959	1.8
207.02980	0.7
225.03947	0.6
269.68512	0.5
277.21606	1.6
290.17358	0.5
327.07144	1.7
605.29614	87.5
606.29950	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	604.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59819	1.4
56.87631	1.4
59.01373	5.6
60.65751	1.3
61.98828	68.7
71.01376	4.5
71.52387	1.3
71.52824	2.1
74.82006	1.4
81.03447	2.1
81.95054	1.5
83.01400	3.9
85.02944	2.6
89.02460	2.1
96.96012	1.8
97.02971	3.5
99.00900	2.8
101.02421	2.2
107.42110	1.4
109.02940	2.7
111.00886	4.1
115.00374	1.5
120.76688	1.4
128.03571	2.1
135.04523	2.0
136.98799	2.6
137.02435	8.3
139.00421	3.1
139.03983	2.6
141.01958	3.4
143.04596	3.3
153.01935	32.5
154.02280	1.3
162.68423	1.5
165.01880	9.3
165.99094	1.8
166.02673	1.5
167.03453	2.1
171.10286	1.9
179.14102	1.3
181.01411	58.2
181.50415	1.3
182.02197	100.0
183.02972	99.7
183.13846	2.8
184.03345	5.0
194.02191	1.5
195.03044	2.3
195.13734	2.0
197.11838	2.0
207.02962	3.6
209.08282	7.2
211.13431	3.4
213.14941	3.9
225.03897	2.2
231.06865	1.4
237.03955	3.8
237.07710	16.8
249.04036	1.6
252.10085	2.9
253.09209	1.9
280.09525	21.2
281.10333	7.8
291.19696	4.3
306.07651	4.0
309.20712	11.5
327.07172	69.7
328.07529	3.9
345.08240	96.7
346.08521	3.9
425.14520	2.0
428.15598	1.4
443.15540	61.6
541.22913	66.4
542.23047	6.6
619.31116	1.8
624.75024	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	605.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01130	0.1
59.01350	0.1
61.12318	0.2
70.89751	0.3
70.90092	0.2
77.34386	0.2
79.20362	0.2
79.95740	2.5
92.39178	0.1
96.96006	100.0
99.68140	0.1
116.92862	0.4
137.02452	0.2
165.01886	0.2
181.01385	0.2
182.02188	3.0
183.02959	3.5
233.40851	0.1
235.09827	0.1
242.12996	0.1
263.08813	0.2
280.08862	0.2
280.98746	0.2
287.22318	0.2
345.08240	5.5
345.85364	0.2
346.08762	0.3
457.17078	0.3
458.17380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
57.03439	2.3
59.01375	2.5
64.52946	0.7
67.16987	0.7
69.03442	4.9
70.02976	2.8
71.01385	3.7
71.51556	0.9
72.99335	1.0
78.03487	1.0
78.95899	1.1
79.99303	0.9
82.02992	1.1
83.01328	0.9
84.04513	1.2
85.02950	42.4
86.02465	1.5
87.04528	4.1
90.07320	0.8
94.02975	1.8
96.00910	1.1
96.04550	100.0
97.02984	4.5
97.04869	1.7
97.45603	0.7
99.00892	4.1
101.02488	0.9
110.02454	1.0
111.00852	1.2
112.04057	3.6
114.01973	1.0
115.04030	4.0
115.48351	0.8
124.81234	0.9
126.05596	1.6
128.03532	7.9
129.01942	10.5
130.05098	0.8
133.01436	0.8
139.03995	1.0
140.03510	2.3
141.01945	3.8
142.00436	1.5
142.01453	14.0
158.03271	2.0
158.04578	39.2
159.02982	2.5
172.02507	3.0
188.05664	2.1
200.05650	2.7
201.04140	0.9
202.03561	18.2
218.06670	4.4
219.05042	4.0
262.05652	66.8
263.05994	1.5
288.27585	0.8
453.64743	0.8
506.01794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66118	1.2
59.01373	4.4
61.98842	6.4
62.39035	1.1
62.50742	1.5
69.03461	2.5
69.76703	6.6
81.85878	1.3
83.01389	2.8
97.02908	1.6
98.19918	2.4
99.00823	1.5
110.00128	1.2
111.00853	2.2
121.02922	1.8
137.02452	4.6
139.00385	2.0
141.01918	3.8
143.18622	1.2
153.01935	3.9
157.81421	1.1
165.01912	7.1
165.98990	1.9
171.10291	1.6
181.01451	5.8
182.02200	98.3
183.02971	81.7
183.04301	1.0
184.03278	1.6
202.74745	1.2
211.13345	2.4
253.09320	2.6
254.09601	1.6
289.18097	3.1
290.18515	1.8
306.07281	1.5
307.19211	1.8
308.19461	1.5
405.11810	1.4
425.14792	1.3
541.22894	100.0
542.23309	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	604.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24722	0.7
59.01368	0.9
61.98829	1.6
69.32304	6.3
71.01402	0.7
75.00839	0.7
78.37787	0.7
78.39225	0.7
83.01376	1.8
85.02909	0.7
87.22445	0.7
94.84499	0.7
96.96015	1.7
99.92587	1.1
100.69979	0.7
102.05608	8.3
102.79940	0.7
116.92858	6.7
128.03549	6.2
137.02435	1.6
138.03264	1.0
141.01999	0.8
146.04588	10.3
153.01894	4.1
155.13266	0.8
161.02391	1.3
163.04021	2.3
165.01883	3.4
166.02681	1.3
178.02785	0.8
179.03430	2.5
181.01395	2.2
181.05029	1.7
182.02182	15.2
183.02946	14.2
184.03256	1.1
191.03485	1.8
192.04175	0.8
205.05048	5.0
206.09291	0.9
207.02942	2.9
209.04543	5.5
217.08939	0.9
219.10175	1.2
233.04532	8.8
233.08157	1.4
234.08887	1.4
235.09753	14.0
245.08202	0.7
249.11153	0.8
251.09308	2.4
261.07599	1.8
262.08456	23.9
263.09195	20.6
264.09653	1.6
267.12366	2.2
275.09189	1.1
279.08725	22.5
280.09024	1.4
294.11078	10.0
295.11783	3.9
306.92975	0.7
345.08243	20.0
425.14484	19.4
426.14917	1.9
449.65259	0.7
457.17114	100.0
458.17462	10.5
561.10974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91394	1.0
59.01372	1.2
61.98825	2.6
69.17698	10.5
71.01377	1.1
79.95715	1.3
83.01376	1.5
96.96011	60.0
102.05606	5.7
113.74149	0.9
116.92856	5.6
117.27269	0.9
127.86631	0.9
128.03554	5.0
137.02435	1.3
141.01942	1.4
146.04599	7.1
153.01949	4.1
163.03992	2.6
165.01935	5.3
166.02725	1.1
173.11383	1.1
177.05511	1.4
179.03528	1.9
181.01456	1.5
181.05110	1.4
182.02188	19.4
183.02959	19.5
191.03494	2.3
195.02919	1.4
197.65411	1.0
205.05035	4.0
206.09470	2.4
207.02966	2.5
209.04535	4.1
233.04565	8.9
234.09010	1.1
235.09764	15.1
251.09230	2.9
261.07736	1.0
262.08429	22.6
263.09219	22.0
264.09778	2.2
267.12384	1.5
279.08722	23.8
294.11179	9.7
295.11722	3.5
345.08218	26.2
346.08594	1.6
382.85077	1.5
407.13617	1.3
425.14490	18.5
457.17136	100.0
458.17514	6.3
478.64261	1.4
535.21185	1.0
537.50824	1.1
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
53.65802	0.5
54.01093	0.6
54.44454	0.5
59.01372	0.7
59.48940	0.5
60.99302	16.8
70.10636	1.6
71.59476	0.5
87.00879	1.6
88.00394	3.8
88.98801	100.0
89.02438	33.5
107.11925	0.5
160.72087	0.5
183.80981	0.7
277.21985	0.8
352.26715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93038	0.6
58.23502	0.7
59.01365	1.1
60.99304	15.9
61.98832	0.8
68.99552	2.9
70.52645	2.2
78.95894	1.4
87.00877	1.4
88.00404	4.0
88.98801	100.0
89.02438	31.0
89.02840	0.6
112.98534	2.5
139.44209	0.8
150.46506	0.7
152.99535	1.2
156.28549	0.8
171.10234	1.5
284.86661	0.8
332.74496	0.8
332.96326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
57.03452	1.7
59.01377	38.7
61.98834	1.3
64.14486	0.7
64.68134	0.7
69.03459	0.9
71.01377	9.4
73.02959	1.6
74.02509	0.6
79.59734	0.8
80.02676	1.0
81.03467	2.7
83.01368	3.4
83.05011	0.9
85.02961	3.3
87.00886	1.9
89.02435	8.6
95.01362	1.4
95.05017	1.2
97.02945	1.9
97.06586	4.8
101.02439	9.5
101.73584	0.7
106.04234	0.8
109.06610	1.8
110.03691	0.8
112.62514	0.7
113.02430	5.5
119.03493	2.5
119.08643	1.4
121.06611	1.8
123.04544	3.5
123.08187	1.5
125.06100	1.0
125.09725	7.2
128.03577	0.8
135.08154	1.3
137.09727	2.8
141.12865	1.5
142.02698	0.8
143.03474	1.8
143.04610	1.8
146.02124	0.8
147.28580	0.7
149.06021	0.9
149.09784	1.1
151.11185	0.9
161.04555	4.6
163.11281	9.0
165.12848	1.7
167.10817	1.2
171.10272	2.3
175.11290	1.0
179.05605	1.9
179.10736	1.1
181.12357	1.4
183.03006	0.7
185.11829	7.3
189.12785	0.8
191.10841	1.0
191.14415	10.8
207.10239	4.3
209.11815	21.9
210.12065	1.1
211.13359	3.0
212.13684	0.9
217.15872	1.4
225.11282	4.1
235.08141	1.9
237.11261	4.4
245.19060	20.4
246.19383	1.6
253.09282	43.9
263.20111	5.3
271.17029	2.9
289.18079	100.0
290.18423	5.6
291.06573	1.2
306.07709	2.6
307.19125	94.2
308.19431	5.5
335.12881	0.8
337.81171	0.7
445.20685	0.8
539.20386	0.9
543.27997	4.4
570.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.2
61.98814	3.1
71.01369	2.7
71.51985	2.3
81.70689	1.5
83.01386	5.8
85.02957	2.0
97.06602	1.4
99.00866	2.6
111.00923	1.8
112.20357	1.6
119.24069	1.3
119.48133	1.4
123.00899	2.0
124.01691	2.0
128.03511	2.8
131.90706	1.3
137.02422	3.8
141.01949	14.5
143.04590	2.8
150.03214	1.4
153.01862	3.0
163.03990	5.8
164.04709	2.9
165.01900	6.2
167.03508	2.0
171.10226	6.7
172.10654	2.4
175.76564	1.4
177.05580	2.4
179.03447	5.2
181.01398	2.6
182.02202	3.5
183.02834	2.0
187.03925	1.5
191.03506	5.2
205.05029	10.2
207.02936	7.4
207.04926	2.1
209.04527	1.6
209.11870	3.3
211.13399	4.4
212.13734	2.6
219.02966	1.7
233.04546	14.3
259.72736	1.6
277.14554	1.7
289.14386	2.3
291.06638	12.5
293.13831	8.8
305.13968	4.6
306.07703	2.4
307.15405	2.7
309.13364	2.1
331.15561	2.4
333.13602	6.5
333.16858	1.6
334.14087	3.8
335.12524	14.7
347.14856	4.2
349.16415	5.4
357.08319	1.6
359.14966	2.6
367.12009	1.6
370.25562	1.4
375.14551	2.0
376.10312	2.0
376.15216	42.9
377.15945	21.3
381.13477	1.7
393.15482	7.5
407.81598	1.5
408.17319	2.2
409.18820	1.8
495.12814	1.8
527.15387	1.8
539.21216	100.0
540.21191	5.3
559.20190	1.8
570.21014	18.9
571.23981	83.8
572.24042	6.8
586.20990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
59.17159	0.6
61.98826	1.4
63.17254	0.7
69.94186	0.5
70.70136	1.3
71.01382	1.3
75.00875	1.0
79.01874	1.0
83.01402	1.4
85.16524	0.5
95.05128	0.6
97.02960	1.2
99.00880	0.9
104.93318	0.5
109.02950	0.9
110.00069	0.7
111.00837	1.2
119.05058	0.7
121.02951	0.8
123.04461	0.8
124.63750	0.6
125.02399	1.5
125.19655	0.6
137.02425	4.5
137.97302	0.5
138.03230	10.6
139.00356	1.6
139.03986	1.3
141.01926	2.2
151.00395	0.8
151.03981	1.3
153.01962	1.8
163.04022	1.5
165.01904	5.7
165.99123	0.7
166.02693	4.2
166.99800	1.0
167.03491	6.8
170.02216	6.2
171.10262	7.6
172.10556	4.2
173.10805	0.8
179.03496	0.6
181.01405	2.7
182.02200	56.6
183.02971	57.0
184.03282	1.5
194.02196	18.5
195.02980	6.6
202.06487	0.6
207.02925	0.8
207.05200	0.6
208.39186	0.6
211.13393	5.9
212.13692	4.8
215.03516	5.8
230.05817	26.5
233.08165	0.8
235.09836	0.6
245.08157	39.0
246.08568	1.6
253.09256	0.7
261.65375	0.6
263.09195	1.0
345.08234	100.0
345.39511	0.6
346.08566	4.6
357.08234	52.0
358.08545	2.9
366.68912	0.7
407.13507	1.8
439.16327	1.2
457.17044	2.6
603.17670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
59.01381	14.7
61.98821	3.5
68.22468	1.0
70.66431	1.9
70.66802	2.2
71.01370	4.9
78.00531	1.1
79.01900	1.9
79.63999	1.1
83.01403	1.9
89.02422	3.2
97.06593	3.6
99.09135	1.0
101.02424	3.1
111.00941	1.2
113.02455	1.7
116.72659	1.1
125.02450	1.6
137.02412	5.2
138.02231	2.1
138.03223	23.8
139.03998	1.8
151.00349	1.4
151.11284	2.6
151.44009	1.2
153.01939	1.3
155.10797	1.7
163.11218	1.1
165.01933	2.4
165.12868	2.8
166.02699	10.6
167.03514	13.1
170.02202	13.3
171.10231	6.5
172.10585	3.4
179.10857	1.5
181.12300	2.9
182.02167	3.0
183.02957	2.4
183.13905	1.5
183.31404	1.1
191.10776	1.8
194.02184	33.6
195.02977	9.4
207.05414	1.1
209.11806	15.4
211.13342	7.4
212.13647	3.7
215.03487	6.9
227.12784	3.2
230.05806	30.3
231.06244	1.3
245.08165	46.4
245.19080	3.4
246.08537	1.7
253.09235	10.7
263.20129	4.7
289.18106	7.4
307.19116	26.7
307.22552	1.8
329.09241	1.2
345.08176	4.4
357.08231	100.0
358.08517	4.0
445.20663	5.8
460.19476	1.6
518.80511	1.3
543.28113	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	603.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35831	0.7
58.70531	0.7
59.01374	9.7
61.98816	3.5
69.22131	7.0
71.01010	1.3
71.01378	13.9
72.99311	1.4
73.02921	1.3
75.00864	0.9
83.01383	3.1
85.02953	1.9
87.00871	26.2
88.97147	0.8
89.02453	1.1
96.28893	0.8
97.02966	1.0
99.00884	0.8
101.02420	1.2
109.91579	0.9
112.98782	1.0
113.02408	1.4
114.99567	1.7
115.00369	34.5
137.02412	4.1
141.01920	1.2
145.02930	1.3
153.01944	1.3
156.60316	0.8
157.08669	4.3
158.51230	1.1
161.02385	1.1
165.01913	7.2
166.02753	1.8
167.03456	1.1
170.02139	1.1
171.10176	2.6
175.02470	68.9
179.03497	6.1
181.01376	1.8
181.12471	1.0
182.02185	9.7
183.02985	6.7
185.11745	1.1
193.05006	2.8
195.03000	2.2
195.10115	1.1
199.72287	0.8
207.02985	12.7
207.06612	4.9
209.11716	2.6
219.10280	1.5
221.04485	3.6
227.12846	1.9
229.99736	0.9
233.08307	0.9
235.06071	7.1
235.09763	1.9
237.04074	1.2
237.11325	14.1
253.09235	0.8
264.10001	47.9
265.10748	25.0
277.10733	1.3
278.07941	2.1
279.08737	2.7
294.07227	1.4
345.08038	1.0
427.16037	100.0
428.16406	5.0
441.13858	8.2
457.13269	3.9
472.83377	1.0
474.46844	0.9
499.18118	1.0
511.11823	0.9
553.19287	2.4
603.22430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98833	4.6
71.52818	1.5
80.91600	0.9
83.01401	2.1
109.02945	48.4
111.00922	1.0
125.02397	1.3
137.02402	5.1
138.03198	2.0
142.87332	0.9
150.03185	1.6
153.01897	1.5
165.01918	25.3
166.02614	1.8
167.03421	1.4
170.02206	1.3
177.01898	1.2
179.03477	6.0
181.01456	2.2
182.02135	2.5
183.02934	2.5
193.01427	10.0
194.02199	2.5
195.03185	1.2
205.01329	2.4
206.02118	1.5
207.02980	10.7
218.99321	2.3
219.02899	1.1
221.04630	1.2
222.01746	4.3
223.02382	1.7
233.99464	1.9
234.01669	20.2
235.02463	21.7
236.02827	1.1
239.05528	2.7
254.04320	2.3
261.03717	0.9
265.03568	1.3
266.04297	62.2
267.05026	21.8
275.10004	0.8
303.05075	6.0
327.07162	1.4
345.08194	1.6
376.07941	9.9
377.08707	6.7
397.07672	3.9
411.09015	1.1
429.10339	55.0
430.10519	3.5
539.14038	100.0
540.14374	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	602.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55652	1.8
61.98826	6.3
63.32112	1.8
102.26278	1.8
104.43170	1.7
121.02910	1.5
134.52444	1.5
137.02414	5.4
139.00314	3.3
141.01913	3.3
153.01945	3.6
165.01904	6.9
171.10266	40.6
172.10600	9.6
177.79601	1.7
181.01433	4.5
182.00925	1.3
182.02191	78.3
183.02965	78.7
183.13774	2.2
195.02914	4.0
211.13371	31.4
211.15208	3.1
212.13734	11.1
232.17477	1.6
253.09343	3.5
396.67902	2.0
539.21301	100.0
540.21478	7.6
590.36774	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	601.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49108	1.0
58.02996	1.7
69.96612	3.1
69.97030	1.5
72.00916	2.4
74.02477	6.1
77.14292	1.1
78.95925	1.9
82.02991	6.7
84.04553	6.7
85.02948	1.4
86.02487	2.4
92.63084	1.0
95.58572	1.0
96.96021	3.9
96.96944	2.5
101.07210	2.8
112.04046	2.5
114.12894	1.0
125.02417	2.2
126.09248	1.5
127.05131	8.9
128.03542	60.7
129.03874	1.3
133.01357	1.3
138.09291	1.1
155.11867	1.4
161.02463	2.1
165.99063	2.0
166.41095	1.1
167.03429	1.3
167.11992	1.5
169.13426	7.0
170.30968	1.0
179.03539	1.3
183.01736	3.2
195.11386	15.7
213.12433	100.0
214.12791	4.2
232.08086	1.1
236.81587	1.0
239.10349	4.6
251.07996	17.1
257.11407	63.4
258.11710	3.1
259.12143	1.4
295.06836	9.0
305.06662	2.7
318.31470	1.3
417.73959	1.1
497.33627	1.3
601.12793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87328	0.2
55.01873	0.7
55.25531	0.2
56.37305	0.2
57.03454	1.3
58.00595	2.4
59.01376	53.7
62.14379	0.3
68.99812	0.4
69.03447	0.8
71.01377	49.5
71.74638	0.2
72.01717	0.3
72.99300	2.9
73.02944	3.5
75.00864	0.7
80.90186	0.2
81.03452	0.3
83.01383	6.3
85.02544	0.2
85.02949	8.2
87.00874	18.6
88.01183	0.2
89.02440	47.7
90.02808	0.3
95.01385	3.4
97.02953	1.0
97.06653	0.2
98.19914	0.4
98.80282	0.2
99.00877	1.7
99.04505	0.3
101.02438	24.7
111.00887	0.8
111.08172	0.2
113.02444	26.8
115.04016	0.8
117.01965	0.5
117.69962	0.2
119.03492	18.0
125.02438	1.3
129.01926	1.0
131.03482	3.0
141.01936	1.7
143.03499	8.3
149.04530	1.8
159.03026	0.4
159.99820	0.2
161.04549	9.1
167.03519	0.3
179.05595	19.5
180.05916	0.2
203.05626	0.5
233.06482	0.3
233.22758	0.3
235.76306	0.2
245.06720	0.3
255.20923	0.3
259.20618	0.4
273.22174	1.0
275.20279	0.4
277.21695	100.0
278.22025	5.6
291.23285	7.9
292.23398	0.4
301.21692	1.3
319.22754	4.8
320.23026	0.4
323.09796	16.4
324.10129	0.5
331.22733	0.3
341.10849	50.3
342.11301	1.7
349.23761	0.7
601.32251	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	601.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61787	0.5
59.01374	1.1
61.98826	1.9
64.42199	0.6
69.94386	2.2
96.27900	0.5
98.19960	0.8
99.33249	0.6
121.09949	0.6
126.14791	0.6
137.02480	0.7
161.92035	0.7
170.27327	0.6
171.10260	29.4
182.02242	1.1
183.02904	1.6
183.13852	1.8
187.07649	1.4
210.06854	0.9
211.07562	2.3
211.13371	28.8
212.13626	1.0
213.05540	1.8
225.05554	9.9
226.06212	2.2
235.08240	0.9
238.06343	2.6
239.07191	5.3
245.55704	0.6
253.09337	1.5
254.05821	81.5
255.06587	95.8
256.06955	5.4
265.05127	1.2
267.06598	3.6
278.05609	0.7
279.06750	0.8
296.06970	0.9
297.07629	1.8
309.11325	0.7
353.14035	5.2
377.13770	0.8
405.07187	0.6
407.19211	0.6
447.22733	1.5
458.12115	20.0
459.12881	11.2
515.19196	2.3
557.20233	100.0
558.20691	7.3
583.31189	1.0
591.04889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57693	0.8
59.01360	2.0
61.98811	2.6
66.27818	0.8
69.03443	1.9
71.01376	2.3
71.53427	1.0
73.02964	0.9
77.03975	1.0
78.95889	0.9
83.01389	2.9
83.05057	0.8
85.02931	1.0
87.00871	0.9
89.02440	1.5
95.18282	0.7
97.02966	1.8
99.00882	2.5
110.00080	1.4
111.00848	2.5
113.02425	1.3
115.00288	1.0
121.02960	1.9
137.02446	8.1
139.00357	3.9
140.01154	1.0
141.01935	5.2
153.01950	5.0
165.01912	9.6
165.99042	3.0
166.99829	1.8
167.03389	1.1
168.75809	0.8
171.10262	19.8
172.10515	1.2
175.02528	1.5
179.03360	1.0
181.01425	9.1
182.02197	100.0
183.02971	87.4
183.04318	0.9
184.03270	2.5
195.02960	2.8
209.11812	2.8
211.13400	16.0
212.68228	0.7
253.09351	1.1
254.05714	0.9
255.06502	1.1
277.07025	1.4
327.07230	1.9
345.08353	1.0
425.14447	1.3
439.12338	2.0
447.22293	1.3
506.76550	1.1
529.19458	4.5
555.20770	81.6
556.20996	5.9
557.19116	2.0
573.21753	7.2
583.20636	1.4
601.21570	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	600.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78928	0.1
59.01388	0.2
61.98827	100.0
63.99248	0.3
78.26026	0.1
81.31290	0.1
82.74516	0.1
96.96012	0.5
151.00400	0.2
151.60251	0.2
175.02519	0.1
224.31927	0.1
247.43535	0.1
262.08511	0.2
301.03403	0.2
302.03632	0.2
311.93134	0.1
375.27594	0.2
425.14847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51419	0.4
55.59768	0.4
57.03424	0.6
59.01371	6.5
61.98828	4.9
62.37357	0.4
71.01380	10.0
71.41121	0.7
72.99299	0.7
73.02927	0.6
75.00861	0.7
83.01390	2.1
85.02941	1.3
86.88555	0.4
87.00873	19.0
88.98798	0.7
89.02413	0.8
96.95995	1.0
99.00893	0.8
99.55192	0.5
101.02448	1.0
102.32236	0.5
113.02417	0.6
115.00371	24.9
119.05032	0.9
120.01260	0.5
124.01662	0.7
135.04541	0.7
137.02431	1.0
138.03198	0.7
141.01917	1.9
143.10753	0.6
147.08109	0.5
149.02431	0.5
150.03177	0.8
152.01161	0.6
158.25644	0.5
161.02499	0.7
161.09624	0.4
163.03987	4.1
164.04851	0.9
165.01921	4.2
166.02669	1.7
167.03502	0.6
171.10236	0.6
175.02464	49.3
176.02797	1.0
177.05548	1.6
178.02638	0.8
179.03487	2.1
181.01410	0.9
182.02136	2.1
182.40005	0.5
183.02971	3.4
184.03481	0.6
187.03969	0.7
191.03464	4.5
191.07127	1.1
192.04196	0.7
195.03012	0.5
203.06998	0.7
205.05035	9.6
206.09444	2.0
207.03050	2.7
207.04768	0.7
207.10216	0.5
209.08186	0.8
210.08551	0.8
215.03453	0.8
217.08673	0.9
219.06648	1.5
221.08128	0.6
229.05026	0.5
233.04523	20.3
233.08118	1.1
234.04819	0.5
234.08911	2.3
235.09732	11.8
236.10030	0.5
237.07608	1.7
238.08047	1.5
247.06155	0.8
261.07626	1.5
262.08438	40.5
263.09198	16.1
264.09735	1.4
275.09201	0.8
279.11060	1.8
280.11847	2.6
281.12350	1.3
345.08246	2.6
400.13193	0.7
425.14487	100.0
426.14920	6.1
427.16110	1.1
442.17050	3.2
443.17371	7.5
444.18365	0.9
601.24121	1.0
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
52.90178	0.5
58.78869	0.4
59.01380	2.4
60.18498	0.4
61.98829	26.0
65.00319	0.8
66.03464	0.8
71.00071	1.1
71.01373	2.0
75.00861	1.1
80.15253	0.5
83.01381	2.8
85.02952	0.6
86.02484	0.6
87.00864	1.7
89.02428	1.0
96.96004	0.7
99.00878	1.1
101.02410	0.7
108.04550	1.0
111.00845	0.7
113.02469	0.9
114.01958	1.7
115.00345	2.4
121.03013	0.6
124.21288	0.4
125.02409	0.8
128.03522	0.4
137.02444	4.1
139.00377	0.6
139.03984	0.5
141.01932	8.5
153.01955	3.2
161.02393	0.6
163.04012	1.6
165.01884	1.8
166.02730	1.0
167.03442	2.9
174.04086	1.0
174.05582	0.7
175.02466	4.8
177.05641	0.5
178.02769	0.5
179.03491	2.8
181.01433	3.5
182.02205	8.5
183.02969	7.9
183.10170	0.7
191.03406	1.0
194.02074	0.9
195.02930	3.0
196.03731	2.2
205.05045	1.5
206.11812	0.7
207.03015	3.5
207.04745	0.8
208.02306	2.5
209.04630	0.6
209.11873	0.6
218.08231	0.9
232.06128	1.1
233.04579	3.5
234.08783	0.6
235.06041	0.7
235.09721	9.9
244.06192	1.1
248.05579	0.8
260.05615	7.8
262.08456	7.4
263.09232	13.1
263.11984	0.8
264.09891	2.0
266.89429	0.5
272.05637	2.1
272.08813	0.4
273.06381	0.5
274.03949	0.6
276.05170	1.2
276.08771	0.5
286.07175	1.8
286.10413	0.6
288.05148	4.1
288.12473	0.7
289.05914	1.0
289.10556	0.6
290.06665	10.9
291.06772	0.6
298.10641	0.6
302.06680	2.0
302.10059	1.0
303.07318	0.9
305.12701	1.3
306.13348	1.3
314.06845	1.0
314.10150	1.0
315.07498	0.7
315.10913	0.8
316.04590	32.7
316.12085	1.4
317.04935	1.1
317.10220	0.9
318.09769	1.2
328.12070	0.5
332.07773	6.1
332.11288	1.0
333.12183	3.9
334.12961	2.5
335.13187	0.5
342.09949	0.6
344.07367	0.5
344.11459	0.5
345.08179	5.2
345.12268	1.1
346.08676	1.2
346.12759	0.5
350.08774	1.2
357.08224	0.9
357.12204	2.7
358.12863	1.0
359.10052	1.1
360.10745	2.1
375.13303	3.4
376.06741	14.6
376.14117	1.3
377.06830	0.8
377.11200	1.2
393.14142	0.7
420.12888	1.5
425.14526	16.6
426.14957	1.1
436.11172	1.1
437.13541	0.9
438.13828	0.8
496.18222	6.9
497.18796	0.8
513.11591	0.5
520.17883	2.6
522.16235	3.9
538.19202	3.9
540.17218	16.6
541.17572	1.4
556.20239	7.8
582.18213	12.3
583.18304	1.4
591.70068	0.5
600.19293	100.0
601.19623	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	599.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47269	1.4
70.70509	1.9
70.70835	2.8
71.01380	1.9
72.00915	2.5
74.02458	6.6
82.02978	6.9
84.04537	6.1
86.02469	3.5
95.81178	2.1
96.96024	1.4
99.36876	1.4
101.07172	3.7
112.04044	2.7
127.05148	8.4
128.03540	60.3
130.76538	1.4
133.02934	4.6
135.04517	4.2
138.09203	2.1
144.75082	1.5
161.02437	22.9
169.13412	5.1
179.03464	6.6
183.11369	2.3
195.11360	18.0
195.87468	1.6
200.66891	1.4
200.68814	1.7
203.03471	3.4
213.12431	100.0
214.12732	2.1
233.26646	1.6
239.10309	8.7
257.11411	96.8
258.11707	3.9
341.08618	9.5
480.18610	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	600.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19554	3.7
61.98817	7.7
66.93527	3.8
71.09007	5.3
83.01368	6.3
111.00897	4.4
124.17362	3.5
137.02422	8.9
141.01968	4.2
153.01964	5.9
171.10124	4.7
181.01463	5.0
182.02222	100.0
183.02953	80.1
184.03343	5.9
423.99295	3.8
537.19727	96.1
538.20471	4.3
600.27661	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	599.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12971	0.8
59.01374	3.8
60.99005	1.3
60.99305	20.0
61.98831	7.3
70.70533	1.8
71.01386	1.3
73.14703	0.7
83.01379	1.2
85.02960	0.7
88.98802	100.0
89.02445	1.8
89.99149	0.8
109.02962	1.8
111.00856	1.5
113.02511	1.0
119.05022	1.0
121.02953	16.2
125.02395	1.3
133.02885	0.9
137.02423	2.4
139.00356	1.3
141.01939	2.2
147.46541	0.7
153.01929	12.8
163.03888	0.8
165.01921	3.5
166.99754	1.0
167.03430	1.0
175.42120	0.8
177.02028	0.8
180.99783	1.1
181.01424	21.4
181.05005	4.0
182.02202	42.3
183.02966	53.6
184.03343	1.5
195.03041	0.9
207.02988	1.6
239.66220	0.7
241.10339	0.9
327.07190	34.9
328.07681	1.1
345.08237	77.4
346.08585	2.9
387.09299	30.5
388.09634	1.4
491.12006	3.3
497.91290	0.9
509.13013	18.2
510.13239	1.6
539.34552	4.4
599.10657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30059	0.1
59.01364	0.4
61.98828	100.0
62.99158	0.1
70.82585	0.4
71.01378	0.3
72.72921	0.1
75.00927	0.2
82.95624	0.1
83.01393	0.2
88.98808	0.1
96.95997	1.0
101.02390	0.2
108.90665	0.1
109.02961	0.1
125.02407	0.1
128.03600	0.2
137.02385	0.2
143.04666	0.2
143.31119	0.1
155.81371	0.1
161.02493	0.2
182.02243	0.5
183.03021	0.5
191.03517	0.2
205.57199	0.2
206.62411	0.2
231.06740	0.3
297.07770	0.1
298.08139	0.2
301.03683	0.2
315.08984	0.3
316.09180	0.3
322.69894	0.1
345.08362	0.6
375.27444	1.6
376.27832	3.2
392.37531	0.2
407.63507	0.1
508.57477	0.2
598.30969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10175	0.1
61.98829	100.0
63.99254	0.2
68.66814	0.1
69.16209	1.4
93.16137	0.1
121.02881	0.2
126.90415	0.5
136.42305	0.1
143.04607	0.2
153.81914	0.1
182.02242	0.3
183.02914	0.3
373.25952	0.2
403.75363	0.1
466.40939	0.2
508.12006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95235	1.7
58.59660	1.7
61.98817	6.9
76.27021	1.7
78.95894	6.4
82.95406	27.4
84.00903	100.0
84.95107	9.4
85.93642	1.7
89.82114	1.7
98.19862	5.4
151.82352	1.7
152.99530	4.8
182.16640	1.7
242.47632	1.9
253.09224	3.9
276.38998	1.9
277.21698	31.3
278.21844	2.4
280.23727	2.8
282.23730	2.4
291.23038	1.9
395.12363	1.9
598.29596	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	12.4
58.63572	0.6
60.35937	0.6
60.74685	0.5
61.98835	0.9
66.03471	0.9
66.86325	0.5
68.05062	0.7
69.85196	2.4
70.02947	0.7
71.01376	0.7
71.02533	0.6
72.00897	1.1
72.97512	1.9
74.00679	0.7
74.02471	22.5
81.04581	1.4
82.02956	3.4
84.04528	0.7
86.01985	0.9
86.02485	10.4
86.06122	1.4
87.05645	3.8
88.04034	0.6
96.04560	0.9
97.04054	3.5
98.20564	0.9
99.05641	19.2
100.00410	2.8
101.07210	3.3
102.05595	3.8
107.06140	1.5
109.04075	3.6
109.07698	1.1
111.05617	2.2
111.88239	0.6
112.04083	2.8
113.03603	1.0
113.04309	0.8
123.05649	2.4
124.04022	1.1
124.07603	0.8
125.03555	4.2
126.01994	0.8
126.04380	0.7
127.05129	3.5
128.03539	61.8
129.03873	1.1
135.05643	6.6
137.07211	1.1
139.56291	0.6
141.06703	3.1
143.04622	80.5
144.05003	1.2
145.06201	2.7
146.04597	8.9
149.07153	1.2
153.06680	5.4
155.08214	0.7
165.12856	1.3
166.09848	3.3
167.04568	3.9
167.08258	5.2
169.06197	0.8
170.03313	1.7
171.04126	1.4
171.10208	0.9
179.04626	20.3
181.06129	2.1
183.02950	0.9
185.04137	0.7
185.05617	3.2
192.07767	2.4
197.05676	3.2
210.08829	16.9
223.13423	0.6
228.09845	2.0
247.20576	0.6
254.07805	45.8
255.08083	0.8
256.11371	2.6
272.08862	100.0
273.09186	2.9
286.05121	0.6
291.19662	2.4
304.06250	0.7
325.18375	4.2
469.23682	3.7
483.12143	0.6
580.26904	5.0
598.28027	47.9
599.28656	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37474	0.4
54.71099	0.4
55.69832	0.6
58.02974	6.4
61.98833	3.7
66.03484	1.1
69.49053	3.3
70.02962	0.7
71.01375	1.1
71.55722	0.5
72.00909	1.1
72.69182	0.5
74.02473	15.2
81.04594	1.1
82.02980	1.8
83.01389	1.2
86.02483	5.8
86.06116	1.1
86.99097	1.1
87.05620	2.8
88.10067	0.5
90.00186	1.7
96.04578	0.7
97.04067	1.2
99.00835	0.5
99.05640	12.4
101.07188	2.2
102.05619	1.5
109.04067	1.8
111.05623	1.2
112.04031	1.5
113.03518	0.7
116.01741	0.9
120.01263	0.7
122.94641	0.5
123.05646	1.4
124.04035	1.0
125.03561	1.5
127.05134	2.5
128.03540	36.4
129.03868	0.8
129.99675	0.7
130.05148	0.6
131.04604	0.7
135.05646	3.9
137.02411	0.6
137.07234	1.0
141.06718	3.4
143.04617	48.8
144.04953	0.6
145.06184	1.9
146.04575	5.6
149.07230	1.1
153.01903	0.6
153.06679	4.2
154.99898	0.6
155.08238	0.9
158.14420	0.6
160.00735	13.2
166.09846	2.2
167.03426	0.6
167.04590	3.5
167.08249	2.2
170.03313	0.9
171.04153	0.8
171.10228	1.4
177.03368	4.5
179.04614	9.9
181.06151	1.6
182.02203	2.7
183.02914	2.9
184.03354	0.7
185.05713	1.6
192.07771	0.8
197.05652	1.9
199.07578	1.7
209.11786	1.2
210.08823	11.5
227.07129	0.8
231.04333	0.9
240.07045	0.5
242.07832	0.9
254.07823	15.0
271.06042	1.0
272.08847	28.2
273.09189	0.7
288.06580	10.2
291.19666	0.7
306.07626	100.0
307.07898	3.6
327.07184	1.4
469.23477	0.6
580.27301	1.3
598.28406	14.5
599.28955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01374	2.0
60.99287	0.3
61.98827	100.0
64.80804	0.3
68.53983	0.4
69.66042	0.9
69.66454	1.3
70.76697	0.3
71.01387	1.0
81.03430	0.5
83.01395	0.8
88.98814	1.0
89.02429	0.5
93.03459	1.0
94.98096	0.6
95.05028	0.7
96.96007	0.9
98.20634	0.6
101.02421	0.4
113.02409	0.4
119.05025	0.8
121.02942	0.7
123.04540	1.4
124.20434	0.3
125.02451	1.7
135.04515	2.4
137.06082	0.7
145.02940	0.5
149.02423	1.7
153.01936	0.5
157.12387	0.4
161.02425	1.3
163.03957	0.7
165.05545	0.8
167.03497	4.8
169.12349	0.7
171.10283	0.4
175.00322	0.4
177.01982	0.6
179.03471	1.3
181.01392	0.8
182.02179	1.4
183.02956	1.6
185.11787	0.9
191.03490	6.3
203.03403	0.5
205.05107	0.5
209.04561	1.5
215.12878	0.4
221.04564	0.5
224.78545	0.4
233.04500	1.0
245.08199	1.2
267.57755	0.4
273.07669	1.1
297.07639	4.1
298.08084	0.5
315.08722	8.4
316.08997	0.8
329.23328	0.8
339.08664	1.3
345.08359	2.3
357.26352	1.8
373.25897	0.8
374.26169	0.6
375.27478	51.0
376.27850	3.5
381.82999	0.4
417.12125	0.9
417.28629	0.6
433.12466	0.5
435.12921	3.4
435.22150	0.4
499.18854	0.4
597.22284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.2
61.98825	9.1
65.03592	0.3
71.01360	0.8
71.53165	0.5
81.03451	11.3
83.05020	35.7
88.98804	1.7
89.02436	0.5
96.96000	0.3
100.07677	5.4
101.02428	0.6
106.83166	0.4
113.02446	0.5
117.21024	0.3
125.02515	0.4
126.05534	0.5
149.02409	0.6
151.00337	0.6
161.02405	0.5
181.01485	0.4
182.15430	0.5
183.02930	0.4
199.18144	6.0
207.15018	0.8
224.17714	0.5
225.16037	7.8
234.01663	1.0
235.02379	0.7
243.17102	17.4
244.17433	0.7
253.88876	0.4
269.15027	1.3
284.03271	0.4
309.21848	1.3
345.08240	0.5
353.20779	7.8
359.49573	0.4
375.27600	0.7
397.07727	1.9
433.31998	0.5
447.20090	0.4
451.32520	2.1
469.33923	13.9
470.34033	1.3
495.31931	0.5
503.66199	0.4
507.10846	0.8
537.32941	1.0
576.39014	0.4
579.37476	2.9
580.37469	0.4
597.38635	100.0
598.38995	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	597.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14805	0.3
57.03446	1.2
59.01375	1.9
61.25005	0.3
61.98826	7.9
65.00333	1.1
68.99840	0.3
70.62634	0.5
70.62988	0.4
71.01368	1.5
73.02943	0.3
75.00870	0.4
81.03452	8.6
83.01376	3.6
85.02927	0.4
89.02433	1.6
93.03455	6.8
95.01377	0.4
95.05042	0.5
96.95972	0.4
97.02970	0.3
99.00890	0.3
104.03967	0.2
107.01389	0.9
108.02162	1.0
109.02955	1.0
111.04515	0.4
113.02464	0.3
116.92854	0.4
119.05022	8.4
121.02923	0.3
123.04519	24.8
124.04798	0.5
125.02437	12.3
133.02975	1.2
135.00874	0.4
135.04506	2.1
149.02446	0.6
151.00349	2.5
151.03947	0.3
152.01115	1.2
153.01917	1.3
161.02423	3.7
167.03482	66.9
168.03871	1.6
179.03487	7.3
181.01436	0.4
182.02223	1.6
183.02957	1.2
187.07637	0.3
189.05579	1.7
193.18596	0.2
209.11845	0.3
211.07684	0.5
226.46744	0.3
229.08676	0.9
255.06592	0.8
262.55353	0.3
273.07654	100.0
274.07996	4.2
285.04001	0.3
286.04242	0.3
293.08606	0.5
309.70758	0.2
323.07678	1.5
345.08310	1.8
429.10291	4.9
435.12469	0.3
449.10443	0.3
487.10727	0.4
534.30164	0.7
577.68134	0.2
579.13965	0.3
597.15601	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	597.3039
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.32090	0.9
59.01380	8.9
64.91399	0.8
69.29874	4.5
69.30305	3.1
78.95900	53.0
96.96961	7.5
105.01902	1.6
115.00306	1.1
132.66759	0.8
150.98056	1.2
152.99579	76.4
171.00661	2.2
175.02498	0.9
223.00156	7.6
229.29712	1.0
241.01154	19.6
259.02341	1.7
281.24829	60.8
282.25201	2.9
315.04919	9.4
317.29120	1.0
382.33267	1.0
518.31384	0.9
597.30463	100.0
598.30792	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	597.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.9
60.99302	3.7
61.98822	1.3
68.07611	0.7
69.63367	4.5
71.01367	1.5
81.03474	0.9
83.01397	2.2
85.02956	1.0
88.98799	17.9
89.02447	1.2
91.74522	0.8
97.02914	1.3
100.13680	0.8
101.02445	0.9
108.14486	0.8
109.02979	0.9
111.00896	2.9
121.02986	1.3
137.02454	3.1
139.00349	2.4
139.03987	1.0
140.01137	1.1
141.01930	3.0
150.03212	1.2
151.04025	1.2
153.01917	4.9
165.01889	4.8
165.05566	2.1
165.99074	2.1
166.62111	0.7
167.03464	1.0
181.01430	5.6
182.02196	65.9
183.02966	54.6
194.02327	0.8
195.02945	2.4
200.97859	0.7
277.49884	0.7
327.12262	1.2
344.11502	0.7
465.12952	0.9
507.13525	100.0
508.13831	6.6
597.18469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62092	1.1
56.42694	0.9
59.01374	1.7
60.99302	2.6
61.98830	41.2
69.70319	5.5
71.01373	2.6
75.00882	1.0
78.07720	1.1
83.01370	3.3
87.00860	0.9
88.98809	12.6
89.02383	1.1
97.02953	1.3
99.00873	3.4
101.02419	1.4
104.83253	1.1
109.02950	1.1
111.00852	1.4
113.02460	1.6
121.02910	1.0
121.45373	1.2
123.04536	1.8
125.02421	1.9
128.03525	1.6
133.02959	2.6
135.04533	3.1
137.02406	5.1
139.00363	1.5
140.01199	2.5
141.01920	5.4
143.04604	1.3
151.92889	1.1
153.01915	6.1
153.05334	1.0
157.76102	1.0
161.02411	9.3
161.43840	1.0
165.01915	5.1
166.99672	0.9
167.03525	5.1
179.03505	2.4
181.01450	5.0
182.02200	65.5
183.02974	51.4
184.03355	1.4
186.01698	1.7
187.76506	1.0
195.02982	2.9
213.14891	1.9
271.05869	1.1
273.07690	1.2
300.37823	0.9
303.07135	7.6
323.07568	1.2
327.07309	3.1
341.10974	1.5
345.08221	65.6
346.08612	2.4
374.26379	2.9
507.11401	100.0
508.12155	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	597.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.99315	1.3
61.98831	4.1
69.03463	0.4
71.01375	1.0
71.52163	0.3
80.37444	0.3
83.01391	0.6
85.02953	0.4
88.98803	4.6
95.01353	0.3
97.02937	0.6
99.00879	0.6
101.02467	0.6
109.02918	0.6
110.00169	0.3
111.00860	0.8
111.04514	0.3
113.02483	0.3
118.05972	0.3
121.02944	0.6
123.00887	0.3
123.04584	0.4
125.02499	0.6
135.04533	1.0
135.75337	0.3
137.02448	1.9
139.00360	0.5
139.03987	0.4
141.01924	1.7
149.02425	1.0
150.70653	0.3
151.00328	0.6
151.03986	0.3
153.01985	1.7
161.02434	0.3
165.01900	3.2
165.99062	0.6
166.99876	0.5
181.01408	2.4
182.02193	50.3
183.02965	52.0
184.03340	1.0
191.03505	0.6
195.02997	1.7
207.03017	0.4
222.09947	0.3
225.04077	0.3
271.02487	0.4
300.02652	0.4
301.03662	0.6
303.07016	0.4
327.07257	0.6
339.08704	0.5
345.08228	100.0
346.08563	4.2
375.27563	0.7
433.08041	0.4
465.08310	0.3
507.11542	0.8
597.13190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
57.73680	0.5
61.40909	0.5
68.37865	0.5
70.18620	1.6
73.26699	0.5
75.68826	0.6
78.95900	77.3
80.91685	0.7
82.24184	0.6
96.96954	15.1
107.23712	0.6
107.87073	0.5
150.98013	1.2
152.99574	100.0
156.03938	0.5
171.00623	2.5
223.00110	10.1
241.01160	25.4
259.02197	1.2
279.23270	68.1
280.23590	5.0
315.04846	12.9
342.70285	0.5
362.11566	0.6
595.28839	97.1
596.29083	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	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	2.0
66.91324	1.0
68.35775	1.0
78.95901	61.9
84.15249	1.0
92.64275	1.0
96.96953	13.1
98.19766	2.1
132.13979	1.2
152.99585	54.2
159.81100	1.2
202.22914	1.4
209.11806	1.3
223.00082	1.3
229.26782	1.3
241.01205	28.2
279.23282	63.1
280.23685	3.4
300.36938	1.2
315.04758	7.2
409.74219	1.5
415.22379	5.1
556.00226	1.4
595.28864	100.0
596.28937	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	595.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98827	100.0
65.00318	1.2
65.01446	0.5
69.49542	4.0
71.01405	1.1
78.95898	0.7
83.01400	0.7
89.89471	0.6
96.96014	2.0
97.59499	0.7
101.02427	0.8
107.01383	1.7
116.92854	0.8
117.03468	2.5
118.03814	0.8
119.05018	2.0
120.05328	0.7
138.36746	0.6
142.21294	0.7
145.02937	7.8
146.03271	2.7
147.03442	0.9
151.00374	1.9
151.52458	0.5
152.00807	1.1
161.02432	2.2
163.03975	1.4
164.04396	0.9
177.01942	1.4
178.66675	0.5
179.03542	0.7
181.01471	1.1
182.02196	1.4
183.02980	1.5
185.06129	0.7
187.03937	0.7
207.10326	1.0
211.04022	1.0
212.04387	1.0
215.12816	1.8
227.03471	12.6
228.03851	9.5
229.03856	4.8
230.05542	1.3
231.05566	0.7
255.02953	17.3
256.03339	18.3
257.03522	12.4
258.04456	2.4
259.05173	0.9
269.04489	1.6
284.03241	18.5
285.03793	34.6
286.04068	32.6
287.04559	15.5
288.05048	1.1
309.08887	1.5
343.25015	1.6
345.08304	1.2
355.24753	1.7
371.24500	0.7
373.25906	48.1
374.26242	3.4
382.78766	0.6
448.09460	1.0
449.09933	1.7
461.20316	1.0
507.71567	0.6
595.13562	63.8
596.13831	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71031	0.3
59.01371	0.6
60.99306	2.7
61.37033	0.3
61.98818	0.4
80.39832	0.4
80.93650	0.3
83.01379	0.8
85.92971	0.3
88.98273	0.7
88.98803	10.6
97.02931	0.5
99.00904	0.6
111.00898	0.9
111.22677	0.3
127.20438	0.3
128.66006	0.3
135.04561	0.5
137.02457	1.9
139.00433	0.4
139.03986	0.3
141.01945	1.2
147.68361	0.4
151.03972	0.4
153.01927	0.9
165.01904	2.8
165.99060	0.8
166.99934	0.3
173.51270	0.3
177.01945	0.4
179.03427	0.4
180.58829	0.4
181.01460	2.0
182.02200	44.4
183.02969	50.8
184.03319	1.2
193.05017	0.4
194.02176	0.4
195.02917	1.8
207.05106	0.5
225.03998	0.5
292.98343	0.3
327.07050	0.7
345.08234	100.0
346.08560	4.2
441.22583	0.3
507.11337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26936	0.5
59.01373	1.0
60.99306	0.7
61.98811	2.8
65.12112	0.6
67.07121	0.6
71.52728	0.8
77.03907	0.5
88.98802	3.4
106.07172	0.7
137.02437	1.8
139.04012	0.8
141.01920	2.1
143.04305	0.6
149.02377	0.8
151.03995	0.9
153.01845	1.0
155.03513	0.8
165.01935	3.7
166.99944	0.8
181.01416	2.8
182.02203	49.5
183.02977	59.2
184.03230	1.4
193.05096	0.6
194.02332	0.6
195.02919	1.4
226.78546	0.7
255.39882	0.6
345.08246	100.0
346.08514	3.4
569.83563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98829	9.8
67.35181	1.0
71.01373	1.4
71.53271	1.4
78.95900	5.6
81.03451	2.4
83.01376	4.2
85.02913	1.5
93.03384	1.1
97.02866	1.1
99.00883	1.3
99.04494	4.0
109.02902	4.0
110.00128	0.9
111.00858	2.9
117.03374	1.2
121.02913	3.5
125.02406	1.2
136.98750	4.0
137.02448	6.4
139.00346	3.5
139.04001	1.6
140.01178	1.1
141.01903	3.1
145.02911	2.7
151.04108	1.1
153.01935	42.4
154.02223	1.5
161.02409	1.8
163.00330	0.9
163.03963	1.2
165.01924	7.3
165.99097	2.4
166.02553	1.8
167.03395	2.7
167.10703	2.5
175.03964	1.5
179.03484	1.5
181.01422	69.6
181.97577	0.9
182.02194	60.9
183.02974	66.8
184.03331	2.2
194.02133	1.2
195.03014	1.8
207.02898	3.1
225.03917	2.0
249.04024	1.8
258.25708	1.1
267.15875	3.5
309.05838	1.1
327.07193	100.0
328.07492	4.5
345.08200	12.9
346.76794	0.9
366.34335	1.1
464.36145	1.0
595.23651	47.5
596.23828	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	595.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.3
61.23325	0.8
71.01395	0.9
71.06471	1.5
81.03448	2.3
83.01360	2.4
93.03461	1.7
95.01389	1.6
95.05022	2.3
97.02953	3.4
109.02954	13.7
111.04494	2.5
121.02964	2.7
123.00854	3.5
123.04500	3.5
124.01655	2.2
125.02444	61.6
126.02753	2.6
135.04451	1.4
137.02435	22.9
138.03006	1.0
139.04002	14.2
146.93854	0.9
149.02429	2.3
149.06018	1.7
151.03984	4.5
153.01944	5.3
161.02408	2.0
161.06046	1.2
164.01141	6.1
165.01917	14.1
166.02687	1.3
167.03473	15.0
175.04030	1.7
177.01871	4.0
177.05528	2.9
178.02422	1.4
179.02139	1.1
179.03505	12.6
181.05165	1.2
188.04611	1.1
191.03485	0.9
191.07085	2.9
193.05096	0.9
201.05641	1.7
203.03479	2.7
203.07146	1.3
204.04256	1.8
205.04982	1.3
219.06645	9.9
221.04514	4.1
223.18652	1.1
233.08080	1.0
243.06612	1.5
245.08130	3.5
257.11606	1.0
261.07553	3.8
269.04251	1.1
289.07138	18.2
290.07419	1.7
294.76389	1.2
305.06656	100.0
306.06860	4.3
409.08575	2.4
425.07892	1.5
427.09137	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	595.1458
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.64037	0.4
51.82508	0.4
59.01376	1.6
61.98829	14.5
63.02396	2.8
65.00321	7.0
69.18778	1.6
69.19200	1.9
71.01385	0.4
78.95901	0.6
81.59106	0.4
83.01383	4.0
85.17064	0.4
88.98800	1.0
93.03454	5.8
96.96022	0.4
107.01389	13.3
112.92860	0.4
117.03497	0.7
119.05027	26.1
120.05343	0.9
121.02972	3.0
125.02442	1.8
126.95411	0.4
132.53873	0.3
133.02945	1.6
135.04532	7.4
137.02452	0.6
145.02983	2.1
151.00374	47.0
152.00696	1.3
152.98238	0.4
153.01959	1.1
159.04424	0.5
161.02469	4.0
162.02759	0.8
165.01953	2.6
169.01421	1.6
177.01926	6.1
179.03529	0.6
181.01468	1.5
182.02211	2.4
183.03009	2.7
185.06071	1.3
187.03960	1.1
188.41986	0.4
203.03522	0.6
204.03899	0.4
210.51028	0.4
227.03471	2.6
227.07167	0.6
229.05038	1.9
255.02950	5.1
256.03595	0.8
257.04547	0.9
259.86917	0.4
269.04678	0.6
271.06110	100.0
272.06421	3.9
283.02518	0.8
284.03235	6.3
285.04004	10.9
286.04541	0.5
287.05579	7.3
323.07712	3.2
327.07269	1.1
345.08252	3.5
431.09912	0.5
473.10846	3.2
532.22559	0.9
577.13513	3.2
595.14551	11.2
595.23767	0.8
596.14941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
59.50605	0.3
60.01703	0.3
61.98829	100.0
63.09111	0.2
70.23399	0.3
71.01385	0.7
71.52155	0.3
73.02953	0.3
87.34290	0.2
88.98837	0.5
89.02426	0.3
101.02448	0.6
117.16960	0.2
121.02937	0.4
121.35841	0.3
127.71841	0.2
151.00362	0.6
153.01979	0.4
157.02748	0.2
161.02422	0.4
163.06137	0.5
175.02550	0.3
209.04581	0.5
239.34174	0.3
300.02832	0.8
301.03491	0.6
407.47931	0.3
595.12872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3045
Annotation	HAMI3379
Peak:m/z	Relative Intensity
53.01228	0.6
57.93748	0.5
59.01367	1.6
60.77054	0.5
61.98828	6.9
65.93541	0.6
67.36955	0.5
71.01373	0.7
71.46841	0.5
78.95905	100.0
96.96949	7.5
128.03554	0.6
150.05609	0.6
152.99582	14.6
153.01906	0.6
156.61345	0.6
168.13890	1.9
171.00632	19.9
183.03014	0.7
183.13805	0.5
194.05905	0.9
258.04599	0.7
268.09518	4.0
271.02469	0.7
285.04102	0.8
286.04172	0.9
300.02628	0.7
301.03375	0.7
327.07297	0.8
345.07947	0.7
366.16760	1.0
448.09555	1.7
496.23288	0.8
531.22095	0.7
534.28064	0.9
594.30450	62.6
595.31049	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22772	0.5
56.17303	0.4
59.01383	0.9
60.75628	0.5
64.60574	0.4
67.06002	0.5
69.67453	0.6
69.67861	2.2
71.21535	0.4
78.95899	58.8
96.96956	11.6
104.31998	0.5
121.71534	0.4
150.98032	1.2
152.99579	87.5
153.99930	0.8
171.00566	2.6
214.22246	0.4
223.00105	9.4
241.01186	22.2
259.02185	1.8
275.19843	0.5
277.21707	48.1
277.45554	0.5
278.22079	2.2
315.04895	13.7
333.05911	0.9
593.27271	100.0
594.27618	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	593.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35431	0.6
55.01867	2.0
55.10496	0.6
57.03432	2.6
58.00584	2.1
59.01377	65.0
61.98800	1.0
69.03437	3.1
71.01379	46.3
71.51157	0.8
72.01691	0.8
72.99303	3.8
73.02943	23.5
81.03448	1.7
83.01376	11.0
85.02946	18.1
86.00064	1.3
87.00874	6.5
87.04497	2.0
89.02440	20.7
95.01358	2.3
96.95989	2.6
97.02946	2.9
99.00896	4.5
99.04500	1.3
99.92538	1.0
101.02439	49.1
103.04008	14.1
109.02905	2.0
113.02442	10.2
115.03996	3.2
119.03497	10.2
125.02433	10.8
127.04002	1.5
131.03473	5.9
137.02361	0.8
143.03485	8.1
145.05064	5.0
149.04584	1.0
152.20581	0.7
153.13246	0.8
159.02966	1.7
161.02451	1.0
161.04556	6.1
163.06114	48.1
164.06543	1.2
168.00592	0.8
173.09758	0.8
175.02408	1.0
177.01855	1.7
179.05696	0.9
183.02844	1.0
189.12846	9.0
205.07138	13.9
207.13864	4.1
225.14844	1.4
229.07170	1.5
247.08212	2.7
265.09131	4.4
285.03922	1.4
289.07095	0.9
307.10297	4.9
369.18930	1.0
387.20209	19.8
388.20621	0.8
395.95245	0.7
489.23260	1.5
515.24872	2.7
533.26007	100.0
534.26428	6.1
556.96967	1.6
593.13855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
56.15744	0.7
57.03435	2.0
58.00587	1.7
59.01377	69.8
69.03440	2.5
69.81382	3.2
71.01379	45.7
72.99300	3.2
73.02947	26.0
75.00864	1.8
79.53368	0.8
81.03442	2.0
83.01387	9.0
85.02944	20.1
86.00089	1.3
87.00867	7.6
87.04500	3.1
89.02444	25.0
95.01384	2.9
96.96007	2.3
97.02940	3.7
98.95568	1.2
99.00885	4.4
99.04565	1.1
99.92618	0.8
101.02441	54.4
102.98434	0.7
103.04010	14.7
109.02936	0.9
113.02443	11.3
115.04032	3.8
119.03491	11.1
125.02438	8.8
127.03999	1.4
131.03494	7.0
137.02495	0.7
143.03502	8.5
145.05069	3.7
147.76338	0.8
159.03006	0.8
161.02483	0.8
161.04572	5.8
163.06116	52.5
168.00851	0.9
171.49100	0.7
173.09793	1.0
177.01936	1.4
179.05542	1.2
181.78221	0.7
189.12787	8.0
205.07153	16.6
207.13860	2.5
217.70253	0.7
225.14986	0.9
247.08067	3.6
265.09256	6.1
276.88248	0.7
307.10468	4.5
387.20212	19.0
388.21014	1.1
489.23514	1.3
515.25067	2.3
533.26007	100.0
534.26440	6.8
556.96698	2.0
593.27429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35003	0.8
55.69579	0.6
57.87587	0.8
59.01373	2.7
61.98828	76.5
69.20337	0.7
71.01385	2.6
73.48791	0.8
74.02466	0.8
78.95887	1.1
85.02943	1.0
89.02456	1.8
93.03471	1.2
98.81979	0.7
101.02424	1.2
109.02953	5.2
111.00880	0.9
113.02435	2.1
117.03490	1.2
119.05029	3.0
121.02961	2.7
128.03487	1.0
132.02138	1.8
133.02951	34.0
134.03709	3.0
135.04523	31.9
137.02429	1.9
139.04050	1.0
143.04640	0.8
145.02977	1.7
147.04504	2.3
148.05293	1.3
149.06085	10.0
151.00400	5.1
153.02000	0.9
157.22876	0.7
161.02432	98.1
162.02776	2.6
174.03271	1.1
175.03987	9.0
177.05554	20.6
178.05966	1.2
179.03490	26.1
181.01390	0.9
182.02177	1.4
183.03006	1.3
187.03943	1.0
189.05547	1.5
203.03490	100.0
204.03844	4.0
221.04529	15.7
227.03493	2.7
229.04980	2.0
255.02950	5.5
271.06079	9.5
284.03299	6.4
285.04037	9.1
323.07675	5.7
327.06870	1.0
341.08734	22.2
342.09082	0.9
473.10986	5.0
531.22327	68.6
532.22675	5.9
577.13495	2.7
594.29553	1.5
595.14343	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58664	0.5
57.50823	0.4
59.01361	0.8
62.93022	0.5
67.13544	0.4
67.29649	0.5
78.95898	63.1
87.27396	0.5
93.22350	0.5
96.96961	12.8
150.97969	0.9
152.99573	86.1
153.99887	0.5
171.00610	2.7
216.22583	0.5
223.00087	8.9
233.22670	0.6
241.01164	23.5
259.02179	1.0
259.20547	0.6
277.21698	42.3
278.21964	2.4
315.04834	12.4
333.05713	0.9
343.26495	0.5
367.15970	0.5
409.99249	0.5
593.27258	100.0
594.27576	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97614	1.4
55.99064	1.6
59.01359	3.3
61.17714	1.6
61.98816	6.5
62.57156	1.5
69.68252	1.5
72.22101	1.6
78.95905	75.3
85.00301	1.5
96.96954	11.5
117.50085	1.5
121.00357	1.6
121.02895	2.0
126.72464	1.9
152.98383	3.3
152.99576	52.5
176.99925	2.0
206.38022	1.8
209.11797	2.8
223.00285	2.1
241.01175	28.7
277.21722	51.0
278.22043	1.9
284.03281	3.8
284.34805	1.7
285.03961	6.1
315.04843	6.2
332.45602	1.8
405.00162	1.6
413.20859	5.7
457.30295	2.1
550.93622	2.0
593.15631	4.9
593.27283	100.0
594.27863	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.35092	0.1
54.98069	0.1
59.01359	0.1
63.02397	0.4
65.00311	0.8
71.41373	0.2
83.01388	0.6
91.01892	0.2
93.03461	0.7
95.01369	0.2
107.01384	1.9
109.02921	0.3
115.05697	0.1
117.03431	0.2
119.01372	0.1
119.04984	0.1
125.02444	0.4
127.46968	0.1
132.02191	1.0
135.00853	1.2
137.02452	0.2
143.05017	0.5
145.02997	0.2
149.02460	0.1
151.00354	3.4
153.01967	0.3
157.06595	0.4
159.04506	0.5
163.00349	1.4
164.01146	0.5
165.01942	0.3
167.05016	0.4
169.01384	0.3
169.06543	0.3
171.04483	0.5
173.02493	0.1
174.03271	0.3
175.03952	0.2
177.01932	0.2
178.99831	0.4
183.04456	0.8
185.02518	0.3
185.06062	1.3
187.03944	1.3
189.01952	0.1
189.05577	0.5
189.71945	0.1
190.99922	0.3
192.00551	0.2
195.04564	0.4
196.05313	0.1
197.06039	0.5
198.03279	0.1
199.04015	0.5
200.04819	0.3
201.05511	0.4
211.03966	2.0
212.04712	0.3
213.05482	0.8
214.02684	0.1
215.03555	0.1
223.04031	0.2
227.03476	36.1
228.03900	1.4
229.05011	4.8
230.05359	0.1
239.03493	1.2
240.04265	0.4
241.04948	0.7
243.02895	0.2
255.02963	65.7
256.03543	5.9
257.04520	3.4
262.34195	0.1
267.02963	0.4
269.04480	0.3
283.02359	0.6
284.03232	83.5
285.03964	32.2
286.04385	1.5
297.03894	0.2
299.05753	0.3
327.05008	1.3
407.87006	0.1
431.78210	0.1
456.11807	0.1
593.15033	100.0
594.15393	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	593.1508
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
56.28532	0.2
61.23696	0.2
63.02401	0.3
65.00335	0.5
69.50779	0.9
83.01388	0.6
93.03467	0.8
95.01553	0.2
96.96017	0.2
98.20708	0.4
101.02484	0.2
107.01393	0.6
109.02944	1.1
117.03465	0.6
123.04503	0.3
125.02442	0.7
135.00899	0.2
137.02434	0.4
140.82446	0.2
143.05042	0.3
151.00337	1.5
153.01880	0.5
154.04286	0.4
155.05028	0.3
159.04483	0.6
161.02477	0.7
163.00311	0.3
165.01866	0.4
167.05031	0.4
169.06580	0.6
171.04539	0.6
173.02455	0.3
175.04047	0.2
177.01849	0.3
178.35643	0.2
183.04498	2.1
185.02429	0.3
185.06047	0.5
187.03998	0.5
197.06013	0.2
199.03935	0.2
211.03978	2.0
213.05605	0.8
214.02644	0.4
215.03391	0.3
227.03510	3.0
228.04021	0.3
229.04999	0.8
239.03462	0.6
241.04997	0.2
243.02931	0.4
255.02968	26.6
256.03387	1.3
257.04529	0.5
269.04507	0.6
281.04477	0.6
283.02460	53.9
284.03030	5.2
285.04016	100.0
286.04388	5.1
289.07278	0.2
297.03949	0.7
298.04678	0.3
299.05493	0.7
307.06189	0.3
327.05035	3.5
344.31430	0.2
351.05078	0.5
357.06351	0.3
369.13016	0.2
431.09790	9.0
432.10056	0.6
446.02283	0.3
446.08508	10.4
447.09265	18.7
448.09427	1.1
473.11026	0.6
593.15051	34.5
594.15503	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	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16897	0.9
57.03445	13.6
58.95956	0.9
62.51393	0.7
67.01899	1.0
70.99419	2.1
81.03461	1.2
83.01380	3.4
93.03456	3.9
95.05011	2.5
97.02945	4.3
105.03454	1.1
107.05035	1.6
108.02180	1.1
109.02956	21.2
121.02952	7.3
123.00861	0.9
123.04515	12.9
124.01649	1.1
125.02442	96.6
126.02813	1.7
133.02957	2.7
135.04524	1.4
137.02444	19.5
139.03993	3.4
145.02942	1.2
146.03693	1.3
149.02397	11.4
151.04001	14.0
159.04504	2.6
161.02425	2.6
161.06059	3.9
162.03220	1.1
163.00380	1.5
163.03999	2.7
164.01129	2.8
165.01917	4.6
167.03473	3.8
173.06003	1.4
175.03996	8.7
177.01921	100.0
178.02296	3.4
179.03456	5.1
185.06061	2.0
187.03996	7.7
188.04755	3.8
189.05493	1.2
191.03416	1.3
193.05009	1.2
203.07108	9.0
205.01346	1.0
205.05023	6.7
211.04012	1.5
213.05428	1.3
215.03444	1.3
217.05054	1.7
221.08136	1.6
227.03459	1.0
227.07019	1.8
229.04973	3.6
230.05943	0.9
231.03036	1.1
243.02989	3.3
245.08148	11.6
253.04941	1.6
255.02950	9.5
256.03717	4.8
257.04385	2.9
261.04037	2.7
273.04059	4.6
281.04547	3.3
283.02448	2.2
285.04037	3.6
289.07153	64.7
290.07480	3.4
297.04001	1.4
303.05179	8.3
305.06644	2.2
314.19064	0.9
315.04950	2.6
339.08618	4.0
381.09723	2.2
407.07690	60.8
408.08032	3.6
417.07611	0.9
424.18570	1.1
425.08722	39.3
426.08817	2.0
441.08258	2.9
467.09726	7.2
593.13031	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	593.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67227	0.7
57.03445	14.3
58.04645	0.7
58.73751	0.7
59.01384	1.3
62.41604	0.6
77.03942	0.7
81.03456	2.5
83.01380	4.9
85.02905	0.7
89.02428	0.9
93.03470	4.3
95.05009	1.6
97.02934	3.3
101.02439	1.0
105.03465	1.7
107.05046	1.1
109.02948	18.0
121.02948	7.0
122.03740	1.1
123.04520	11.8
124.01659	0.7
125.02440	100.0
126.02760	1.1
131.05023	1.0
133.02942	2.3
135.04494	2.1
137.02441	20.3
139.03970	2.9
145.02988	1.4
146.03793	1.0
147.04482	0.8
149.02419	11.5
150.03087	0.9
151.02863	1.3
151.03989	11.6
159.04488	1.8
161.02437	2.5
161.06087	3.1
162.03212	1.3
162.35298	0.8
163.00394	1.9
163.04036	4.0
164.01166	3.2
165.01956	6.0
167.03479	2.8
173.05988	1.2
174.03189	0.7
175.04004	8.7
175.07584	1.5
176.01157	1.0
177.01921	98.4
178.02287	3.6
179.03491	4.5
186.91591	0.7
187.04021	7.3
188.04808	3.0
189.05545	1.2
191.03467	0.8
193.05020	0.9
195.10263	0.7
201.05553	1.1
202.06285	1.2
203.03357	0.7
203.07132	7.8
205.01337	1.3
205.05064	7.1
211.04010	1.9
212.04597	0.9
213.05453	0.8
215.03462	1.8
217.05074	1.2
217.08614	0.9
219.02977	1.0
221.08186	1.5
225.05595	0.7
227.03574	1.7
227.07077	1.3
229.05092	3.3
230.05707	0.9
231.02950	1.5
243.02959	2.3
245.08142	10.5
247.06044	0.9
253.05150	0.9
255.02936	7.3
256.03757	3.4
257.04468	2.1
261.03998	2.1
269.04462	1.2
271.06110	0.9
273.04004	8.0
281.04523	3.2
283.02490	2.2
284.03152	1.3
285.04059	5.0
289.07150	58.6
290.07507	2.4
297.03979	1.6
297.07248	0.7
303.05029	8.9
305.06989	0.8
315.05115	4.6
315.08258	1.0
339.08655	3.0
381.09729	2.5
401.45428	0.6
407.07681	49.4
408.08029	3.5
425.08740	22.7
426.08957	1.5
441.08148	4.8
467.09872	8.9
575.11816	1.0
590.70007	0.7
593.13037	15.0
594.13403	1.3
601.76685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84295	0.5
59.01362	1.2
61.98832	7.0
63.02407	0.6
65.00326	0.9
66.72563	0.4
69.21859	2.5
69.22292	2.0
73.02955	0.5
78.95898	1.8
83.01382	1.0
88.98775	0.9
93.03452	1.1
99.92577	1.8
101.02466	1.1
107.01392	3.3
109.02964	1.4
113.02467	0.7
116.92852	20.1
117.03462	5.4
117.92861	0.9
119.05037	5.4
121.02973	0.6
125.02430	1.2
132.02182	1.6
133.02957	0.9
135.00854	1.3
135.04500	1.0
137.02386	0.5
143.04944	0.8
145.02950	18.3
151.00377	7.0
153.01921	0.7
159.04523	1.0
161.02425	2.1
163.00356	2.9
163.04004	3.2
164.01167	1.1
167.03442	1.3
167.04871	0.8
169.01447	0.6
169.06566	0.9
171.04478	0.8
175.02521	0.5
175.03963	0.8
182.02220	0.9
183.02946	0.8
183.04468	1.4
185.04553	0.5
185.06071	2.1
187.03984	2.5
190.99989	0.5
191.33972	0.5
195.04512	1.2
197.06059	0.7
199.03978	1.5
209.00655	0.5
211.03955	3.1
212.04727	0.9
213.05522	1.8
217.05086	0.5
226.02600	0.6
227.03476	47.1
228.03958	1.9
229.05051	8.0
239.03441	2.5
240.04176	0.9
241.05058	1.8
255.02971	80.0
256.03619	10.0
257.04556	6.7
258.57425	0.5
267.02841	0.7
268.03674	0.7
269.07257	0.5
283.02411	1.2
284.03244	97.4
285.04004	91.3
286.04318	4.0
299.05881	0.6
307.08240	4.3
325.03259	0.6
351.35681	0.5
371.24344	0.9
447.09149	5.4
547.39081	0.5
592.29791	0.7
593.13013	100.0
594.13348	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.8
59.68340	0.8
59.68647	0.7
66.82198	0.8
67.40958	0.9
69.78402	3.5
79.01019	0.8
83.01385	3.7
89.11565	0.7
93.03442	3.4
95.05031	1.3
97.02952	3.7
98.19971	1.2
105.03465	1.0
106.76000	0.7
107.05006	1.1
109.02943	17.2
111.04520	1.5
112.37041	0.8
115.48926	0.7
119.04964	0.8
121.02975	4.2
123.00892	1.9
123.04520	8.0
125.02438	100.0
126.02799	1.2
126.24245	0.9
131.04996	0.9
133.02939	2.3
134.12558	0.8
135.04501	1.4
137.02432	21.0
138.03258	1.7
139.04007	7.3
143.04965	1.1
147.04561	0.9
149.02434	9.1
150.03285	1.0
151.04004	12.1
159.04533	2.7
160.14638	1.0
161.02432	9.2
161.06036	4.3
162.03212	1.9
163.00313	1.8
163.04004	3.4
164.01120	3.8
165.01895	9.0
166.02856	0.8
167.03448	7.0
175.04016	8.8
175.07492	1.1
177.01917	71.0
178.02426	1.7
179.03511	6.4
185.05850	0.8
187.04007	6.7
188.04744	2.4
191.03473	1.1
199.03917	1.2
202.06364	1.0
203.03537	1.7
203.07100	6.9
205.01445	2.2
205.05003	5.1
211.03986	1.2
213.05568	1.2
215.03490	2.4
217.04976	2.1
219.06631	3.8
221.04454	2.0
221.08157	1.5
227.03476	1.2
227.07080	1.1
228.04286	1.4
228.42741	0.9
229.05006	4.1
230.05722	1.2
231.02908	1.1
241.04977	1.0
243.02934	4.1
245.04483	2.4
245.08131	8.2
247.02602	1.2
253.05042	1.0
255.02948	13.1
256.03708	5.1
257.04547	2.5
259.06036	1.4
261.04013	2.1
269.04477	3.0
271.06039	1.4
273.04132	4.9
281.04492	3.6
281.07455	0.9
282.01749	1.3
283.02576	4.0
285.04025	4.1
287.05551	2.7
288.02570	1.0
289.07159	42.1
290.07556	1.8
297.03952	2.9
299.05569	1.4
303.05045	6.0
305.06622	28.8
315.05130	1.8
339.08731	3.0
359.09052	1.0
363.08865	1.0
374.07050	0.9
381.09610	2.0
395.67310	0.9
407.07678	49.3
408.08011	2.5
423.07181	23.4
424.07623	2.0
425.08716	24.7
426.09134	1.9
441.08215	5.3
449.08704	1.0
467.09601	12.2
468.10101	1.0
575.12091	1.1
593.12878	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.01124	0.3
59.01357	0.7
61.98815	0.9
63.02390	0.8
65.00320	0.9
66.86671	0.3
69.37746	2.7
74.14539	0.3
81.28240	0.3
83.01391	0.8
91.01926	0.4
92.93354	0.3
93.03457	1.3
107.01391	2.3
109.02954	0.6
117.03450	4.9
119.05038	4.5
132.02162	0.7
135.00871	1.8
143.04968	0.7
145.02942	14.9
146.03323	0.4
151.00360	5.3
159.04485	0.5
161.05942	0.3
163.00400	2.2
163.04001	2.9
164.01178	0.7
169.06630	0.8
171.04463	0.4
174.03192	0.5
178.51363	0.4
183.04512	1.1
184.05295	0.3
185.02417	0.5
185.06073	1.4
187.03967	2.5
189.05580	0.8
195.04515	0.7
197.06030	0.9
199.03966	0.8
200.04686	0.4
201.05557	0.6
211.03893	2.7
212.04681	0.7
213.05457	1.2
214.02655	0.3
215.03450	0.4
227.03481	39.5
228.03973	1.5
229.05013	7.2
239.03412	1.7
240.04185	0.7
241.05075	0.9
243.02971	0.4
255.02972	72.0
256.03632	8.7
257.04541	4.9
258.04974	0.4
267.03131	0.6
283.02545	0.7
284.03244	86.5
285.04013	75.7
286.04361	2.7
307.08191	3.3
371.24197	0.4
447.09250	4.5
593.12970	100.0
594.13251	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	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72708	0.2
58.30187	0.2
61.98814	0.5
63.02384	0.5
65.00332	0.2
68.97230	0.2
70.70238	0.2
70.70609	0.5
78.95899	0.5
79.01881	0.2
83.01376	0.3
91.01888	0.5
91.84048	0.2
93.03457	1.7
107.01403	1.4
109.02942	0.9
117.03459	0.4
119.01328	0.2
121.02937	0.2
123.00874	0.1
131.05006	0.3
133.02943	0.5
135.00876	1.3
135.04489	0.5
141.07062	0.2
143.05054	1.2
145.02942	0.4
151.00359	0.7
153.01949	0.4
154.04239	0.3
155.04988	0.2
156.05759	0.3
157.06616	0.8
159.04514	1.9
161.02446	1.6
163.00368	2.3
163.72647	0.2
165.01921	0.5
167.05017	0.6
168.05740	0.3
169.06557	0.9
169.84250	0.1
171.04512	0.8
173.02350	0.2
173.05984	0.4
179.03394	0.2
183.04565	0.5
184.05208	0.2
185.06075	3.1
187.04004	3.8
188.04308	0.2
189.05553	1.4
192.00557	0.2
195.04463	0.7
196.05130	0.2
197.06058	1.1
198.03259	0.3
199.04024	1.0
201.05569	0.9
203.03444	0.2
211.03989	1.8
212.04660	0.4
213.05518	1.9
214.02710	0.6
218.91614	0.2
223.03944	0.3
224.04871	0.2
227.03473	3.2
229.05028	12.9
230.05325	0.4
239.03481	1.9
240.04283	0.8
241.05052	1.7
243.02974	0.5
255.02985	1.5
256.03760	1.0
257.04526	6.4
258.04840	0.3
267.02899	0.8
284.03238	1.0
285.04010	100.0
286.04349	3.7
301.03406	0.3
307.08167	0.5
431.09857	0.8
447.09366	0.5
448.67529	0.2
457.36783	0.2
495.53085	0.2
531.22583	0.3
593.13000	5.3
594.13434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02865	0.5
59.01380	2.6
61.98828	100.0
70.47906	0.5
70.51561	1.4
70.51904	0.6
70.53394	0.5
91.30692	0.5
92.07024	0.5
101.86989	0.6
137.38789	0.5
271.46198	0.5
283.05759	0.5
384.10251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67377	0.7
59.01365	2.4
61.98827	1.6
63.13434	0.7
71.52583	0.9
73.38416	0.6
88.98788	3.6
89.02438	1.1
93.03483	1.0
95.08802	0.7
95.94865	0.7
101.02414	1.7
107.01399	1.1
107.05027	0.8
109.02955	0.8
113.02490	1.0
130.23648	0.6
133.02930	3.2
134.03703	1.8
135.00880	1.2
135.04529	60.9
136.04848	1.1
151.00371	3.3
159.04498	0.9
161.02443	14.9
161.87531	0.8
163.00322	1.0
163.03854	0.8
164.01186	1.2
175.03993	1.1
179.03490	69.1
180.03787	1.6
183.04437	1.0
185.05992	1.1
187.04002	2.1
189.05527	0.9
195.10249	4.1
203.03517	6.2
211.03958	2.1
212.33565	0.8
213.05566	1.7
227.03477	34.0
228.04073	1.0
229.05020	6.5
239.03539	1.4
241.05139	1.1
255.00208	1.6
255.02972	60.3
256.03650	5.0
257.04520	4.8
284.03250	75.7
285.04004	58.6
285.08673	1.1
286.04352	2.7
323.07642	2.4
327.05090	1.2
341.08789	2.8
397.13477	3.1
415.14432	1.7
417.00443	0.8
503.11917	30.2
504.12180	2.2
516.82983	0.7
583.23724	0.8
593.15070	100.0
594.15417	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09257	0.3
55.81686	0.3
57.32866	0.3
59.01374	0.5
61.98819	0.7
63.02387	0.9
65.00315	1.0
71.01362	0.9
71.51935	0.4
73.02934	0.8
78.95895	0.9
81.17599	0.3
83.01369	1.2
89.66536	0.3
91.01861	0.6
93.03452	1.9
95.01435	0.3
101.02432	0.3
107.01393	3.1
109.02950	1.5
116.60688	0.3
116.92891	0.3
117.03445	0.8
119.05018	1.1
121.02915	1.2
131.05002	0.5
132.02184	2.4
133.02951	5.9
134.03726	5.6
135.00897	1.7
135.04524	6.0
137.02422	1.0
139.03979	0.3
143.04984	1.2
145.02925	1.0
145.05136	0.3
145.06517	0.3
147.04524	0.5
148.01605	0.3
149.06068	0.5
151.00375	6.0
152.99583	0.3
153.01891	0.4
154.04175	0.3
155.05008	0.3
156.05798	0.3
157.06549	1.2
158.03738	0.4
159.04497	1.6
160.00330	0.4
160.01653	9.7
161.02434	16.2
161.06049	0.4
163.00372	3.4
163.03983	1.0
164.01192	0.5
165.01959	0.8
167.05025	0.7
169.06541	0.9
171.04471	1.1
175.03983	9.8
178.02672	0.3
178.99893	2.0
179.03529	3.1
183.03004	0.6
183.04547	0.8
185.06070	2.8
187.03990	4.0
189.05566	1.8
190.99768	0.4
191.07187	0.4
193.05019	5.4
195.04500	0.8
196.05289	0.6
197.06041	1.0
199.04068	1.4
201.05463	0.9
207.02971	0.5
211.03969	2.9
213.05559	2.8
214.02612	0.3
215.03387	0.6
226.02699	0.3
227.03491	4.6
229.05029	11.9
239.03438	1.2
240.04170	0.6
241.05087	1.5
243.02957	2.0
245.04587	0.5
255.02977	7.4
256.03662	1.3
257.04526	6.4
263.09381	0.4
264.10278	0.6
265.10684	0.6
267.02966	1.2
271.02466	8.0
272.02951	0.5
273.04025	0.5
283.02475	0.7
284.03241	1.9
285.04022	100.0
286.04349	4.2
299.01831	1.5
300.02722	14.0
301.03485	13.7
302.03772	0.8
307.08200	17.3
308.08453	0.9
427.16147	1.1
428.16284	1.3
429.08109	0.7
431.09747	0.5
447.09213	2.0
539.22687	0.3
593.13055	25.9
593.29279	11.8
594.13177	1.6
594.30188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.76718	0.5
57.03440	2.7
58.00587	2.9
59.01375	73.5
69.03455	1.1
69.84919	3.4
71.01377	31.0
72.99316	4.1
73.02943	36.6
73.53032	0.7
75.00870	1.2
81.03456	0.8
83.01393	2.8
83.05025	0.7
85.02946	16.2
86.00101	1.5
87.00877	13.4
87.04501	4.4
89.02438	25.0
96.96005	1.2
97.02930	1.4
99.04513	1.9
101.02440	60.6
102.02805	0.8
103.04008	26.9
109.02962	0.9
113.02453	3.8
115.04012	8.7
119.03511	11.7
125.02436	6.1
127.03994	2.1
131.03494	12.4
135.99182	0.7
137.09767	1.1
143.03490	14.6
145.05066	8.4
158.92197	0.7
163.06111	100.0
164.06479	1.0
165.09195	17.6
187.11281	6.0
205.07144	32.1
205.12312	2.6
206.07545	1.4
223.13333	1.1
231.06564	6.5
235.08153	1.1
246.55750	0.9
265.09250	9.0
268.03848	1.0
283.06107	2.6
289.09241	0.9
295.15533	3.4
307.10306	3.6
325.11435	1.1
387.00616	0.7
393.11871	6.2
414.15207	0.7
531.24359	16.1
532.25092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98828	0.6
69.03436	1.6
71.01382	1.0
77.03970	1.0
81.03461	0.6
83.01373	2.8
83.05013	0.3
83.42872	0.3
85.02950	0.7
89.42449	0.3
93.03461	0.8
95.01383	1.0
95.05010	0.3
96.99328	0.4
97.02944	1.4
99.00895	1.8
105.29739	0.4
108.02110	0.3
109.02882	0.8
110.00099	1.2
111.00879	3.6
111.04536	0.5
121.02940	2.5
123.00871	0.7
123.04522	0.6
125.02453	0.6
136.98816	0.8
137.02440	8.4
139.00362	4.0
139.04002	1.1
140.01097	1.4
141.01939	3.6
151.03999	0.8
153.01935	5.3
155.03490	0.4
163.04034	0.4
164.01222	0.5
165.01933	8.9
165.99081	3.2
166.02742	0.7
166.99837	2.1
167.03520	1.1
177.01903	0.4
179.03543	0.7
181.01424	9.6
182.02199	100.0
183.02965	84.2
184.03317	1.6
186.01834	0.4
193.05086	0.5
194.02182	0.8
195.03012	1.6
207.02982	0.4
225.03758	0.3
263.20114	0.9
327.07278	1.5
345.08011	0.4
549.13440	0.3
591.28052	77.8
592.28394	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
61.98830	81.0
71.01376	11.2
71.52167	2.7
72.99306	3.0
73.89487	1.3
74.29710	1.5
75.00875	8.1
78.95911	4.9
85.02941	10.0
87.00877	4.0
89.02426	2.7
90.79604	1.4
92.35336	1.7
95.01384	2.5
96.96008	28.7
96.96936	3.5
99.00873	6.2
103.00373	1.9
113.02440	13.3
115.00311	2.4
175.02438	1.7
249.06303	1.7
267.07172	1.5
279.23285	42.1
280.23569	3.1
395.73904	1.8
529.30145	100.0
530.30817	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25144	0.2
61.98829	100.0
71.52649	0.2
74.86299	0.2
78.95884	0.2
79.83691	0.2
80.96514	0.7
96.29362	0.2
105.02489	0.2
119.31165	0.2
121.36558	0.2
124.06355	0.2
134.43593	0.2
182.02248	0.3
183.02693	0.2
212.13649	0.2
286.30441	0.2
294.21652	0.2
309.20731	0.2
395.28003	0.6
436.19788	0.2
506.15576	0.2
564.22552	0.2
592.25049	0.7
592.33337	0.4
593.27100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03432	1.6
58.00603	5.9
58.00849	1.2
59.01379	97.0
60.02308	1.3
61.98825	4.9
70.02966	1.2
71.01379	64.0
72.99303	6.1
73.02930	2.0
75.42267	1.1
78.24652	1.1
83.01384	4.3
83.05039	2.1
85.02953	10.9
85.06585	1.8
87.00849	3.1
88.04060	1.7
89.02443	75.5
95.01393	5.3
98.02494	1.3
98.93784	1.2
99.56811	1.1
101.02440	43.1
108.08197	3.2
109.06496	1.7
113.01707	2.2
113.02445	22.8
119.03494	37.1
126.09249	7.0
131.03496	2.3
134.80119	1.3
138.09201	1.9
143.03461	6.3
149.04553	3.2
156.10291	2.7
161.04568	6.1
166.08784	1.3
179.05626	12.4
184.09760	1.5
223.68607	1.1
225.22256	14.7
253.21684	3.8
255.23161	1.6
270.24350	1.8
271.22778	6.6
295.22858	1.4
296.25909	3.9
312.25266	1.4
324.25266	2.2
326.26868	1.2
380.31680	3.6
392.31583	4.1
410.32758	46.4
411.33331	3.6
428.33801	15.3
590.39081	100.0
591.39502	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	591.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19028	0.4
58.21660	0.4
69.55622	3.2
73.03943	0.5
73.22957	0.5
81.03457	0.7
108.02168	59.1
109.02967	11.2
109.73728	0.5
117.23509	0.5
120.99659	0.5
121.02905	0.6
123.04449	0.6
125.02428	1.9
133.03009	0.6
137.02463	0.8
148.53188	0.6
151.03972	1.6
152.01149	48.5
153.01936	25.1
163.03990	1.3
165.01909	1.0
167.03514	0.6
242.67085	0.5
285.06140	100.0
286.06506	3.8
305.06732	2.8
472.16223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.71399	0.8
52.08885	0.9
52.11623	0.7
52.91727	0.8
53.98569	0.7
59.77267	0.8
61.98821	0.8
64.08259	0.8
67.06251	0.7
70.53493	2.8
83.23093	0.8
92.40533	0.9
100.88813	1.0
106.98413	0.9
112.26086	0.8
112.26859	0.9
120.49641	0.9
443.22455	1.6
444.19794	1.2
445.19940	1.6
455.22662	1.0
456.23587	1.2
457.20563	1.1
459.21860	2.0
471.25415	2.8
472.22879	1.1
473.23410	1.0
485.19937	1.7
487.25406	2.1
494.88013	0.9
497.23471	4.0
499.21167	2.9
500.22189	10.7
513.22699	1.3
515.24506	100.0
516.24677	9.1
559.23364	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	590.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98541	1.6
61.98824	9.0
66.95205	1.6
68.99560	2.0
71.01372	3.0
71.53425	1.5
75.00840	2.0
78.95908	2.2
83.01383	4.8
83.85242	1.3
101.02423	1.5
113.61756	1.3
135.04576	1.4
137.02466	3.1
141.01929	1.8
150.03247	1.7
153.01938	3.0
160.62607	1.4
163.04015	5.5
164.07108	2.0
165.01944	9.9
175.02480	1.8
178.02693	1.8
179.03488	1.9
181.01398	2.3
182.02191	37.4
183.02966	36.4
191.03467	4.9
205.05078	14.2
206.09293	1.9
207.02971	1.8
219.06552	2.8
233.02347	2.5
233.04544	26.8
234.08916	3.2
235.09662	11.8
245.08179	1.8
262.05740	2.9
262.08450	43.3
263.09195	19.0
285.03891	1.7
304.38992	1.6
345.08240	42.4
346.08362	1.9
425.14517	100.0
426.14798	4.4
477.28259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.89703	0.5
67.45018	0.5
71.52690	0.7
75.90395	0.4
77.43108	0.5
137.02428	0.8
165.01909	0.5
174.52083	0.5
182.02211	7.2
183.02863	7.1
184.03271	2.5
246.93794	0.5
401.94995	0.6
452.23248	0.6
540.22052	1.9
572.24255	7.4
591.24896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84694	0.5
51.44339	0.6
59.01386	0.6
61.98828	100.0
66.97079	0.5
70.99390	1.2
78.12298	0.5
90.19537	0.5
123.57759	0.5
143.10706	0.6
209.11868	1.3
223.50011	0.5
255.06641	0.5
593.96704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43741	2.4
59.01366	8.4
61.98826	82.6
71.01385	13.2
71.52199	3.2
72.99292	5.3
75.00861	18.0
77.80562	2.6
78.95890	3.9
85.02943	15.7
87.00885	5.0
89.02444	5.8
89.57401	2.6
97.10127	2.5
99.00898	8.2
108.88433	3.1
113.02446	19.1
129.01892	3.2
133.42709	2.4
139.54707	2.7
197.20987	2.6
249.06094	4.0
250.35417	2.6
267.07083	5.7
277.21732	36.8
278.22031	3.5
342.99817	2.7
359.12180	2.4
527.28589	100.0
528.28778	9.3
573.30957	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	590.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	21.3
71.52139	3.3
83.01399	5.4
90.36880	2.7
116.92902	2.6
119.04983	3.4
120.05402	2.5
123.00880	2.5
137.02432	9.4
141.01979	3.5
151.03973	3.0
153.01855	6.3
159.10265	3.7
165.01901	9.1
165.99010	3.0
171.10197	6.6
181.01390	11.6
182.02208	100.0
183.02979	91.5
184.03290	10.5
199.13405	3.9
207.03064	3.7
207.06577	7.1
208.06886	5.7
209.08081	8.2
210.08580	6.0
211.13399	7.1
235.06136	5.4
236.06570	4.1
237.07625	10.1
238.07956	10.1
252.09613	4.6
280.09518	13.3
281.09924	10.3
321.32828	3.1
327.07251	3.3
382.12268	5.3
425.14508	5.8
426.14908	17.6
443.15457	12.3
444.15839	41.7
445.16345	3.2
527.21307	81.5
528.21875	5.0
572.24030	12.2
590.19293	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	590.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67454	1.2
59.01378	2.2
61.98833	7.5
65.60493	1.4
71.01389	3.9
71.07968	1.8
71.08302	1.4
83.01393	2.4
88.04031	8.7
88.98804	3.5
89.02436	2.2
96.74288	1.3
96.96027	9.5
97.06610	1.2
99.00906	1.6
111.00895	1.4
113.02484	1.7
115.00366	4.5
116.55226	1.2
123.41245	1.3
125.02531	1.5
126.23579	1.1
129.27660	1.2
132.03018	18.8
133.98280	1.1
135.04535	3.9
137.02414	2.6
137.95172	1.2
141.01904	2.5
143.04645	3.9
150.03154	1.4
153.01935	6.8
161.02446	1.8
163.03983	3.7
165.01968	6.1
166.00481	1.2
166.02740	2.4
167.03477	1.8
179.03508	4.9
179.07040	1.2
181.01447	4.1
182.02206	30.5
183.02969	30.4
184.03271	2.1
191.03421	2.1
205.05040	5.2
207.03027	3.1
209.04491	6.5
210.09207	1.5
233.04524	7.9
235.09705	19.5
251.09140	3.7
261.07587	1.5
262.08414	25.5
263.09189	25.7
264.09695	2.6
267.12253	2.0
269.04861	1.1
279.08713	29.5
279.11801	1.6
280.09259	1.7
281.00809	1.2
294.11148	8.7
295.11819	2.8
327.07245	3.6
345.08234	40.4
346.08557	3.2
350.77209	1.3
356.98813	1.6
358.68433	1.2
425.14609	23.7
457.17123	100.0
458.17429	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	590.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31692	1.3
57.97382	1.2
59.01374	4.0
61.98819	9.4
70.89939	2.1
71.01368	2.9
74.02502	1.7
75.12744	1.2
83.01364	2.1
85.02951	1.3
87.00877	1.5
88.04037	7.5
88.98810	3.5
89.02450	1.8
96.95994	7.8
98.20041	1.3
109.02930	1.6
115.00394	4.2
120.01263	1.5
125.02415	1.4
128.03555	2.7
132.03030	16.3
135.04507	3.5
137.02463	2.7
141.01907	2.2
143.04605	1.9
153.01884	7.7
163.03987	3.6
165.01897	6.3
176.46532	1.3
179.03487	3.8
181.01414	6.0
182.02214	28.2
183.02974	29.9
191.03522	1.5
195.03020	1.6
205.05008	4.9
207.03001	3.3
208.03598	1.8
209.04556	5.7
233.04491	9.1
233.08107	1.6
234.08907	1.6
235.09737	19.2
251.09280	3.3
262.08459	24.0
263.06543	2.0
263.09216	23.9
264.09641	2.1
275.09143	1.5
279.08716	25.2
280.08929	1.7
283.06012	2.1
294.11130	8.8
295.11826	3.2
327.07257	3.9
345.08228	32.8
346.08688	2.9
425.14447	19.4
457.17126	100.0
458.17560	5.7
488.78201	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	589.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06659	0.3
59.01377	100.0
60.01694	0.3
61.98842	0.6
70.36147	0.9
71.01392	0.4
143.10327	0.3
174.78804	0.3
277.21707	8.5
305.63419	0.3
379.48700	0.3
535.71051	0.4
584.00397	0.3
594.88818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88285	1.0
53.44430	1.0
53.99765	1.2
61.10823	1.2
71.01346	1.5
71.07132	1.6
83.01398	1.6
83.82751	1.1
99.00883	1.2
102.05608	7.6
128.03520	7.5
134.19965	1.0
137.02437	6.0
141.75923	1.1
146.04576	11.1
152.04794	5.4
153.01945	1.2
163.04103	1.3
165.01932	7.2
165.05557	1.4
167.03462	10.7
179.03593	1.5
181.05066	17.2
182.02208	15.1
183.02986	14.8
184.03693	3.4
195.02962	14.1
207.03021	1.9
208.03752	35.5
209.04546	27.9
221.04643	1.5
233.04468	2.3
234.30081	1.2
235.09871	2.1
262.08398	4.3
263.09232	2.7
280.09460	7.1
300.02643	1.4
301.03485	1.9
345.08240	24.7
371.09781	34.8
372.10220	2.0
425.14444	4.0
443.15533	100.0
444.16101	7.0
447.09222	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	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25695	0.2
61.98803	0.2
69.76125	0.8
72.10033	0.2
72.99306	1.7
75.00871	100.0
76.01219	0.3
89.02503	0.2
96.19299	0.2
98.20655	0.3
115.05409	0.2
262.08401	0.2
277.21701	0.6
363.40793	0.2
489.64865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
58.30877	0.8
59.01369	3.3
61.98839	4.8
65.00307	1.8
69.03446	1.5
71.01389	2.7
72.99311	1.3
75.00861	1.3
77.03958	1.0
78.95882	2.3
81.03435	1.8
83.01380	5.7
85.02947	1.6
88.98850	1.1
89.02487	1.0
90.19920	0.9
93.03466	1.2
94.59151	0.8
95.01374	1.8
97.02927	2.4
99.00880	1.5
101.02431	1.8
109.02949	5.4
111.00883	5.2
113.02464	1.9
115.00442	1.2
121.02950	2.8
123.04594	1.2
124.01677	3.8
125.02422	3.2
127.55183	0.9
136.98793	2.8
137.02435	10.1
139.00339	6.2
139.04010	1.9
141.01930	6.6
151.04056	1.2
152.01079	1.1
152.99564	2.9
153.00700	2.2
153.01926	38.2
154.99855	0.9
157.01436	2.1
165.01910	8.2
165.99030	2.0
167.03482	2.9
171.10283	5.2
179.03502	1.5
180.00633	3.1
181.01421	100.0
182.02199	89.9
183.02971	91.6
184.03323	1.8
194.02173	1.6
195.02980	3.2
198.01692	2.6
199.09763	1.4
199.13321	1.1
201.11328	1.9
209.04483	1.5
209.08138	1.0
209.11781	2.6
211.13283	1.9
229.48695	1.0
237.03870	2.2
263.08859	1.3
327.07153	2.3
345.08298	3.9
346.08301	1.3
499.18179	27.1
500.18466	2.5
527.17578	12.4
529.19470	2.6
553.18939	6.3
571.20264	14.1
572.20734	1.2
580.23267	1.0
589.21130	15.7
589.29413	1.5
590.27991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.3
61.98825	4.2
65.00317	1.7
65.62003	0.7
66.05743	0.7
69.03439	2.1
69.58230	3.2
69.58647	1.7
71.01380	3.1
73.02940	0.8
77.04010	1.1
78.95895	0.8
81.03432	1.8
83.01377	6.8
85.02968	1.7
87.00864	1.0
89.02438	0.9
93.03466	3.9
93.63380	0.7
95.01391	1.2
95.05006	0.9
96.96006	1.0
97.02950	2.3
98.20615	1.5
99.00893	2.0
109.02975	5.0
110.00052	0.8
111.00889	6.2
113.02457	1.1
114.79608	0.7
121.02945	3.3
124.01662	2.4
125.02457	3.7
125.09762	0.9
133.02911	1.1
135.00847	1.1
136.98834	3.9
137.02446	18.0
139.00378	7.5
139.04004	1.5
141.01917	6.6
145.02966	0.8
148.84888	0.7
149.02374	1.1
151.03973	1.4
152.01115	1.1
153.01938	39.4
154.02182	0.7
157.01411	1.4
161.02325	0.9
165.01921	7.5
165.99052	2.9
166.02635	1.0
166.99825	1.5
167.03476	2.2
169.01498	1.1
169.12357	1.1
171.10304	4.0
179.03543	1.8
180.00626	3.2
181.01424	100.0
182.02202	90.5
183.02975	94.6
184.03282	2.4
189.03932	0.7
193.65086	0.8
195.02904	3.5
198.01732	2.9
199.02458	1.2
199.09804	1.8
201.11372	3.6
207.02963	1.5
209.11803	2.7
214.55920	0.7
223.02539	0.8
225.03979	1.0
225.11479	1.2
227.12720	1.0
256.93234	0.8
262.08365	1.8
275.61929	0.7
327.07208	3.1
345.08340	2.9
415.12427	1.3
425.14462	2.2
499.18225	26.6
500.18613	1.7
527.17822	10.9
529.19263	2.0
545.18811	1.2
545.26410	1.2
553.19269	6.4
554.20685	1.0
571.20276	11.7
572.20441	1.0
589.20673	16.2
590.21149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13871	0.7
69.03466	1.0
70.08969	2.9
71.01359	1.0
72.00895	2.1
74.02484	4.9
75.74376	0.8
82.02985	6.1
82.57484	0.7
84.04538	5.5
86.02477	3.0
88.98806	1.7
96.95984	1.5
97.02990	0.9
99.57965	0.9
101.07189	3.9
125.02444	39.9
126.09283	0.8
127.05125	5.1
128.03540	50.2
138.09258	1.6
169.01413	89.8
169.13460	6.6
170.01735	1.4
185.49644	0.8
195.11371	12.7
213.12439	100.0
214.12735	3.2
235.10719	1.1
239.10480	1.1
256.08197	1.5
257.11417	33.4
258.11740	1.6
260.28619	0.7
287.79120	0.9
331.06699	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	589.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.8
61.98826	5.9
63.92777	1.2
65.00313	2.0
68.99803	1.1
69.03454	1.3
71.01357	3.8
71.53420	2.1
73.91814	1.2
75.00878	1.4
81.03461	1.2
83.01365	6.5
84.42477	1.0
85.02926	2.3
89.02431	2.1
93.03453	3.2
95.01361	1.5
96.96011	1.5
97.02948	1.3
99.00861	2.8
101.02410	1.5
109.02940	4.9
109.06586	1.7
111.00854	6.4
121.02946	3.3
124.01633	1.9
125.02410	3.9
127.93727	1.2
128.03578	1.3
131.96742	1.1
135.04456	1.4
136.98769	3.7
137.02423	15.7
139.00366	7.8
139.04034	2.0
140.01178	1.4
141.01936	10.4
143.04561	1.9
153.01915	40.4
161.02440	2.6
163.04007	1.6
163.13214	1.3
165.01910	7.8
165.99007	2.9
167.03487	1.9
171.10335	5.7
175.02443	2.6
180.00635	3.2
181.01408	100.0
182.02185	93.4
183.02957	92.4
183.04297	1.0
184.03220	2.9
195.02907	2.1
198.01730	2.2
199.09729	2.3
201.11339	1.5
207.02925	2.4
209.04475	1.5
209.11754	2.5
211.13324	1.7
225.11346	1.5
233.04353	1.5
262.08572	1.5
327.07156	2.1
345.08228	4.0
370.66110	1.2
415.12494	1.9
425.14407	4.2
499.18167	26.3
500.18420	2.3
527.17535	11.5
529.19031	2.2
545.18073	1.6
553.18799	7.6
571.20251	13.9
589.20691	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	589.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99551	0.2
69.16882	1.6
72.48470	0.1
79.95737	2.5
93.08364	0.1
96.96008	100.0
106.46230	0.1
112.98572	0.3
114.50125	0.1
114.50948	0.1
116.92917	0.3
122.51867	0.1
123.53170	0.2
137.02420	0.2
153.01906	0.4
156.73668	0.1
165.01883	0.3
181.01392	0.3
182.02190	4.0
183.02971	4.3
257.27600	0.1
292.93277	0.2
297.63745	0.1
327.07260	0.5
345.08228	7.6
346.08429	0.4
443.05042	0.4
491.11282	0.2
572.02094	0.2
577.84259	0.2
589.21747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60353	0.2
59.60715	0.2
60.08063	0.2
61.98818	0.5
66.63222	0.2
71.01394	0.2
71.52562	0.3
76.58257	0.2
79.95735	3.1
89.02404	0.2
91.42169	0.2
96.96006	100.0
109.02961	0.3
119.05019	0.2
135.04507	0.5
145.02946	0.3
153.01903	0.8
161.58044	0.2
165.01907	0.5
181.01396	1.0
182.02203	2.9
183.02965	2.8
201.25459	0.2
327.07227	1.3
345.08240	4.0
374.53653	0.2
442.71484	0.2
491.11890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.01376	25.4
61.98831	2.8
71.01376	6.6
85.02949	2.2
89.02428	6.1
96.67992	1.5
98.20664	3.7
101.02414	4.5
113.02420	3.5
119.03481	2.2
121.02948	1.6
121.10232	3.0
125.09736	4.8
132.88425	1.4
135.04564	1.9
153.12804	2.2
161.04546	2.2
167.05417	1.4
179.03513	2.4
179.05521	1.4
185.11897	2.5
185.27411	1.4
211.13446	1.9
220.14752	1.6
221.15509	2.0
225.11334	2.9
233.07996	1.8
247.20650	4.3
253.09250	19.0
262.08356	1.9
263.20145	9.2
273.18546	9.2
291.19653	100.0
292.19894	4.1
407.13547	4.2
412.36731	1.5
412.59021	1.5
425.14807	3.3
527.28516	21.9
587.05664	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	588.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93674	0.9
61.98827	11.6
63.25068	0.9
68.50162	0.9
69.14543	6.5
69.14967	3.1
71.01395	0.9
78.42047	1.0
83.01372	2.5
85.02953	1.0
97.02973	1.1
98.02095	0.9
98.19910	1.6
98.41312	1.0
98.98100	0.9
99.00891	1.4
109.02935	2.1
111.01005	0.9
114.49467	1.0
123.04519	0.9
134.03717	1.0
135.04512	26.7
136.04814	1.0
137.02428	9.3
141.01927	2.0
143.12798	0.9
151.04001	1.4
153.01953	9.1
161.02399	2.4
165.01926	3.8
166.02765	1.7
181.01405	17.8
182.00885	0.7
182.02184	58.4
183.02963	66.2
184.03279	1.3
195.02950	2.4
207.03049	1.1
237.04214	1.1
327.07181	17.2
345.08228	100.0
346.08569	4.4
387.09329	11.3
496.90347	1.1
507.11255	9.9
525.12463	26.4
526.13068	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98949	0.3
53.34598	0.4
55.70292	0.4
57.03428	0.6
64.58566	0.4
68.99798	0.5
69.03448	1.5
69.85010	1.4
69.85418	0.7
71.01371	1.0
77.03954	1.3
81.03434	0.7
83.01396	3.0
83.05027	0.5
93.03456	0.9
95.01386	0.8
97.02944	1.8
99.00877	1.9
101.68374	0.5
108.02209	0.5
109.02950	0.9
110.00134	0.7
111.00877	3.9
111.04514	0.7
121.02965	2.2
123.04536	0.6
125.02438	1.0
129.02003	0.6
132.60837	0.4
136.98735	0.6
137.02435	8.6
139.00380	3.7
139.03972	1.3
140.01050	0.9
141.01938	4.6
151.04022	1.3
152.73566	0.5
153.01932	6.3
155.03477	0.7
156.39259	0.5
157.42038	0.4
163.04016	0.5
165.01924	9.8
165.99048	4.1
166.02670	1.0
166.99834	1.7
167.03435	1.0
177.01936	0.9
179.03575	0.6
181.01425	8.4
181.03009	0.3
181.04991	0.6
182.02200	100.0
183.02968	84.9
184.03322	1.7
191.25673	0.5
194.02177	1.8
195.02962	1.8
197.11807	0.6
207.02951	0.5
209.11855	2.9
225.04027	0.9
262.08374	0.8
323.69662	0.4
327.07224	1.4
555.11499	0.6
555.20782	48.3
556.21210	4.2
587.23444	57.3
588.23737	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	587.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
61.98813	0.9
64.44975	0.4
71.06860	0.6
77.54974	0.4
83.01379	2.3
107.93267	0.4
124.01646	0.6
133.02933	0.6
134.03711	0.6
135.04541	3.2
137.02492	0.9
138.03192	1.1
150.03246	0.7
152.01172	0.5
153.01942	0.4
157.08672	2.3
161.02478	1.0
163.03989	4.7
164.04800	1.2
165.01894	3.7
166.02673	1.2
170.02167	0.7
171.10207	0.9
177.05585	1.5
178.02660	0.9
179.03494	2.7
183.03073	0.5
191.03481	3.4
191.07104	0.7
192.04276	1.3
193.01399	0.7
193.08554	0.8
197.11783	0.6
201.78134	0.4
205.05005	9.3
206.09442	2.4
207.02982	2.7
207.10307	0.5
211.13324	1.9
217.08662	1.0
219.06595	1.2
219.10242	1.0
221.08189	0.9
233.04533	20.6
233.08253	1.3
234.04825	0.5
234.08937	1.9
235.09735	19.1
235.12119	0.9
245.08043	0.7
247.06161	0.5
247.09624	0.6
261.07565	0.8
262.08438	42.8
263.09198	24.0
264.09711	0.7
275.09311	0.8
291.19705	0.7
347.11295	0.4
351.12384	0.9
425.14505	100.0
426.14890	6.2
555.19031	1.6
605.77936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82693	0.3
59.01368	0.6
61.98824	1.5
69.47039	0.3
70.70074	0.4
70.70409	0.6
71.01398	0.7
76.43901	0.3
83.01369	2.0
85.02962	0.5
88.23573	0.3
97.02888	0.3
115.86476	0.3
119.05031	0.7
124.01671	0.6
125.75143	0.3
135.04532	2.3
137.02434	0.8
138.03232	0.6
141.01915	0.4
141.96724	0.3
143.04900	0.4
145.03044	0.3
147.08188	0.4
150.03223	0.8
152.01151	1.0
153.01894	0.7
157.08682	0.8
163.03986	3.9
164.04761	0.9
165.01938	3.6
166.02768	1.5
171.10260	1.1
177.05573	2.0
178.02715	0.9
179.03430	1.5
182.02213	1.2
183.02864	1.4
187.04088	0.3
191.03497	4.7
191.07159	0.6
192.04279	1.3
193.08730	0.4
194.02211	0.5
195.03018	0.5
197.11705	0.6
198.01654	0.6
205.05043	9.9
206.05493	0.3
206.09480	2.6
207.02962	2.4
207.04755	0.4
211.13423	1.0
215.03523	0.5
217.08704	0.6
219.02647	0.4
219.06607	1.1
219.10172	0.8
221.08221	0.7
229.04970	0.5
233.04524	19.7
233.07866	1.5
234.04962	0.5
234.08891	2.5
235.09735	14.4
236.10107	0.6
245.08130	0.7
247.06178	0.7
257.08157	0.5
261.07614	1.2
262.08435	43.4
263.09186	22.3
264.09616	0.7
275.09201	1.1
351.12354	0.6
407.13507	1.2
416.53683	0.3
425.14505	100.0
426.14859	6.0
445.33282	0.3
468.83194	0.3
555.18805	1.5
587.23273	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	585.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
69.84593	0.2
70.74718	0.4
70.75072	0.5
78.95905	1.1
79.62006	0.2
93.03457	0.9
106.46197	0.2
116.92847	0.4
119.05021	100.0
120.05358	2.3
144.94923	0.2
163.03999	75.7
164.04337	2.0
194.12849	0.2
205.05067	0.3
261.75064	0.2
585.19745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32893	1.1
57.61352	1.1
59.01368	2.2
61.98825	18.7
68.99567	1.7
71.01379	2.6
71.52903	1.9
77.31234	1.2
83.01354	1.5
85.02909	1.7
88.98810	1.8
89.02452	2.2
91.77272	1.3
93.03452	5.1
95.57542	1.3
101.02406	1.6
111.00870	2.2
137.02470	8.3
141.26454	1.3
153.01906	1.7
161.02473	2.8
165.01964	7.9
167.03484	2.7
171.04518	2.2
181.01453	2.8
182.02179	3.8
183.02956	5.6
195.03020	4.2
209.00926	1.6
221.00812	2.0
234.01695	3.6
235.02414	4.3
241.04936	1.7
243.06581	2.9
259.06119	50.0
260.06204	1.7
266.04236	8.8
267.05023	3.1
273.07617	1.7
287.05612	31.1
288.06052	2.4
301.07144	1.5
329.06644	3.9
339.44299	1.8
357.18649	1.4
360.08472	33.9
361.09235	15.7
405.75970	1.4
425.14529	2.4
429.10355	4.1
523.14545	100.0
524.14581	9.4
551.18146	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00162	1.1
55.01844	0.9
57.03450	1.3
59.01376	1.6
61.98814	1.0
69.24614	3.5
69.25041	4.6
71.01357	1.3
75.00887	0.9
78.95944	0.9
79.98212	0.9
83.01389	5.2
85.02966	0.8
107.42360	1.0
123.00917	1.2
137.02466	1.2
138.03204	1.4
141.01930	3.3
150.03217	1.5
153.01936	2.2
165.01877	1.1
166.02748	1.6
177.05661	1.1
179.03476	1.2
183.02953	1.3
203.03438	2.1
233.04576	2.2
273.14893	1.8
291.16138	1.0
293.13940	2.4
294.41104	1.0
297.03882	0.9
303.15970	2.4
305.13980	1.8
307.15457	2.7
315.16129	1.3
331.15637	2.2
333.17252	1.3
347.15048	1.7
349.16718	3.5
359.14487	1.3
371.14883	1.8
373.16385	1.2
375.14078	0.9
376.14926	1.1
377.15997	3.9
385.16562	1.1
401.16275	1.0
443.16739	0.9
493.20602	2.7
503.18906	2.4
521.20227	24.1
522.20679	1.2
553.22876	100.0
554.23328	6.8
585.25977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98817	0.4
69.72591	0.3
69.73000	0.5
79.95737	2.5
96.96005	100.0
97.95923	0.3
119.05041	0.3
133.02940	0.5
135.04546	0.8
137.02493	0.1
145.02945	0.3
161.02454	1.1
163.03969	0.3
167.03470	0.2
175.02528	0.3
179.03502	1.0
182.02196	0.2
183.02977	0.3
216.95168	0.1
223.16946	0.1
323.07877	0.2
345.08139	0.2
387.24030	0.6
426.41370	0.2
487.12454	1.0
494.45551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01365	1.5
61.98818	4.6
63.55406	0.8
70.99509	1.9
71.01367	2.3
83.01387	5.8
85.02943	1.8
124.01601	1.1
126.01631	0.9
137.02464	1.0
138.03212	1.8
139.03954	1.0
139.05859	0.9
141.01939	5.9
150.03217	2.1
152.01035	0.9
153.01888	3.1
163.04053	1.3
164.04733	1.8
165.01860	2.5
166.02710	0.9
171.10880	0.8
179.03503	1.4
183.02953	2.5
189.04057	1.3
205.04967	1.1
207.02995	1.1
229.04936	1.4
233.04428	1.5
273.15054	1.0
287.16263	1.1
289.14359	1.5
293.13968	1.7
303.15936	1.8
305.13870	2.4
307.15424	2.6
331.15457	2.9
333.16913	1.4
335.14813	1.8
347.14767	3.0
349.16556	5.3
359.14938	2.8
361.16476	1.0
373.90933	1.2
376.15118	1.3
377.16000	3.6
391.17624	1.2
493.20627	1.6
503.19247	1.7
521.20215	24.6
522.20483	2.1
522.28101	1.8
538.60583	1.1
553.22882	100.0
554.23083	7.5
563.31525	1.1
585.25195	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	584.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07644	0.1
57.18782	0.1
59.01370	0.3
61.98828	100.0
64.81944	0.1
68.99558	0.1
69.48920	1.0
70.47285	0.1
71.01398	0.2
72.13761	0.2
81.43598	0.1
87.00898	0.2
96.96017	0.3
98.20691	0.2
99.92601	0.4
113.76354	0.1
115.00407	0.2
115.92104	0.2
119.05077	0.1
125.92976	0.2
135.04538	0.2
137.02460	0.2
143.04623	0.3
144.39978	0.1
161.02512	0.3
165.05678	0.1
175.02574	0.3
182.02258	0.3
183.03064	0.3
235.15129	0.1
272.09067	0.2
287.22372	0.2
306.07834	0.4
345.08347	0.3
585.81427	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.0
61.98827	100.0
64.49351	0.8
69.19983	2.3
69.20403	5.8
78.22359	0.9
102.34595	0.8
104.58088	0.9
149.93822	0.9
182.02196	2.0
183.02751	2.2
207.14359	1.1
229.59294	0.9
245.97876	1.0
272.00571	0.8
584.31488	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	583.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64174	0.1
59.01374	0.3
61.98827	100.0
68.59909	0.1
69.37624	0.7
69.38046	0.4
78.95898	2.6
80.96334	0.2
83.91184	0.1
96.96928	0.2
98.19882	0.3
99.92645	0.1
115.92096	0.5
116.92124	0.3
116.92908	0.4
117.91921	0.2
117.92871	0.1
120.17582	0.1
130.84363	0.1
149.07980	0.1
152.99550	0.8
171.00693	0.4
178.88382	0.2
179.89226	0.4
180.89952	0.2
182.89912	0.4
196.89522	0.4
197.89410	0.3
198.89429	0.5
236.92526	0.2
237.92606	0.1
238.92766	0.2
281.24881	2.2
282.25082	1.1
283.25543	0.7
284.25760	0.4
304.78091	0.1
307.42575	0.1
435.25464	0.2
487.89966	0.2
506.32343	0.8
507.33002	0.2
508.33768	0.3
509.33633	0.5
547.16718	0.2
583.18658	2.7
583.33850	0.4
584.18469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84082	0.6
61.98828	100.0
65.00321	1.2
69.03468	0.9
69.24706	6.6
71.01382	1.6
75.99887	0.7
83.01395	2.7
85.02982	1.0
88.98819	1.0
109.02983	2.7
111.00889	2.8
117.03501	1.1
121.02974	1.9
123.00898	0.9
125.02500	1.2
134.03731	13.6
134.04710	0.9
135.04411	0.9
136.98811	2.0
137.02481	6.0
139.00404	2.0
139.04108	0.9
140.01183	0.8
141.01961	2.7
143.56406	0.8
149.06142	1.4
151.04019	1.1
153.01932	35.5
154.02422	0.8
161.02405	0.8
165.01955	5.8
165.99118	1.1
166.02744	1.9
166.99840	0.8
167.03513	1.9
178.02711	1.3
181.01413	66.7
182.02193	58.5
183.02972	67.6
184.03320	1.7
193.05058	9.9
195.02943	1.6
207.03050	3.7
221.04460	0.9
225.04173	1.8
249.04079	1.3
285.06219	0.9
327.07181	96.0
328.07654	4.9
345.08240	73.7
346.08755	3.0
393.27551	0.8
521.12988	31.1
522.13770	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	584.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19472	0.4
59.01372	0.9
61.98829	45.2
68.15945	0.4
70.27160	1.6
83.01385	1.0
88.98810	0.6
99.98617	0.5
111.00851	0.7
121.02943	0.6
125.02374	0.6
134.03740	1.3
137.02432	2.2
139.00375	0.8
139.04012	0.7
141.01918	1.2
151.00346	0.5
153.01959	2.7
158.70078	0.5
163.95734	0.5
165.01920	3.6
165.99026	0.9
166.99812	0.5
181.01427	4.6
182.02199	51.0
183.02971	59.2
184.03337	1.1
193.04933	0.7
195.03009	1.3
207.02991	0.8
225.04041	0.5
327.07175	3.4
345.08243	100.0
346.08655	4.3
425.08899	0.5
431.26425	1.1
447.14801	0.5
449.27628	0.8
521.13007	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	584.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.8
61.98825	27.8
63.54629	1.5
65.45724	1.6
71.01376	3.1
71.40984	2.3
83.01411	3.8
88.98796	2.7
96.95963	1.6
109.02966	1.3
111.00860	3.0
121.02810	1.4
134.03708	2.4
137.02467	7.2
139.00354	3.2
139.03969	1.4
140.01042	1.9
141.01906	4.2
153.01965	8.2
161.02417	3.7
165.01901	9.8
165.99046	2.6
166.99869	2.3
175.03938	2.0
181.01425	10.7
182.02205	98.0
183.02972	79.8
193.05133	1.8
195.02962	2.3
306.52240	1.4
327.07104	4.7
345.08237	16.5
521.12958	100.0
522.13300	6.7
522.20770	1.5
584.24060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.7
60.07783	0.8
69.40913	6.6
71.01380	8.5
72.99304	1.1
73.02922	1.3
83.01401	1.4
85.02962	2.0
85.06575	6.3
89.02438	9.5
96.96024	1.3
98.19910	1.8
101.02443	6.8
109.02932	1.3
113.02451	4.5
113.06084	1.4
115.07605	1.2
116.92857	1.7
119.03479	4.7
124.00745	0.9
125.02414	1.6
128.03540	0.9
131.07133	34.2
144.04517	0.8
151.04047	1.1
169.01437	1.3
173.08139	1.0
190.02713	1.2
242.04924	1.3
243.02849	2.3
250.72949	0.8
251.88196	1.1
289.07031	5.0
293.12402	100.0
294.12689	3.2
331.06815	1.0
364.23676	0.8
447.09167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37576	0.4
59.01376	0.6
65.49980	0.4
67.01921	0.5
67.38587	0.4
68.15572	0.4
69.03452	1.5
69.86555	2.2
71.01373	0.9
72.07800	0.4
77.03958	1.5
81.03413	0.4
83.01371	2.6
93.03445	0.7
95.01407	0.5
97.02951	1.2
98.20570	0.7
99.00882	1.8
99.04568	0.5
108.02216	0.5
109.02962	1.0
110.00081	2.0
111.00865	2.4
121.02948	1.8
123.00830	0.6
125.02411	0.6
127.03923	0.4
136.98802	0.6
137.02437	7.1
139.00392	4.2
139.04007	1.3
141.01926	4.2
151.56647	0.4
153.01915	5.3
155.03481	0.4
165.01913	9.3
165.99074	3.5
166.02698	0.7
166.99823	1.5
167.03493	0.5
181.01436	9.0
182.02200	100.0
183.02969	80.6
184.03328	2.1
192.07652	0.4
194.02116	1.0
195.02982	1.5
207.03017	0.8
225.04005	0.7
228.31818	0.4
255.23222	1.3
280.19995	0.5
288.02866	0.5
327.07251	1.5
492.48651	0.5
553.25592	0.5
583.31201	84.6
584.31567	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	581.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04798	0.4
59.01377	100.0
60.01714	0.5
61.98831	0.6
94.03117	0.4
94.32598	0.4
98.20687	0.8
100.10454	0.4
102.57198	0.4
105.79786	0.4
110.93640	0.5
113.95844	0.5
115.26247	0.4
199.60616	0.5
277.21692	4.8
277.24442	0.5
409.14438	0.4
557.00317	0.5
581.30048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60543	1.2
61.98824	3.8
67.98111	1.2
71.52311	1.4
85.96806	1.1
109.38663	1.1
159.95645	1.3
182.02200	2.0
254.05820	1.8
267.06641	2.3
277.08511	1.7
291.06598	57.8
292.07101	5.4
305.08136	2.8
306.09042	2.3
319.09756	1.4
334.12402	1.4
335.12866	100.0
336.13199	3.7
390.84692	1.4
429.23196	1.3
478.43338	1.2
497.18265	16.6
521.27521	2.3
539.19165	63.0
540.19177	4.0
565.17072	1.2
583.18018	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	583.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.4
61.98820	1.9
70.68269	0.7
70.74122	1.2
70.74448	0.8
71.01362	1.5
78.95900	88.9
96.96027	1.2
96.96954	4.7
99.92571	10.0
100.93336	2.3
112.98552	0.9
115.92071	37.8
116.92171	1.0
116.92853	26.1
120.96951	1.3
142.94434	1.0
150.97998	4.5
152.99577	32.3
155.95175	1.5
163.89619	1.0
164.90494	1.5
167.74800	0.7
171.00656	7.1
172.95485	6.1
178.88414	11.4
179.89218	26.9
180.89992	20.1
181.90721	1.5
187.32378	0.9
194.87871	2.4
196.89474	37.7
197.89500	1.2
204.90018	1.1
205.90744	2.2
206.91501	3.2
208.89445	2.0
218.91560	1.2
219.92262	1.2
234.90866	1.6
235.91841	9.3
236.92592	19.8
252.92055	3.6
255.23218	11.4
270.93140	1.1
277.21643	1.5
278.93613	2.2
326.95795	0.8
409.23865	1.3
412.07819	0.9
435.12158	0.8
475.15570	7.1
483.27307	0.8
492.15964	6.4
517.16528	1.2
535.17859	4.0
547.17780	4.9
583.19775	100.0
584.19946	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	581.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74170	0.3
61.95345	0.2
65.00330	0.3
67.01870	0.3
68.99821	0.5
69.03458	1.2
71.01383	0.7
71.40194	0.4
77.03971	0.9
79.01899	0.4
81.03463	0.6
83.01387	2.7
85.02951	0.5
89.77663	0.2
93.03440	0.4
95.01417	0.6
95.05013	0.3
97.02946	1.3
99.00871	1.6
108.02169	0.4
109.02959	0.9
110.00091	1.6
111.00883	3.2
121.02969	2.3
123.00865	0.5
123.04494	0.4
125.02445	0.7
129.02031	0.3
136.98856	0.4
137.02438	6.7
139.00374	3.2
139.03978	1.2
140.01155	1.1
141.01939	4.2
151.03987	0.9
153.01924	5.6
155.03444	0.5
163.03969	0.3
164.01111	0.4
165.01924	8.6
165.99088	3.7
166.02698	0.8
166.99843	1.8
167.03529	0.5
177.74579	0.2
179.03497	0.4
181.01421	9.1
182.02199	100.0
183.02963	85.7
184.03342	1.9
186.01648	0.3
194.02216	1.0
195.03059	1.5
207.02998	0.7
225.03981	0.5
253.21703	2.0
327.07370	1.3
345.08221	0.4
581.29633	81.1
582.29913	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58926	0.1
52.83674	0.1
59.01369	0.2
61.91621	0.1
61.98827	100.0
69.22995	0.8
78.95911	0.4
80.96517	0.2
82.96088	0.3
86.68384	0.1
106.68054	0.1
152.99635	0.5
206.77292	0.1
279.23267	2.2
280.23566	0.7
281.23862	0.5
282.24225	0.3
347.76971	0.1
504.30795	0.9
504.37271	0.1
505.31454	0.2
506.31607	0.2
507.31683	0.5
540.49713	0.1
581.27649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
59.34903	0.1
60.03915	0.1
61.98828	100.0
62.98524	0.1
71.36103	0.2
77.24920	0.1
78.95918	0.7
80.96321	0.1
87.53996	0.1
104.84229	0.1
105.38124	0.1
152.99620	0.4
213.15089	0.1
238.12727	0.1
241.35513	0.1
279.23267	1.5
279.26025	0.1
280.23679	0.6
281.24039	0.3
282.24323	0.2
317.69611	0.1
433.23618	0.2
504.31036	1.3
505.31442	0.2
507.31940	0.7
540.99158	0.1
552.03802	0.1
581.32202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.9
61.98828	14.7
70.52590	1.3
71.01395	0.9
73.02925	0.5
78.95939	0.4
83.01410	0.5
88.98820	1.4
93.03477	0.6
98.20677	0.4
98.63261	0.4
101.02461	1.0
116.92857	5.0
121.02985	1.8
133.02945	0.5
135.04524	0.6
145.02994	0.6
147.04463	0.7
149.02492	2.1
150.03207	3.0
151.04054	1.1
161.04686	0.7
164.04828	1.3
165.05580	3.2
175.03963	1.0
180.04378	1.0
191.07164	0.9
193.01466	0.8
193.05156	1.0
194.05814	0.5
195.06693	2.0
205.08731	1.0
207.06631	0.8
208.03891	1.6
221.06691	0.5
223.06126	4.1
227.03610	0.5
227.07248	1.3
248.56313	0.5
255.10320	0.7
265.07428	0.8
269.08170	8.8
270.08582	0.5
271.09918	0.5
281.08301	1.1
283.09726	3.0
297.11383	0.6
299.09250	5.4
311.09210	7.0
311.12701	0.5
314.11578	11.6
325.11011	1.6
326.11594	8.4
329.13916	48.8
330.14182	3.0
341.13904	28.2
342.14465	2.1
359.15329	0.7
389.16049	8.1
389.20767	0.6
419.13248	2.2
581.19519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43010	0.4
61.98821	1.1
70.36939	1.2
82.58101	0.4
96.01174	0.4
102.23519	0.4
104.26062	0.4
132.21808	0.4
182.02187	0.8
183.02933	1.0
259.07706	0.6
275.07080	4.3
287.07175	0.6
289.08759	1.1
289.12152	0.7
303.06607	47.8
304.07074	3.4
304.11026	5.4
317.08347	0.7
317.11908	1.5
327.06363	0.4
329.11783	0.7
332.10638	2.4
333.11298	100.0
334.11636	6.4
344.10706	0.4
345.11453	0.6
357.11365	0.9
375.12283	1.6
395.99655	0.5
495.16638	4.8
537.17639	93.5
538.18024	7.9
563.15668	1.1
581.25720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38876	2.7
59.01073	3.6
59.01374	62.7
61.98824	38.5
69.03457	7.0
69.19109	24.1
71.01385	67.5
72.99303	2.7
73.02940	6.5
75.00896	3.2
79.48466	3.1
81.03459	5.6
83.01383	7.1
85.02947	9.6
87.00857	4.2
88.98804	11.2
89.02442	84.5
93.03451	57.6
96.96021	18.5
97.02943	9.8
99.00843	15.5
101.02443	18.0
107.05042	4.6
111.00896	3.0
112.98600	2.9
113.02399	6.6
115.03963	6.5
117.03454	2.8
119.03497	2.6
119.05013	11.6
121.02950	72.1
123.04471	3.4
125.02440	52.1
131.03494	12.1
135.04504	2.9
137.02437	62.0
143.03537	4.5
149.02429	14.1
149.04492	15.1
151.00215	3.3
151.04012	4.4
153.01900	5.7
161.02432	2.8
163.03941	4.7
163.28847	2.7
165.01909	4.3
167.03487	4.9
175.00443	4.1
175.04041	3.1
179.03442	9.0
181.01436	8.7
182.02203	22.4
183.03027	16.5
189.05486	3.5
191.03481	49.6
191.05577	8.2
195.02979	3.6
197.06075	6.7
203.03514	5.8
205.05017	4.5
209.04356	5.7
227.07076	37.1
233.04475	7.2
233.06581	35.0
273.07401	3.6
293.08774	100.0
297.07654	46.6
298.07968	4.8
315.08838	18.9
327.07205	8.1
339.08728	16.7
345.08157	22.1
413.10913	37.9
415.12521	4.2
417.12219	5.0
435.12726	5.3
487.10416	7.1
521.33252	5.4
581.13776	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	581.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
60.99303	8.2
61.98830	14.6
65.62828	1.1
67.70924	1.1
71.01387	3.2
71.52568	1.5
71.52950	1.3
76.11440	1.2
81.03397	1.3
83.01395	3.1
85.02965	1.5
88.98805	43.2
88.99361	2.4
90.92722	1.1
92.03780	1.1
93.03464	1.2
95.01371	1.3
96.95964	1.6
97.02915	1.6
99.00867	2.9
101.02417	1.8
110.00092	1.4
111.00877	2.6
117.03426	1.6
119.05009	1.9
121.02975	2.2
123.04517	2.3
125.02435	1.5
128.03511	1.3
132.02151	1.4
133.02916	8.3
134.03293	4.2
135.04503	5.0
137.02452	6.5
138.19095	1.2
139.00349	1.7
139.03999	1.2
140.01183	1.1
141.01921	4.0
143.04720	1.5
145.02933	4.9
152.03445	1.4
153.01923	6.9
161.02425	24.0
162.02774	11.3
163.02875	2.4
163.04097	2.1
165.01906	10.4
165.99054	2.2
167.03494	1.8
179.03476	3.9
181.01442	9.0
182.02193	84.1
183.02968	72.5
184.03310	2.2
193.04874	2.6
195.02928	3.1
201.84616	1.3
207.02930	1.5
218.94949	1.2
235.02321	1.1
259.06100	2.5
278.32541	1.1
287.05759	1.4
303.07242	1.5
306.07813	2.1
327.07199	7.4
328.07568	1.5
345.08261	27.1
399.13913	1.3
487.10080	3.6
491.11902	100.0
492.12103	6.8
523.14630	5.9
580.28394	11.4
581.13770	1.6
581.21991	1.7
581.29071	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	581.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83200	1.0
59.01373	4.3
60.99301	14.6
61.98820	8.7
71.01385	6.5
71.51904	1.2
71.52276	1.2
75.66881	1.0
84.95615	1.0
88.98801	85.3
89.02428	3.0
93.03461	1.9
97.93153	1.1
111.00841	1.2
113.86623	1.0
115.00365	9.5
117.03445	1.5
123.00883	1.8
125.02442	1.4
131.08684	1.1
132.02144	3.0
133.01427	17.9
133.02922	1.8
134.03741	9.9
145.02885	1.3
149.06079	1.6
151.00349	4.5
153.01901	1.9
159.21161	1.3
160.01657	15.7
161.02390	2.0
163.03915	1.0
166.99919	1.1
175.03976	13.8
181.01454	1.8
182.02116	1.3
183.02887	2.9
190.99872	9.1
192.00578	2.4
193.01387	2.9
193.05049	10.0
205.59001	1.2
215.03293	1.1
217.03107	1.4
217.05045	18.8
234.01646	17.8
235.02449	17.4
244.03674	5.6
245.04515	43.7
246.04758	1.6
251.17184	1.0
258.05051	1.3
285.04013	11.7
287.05472	2.5
300.02682	3.5
301.03522	2.5
327.22580	1.1
329.06650	33.5
345.08423	1.8
397.07727	11.7
407.09619	2.2
447.09479	2.8
491.11905	100.0
492.12640	6.2
581.17694	1.7
581.26086	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	581.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72063	0.4
54.81944	0.5
55.28649	0.5
57.03450	1.8
59.01376	1.5
60.99303	1.3
61.98831	18.5
65.00330	1.3
70.60364	0.4
71.01377	1.8
71.52481	0.5
72.54028	0.4
72.73470	0.5
77.03995	0.7
78.95914	0.9
81.03454	8.1
83.01376	4.9
83.01752	0.5
85.02943	0.7
88.98809	5.6
92.72796	0.5
93.03456	8.1
93.04019	0.7
95.01401	1.0
95.05029	1.0
96.96036	0.8
97.02975	0.6
99.00892	1.0
99.04525	0.7
101.02406	0.5
107.01396	2.3
109.02975	1.8
111.00867	0.6
111.04534	0.6
113.02459	0.7
117.03480	2.1
119.05019	11.6
121.02976	2.8
123.04524	26.2
125.02441	11.6
135.04504	1.7
136.89220	1.5
137.02438	1.7
139.00340	0.7
141.01945	1.3
145.02946	8.7
149.02478	1.4
150.03230	1.1
151.00365	5.5
151.03992	1.2
153.01941	3.1
158.95590	0.4
160.01727	0.5
161.02501	1.0
162.22118	0.4
163.04016	2.5
165.01933	1.9
165.05527	1.1
166.02742	0.7
167.03490	68.0
168.03926	0.8
175.03926	0.9
177.01955	0.6
178.99916	1.7
179.03491	8.6
181.01434	3.2
182.02205	23.7
183.02971	19.0
184.03270	0.6
189.05544	1.0
191.03514	1.0
193.05006	1.0
195.02957	0.7
195.06569	0.5
199.03973	0.6
218.00044	0.5
227.03484	0.5
239.12056	0.5
240.38095	0.4
241.04790	0.5
243.02975	0.8
255.02959	1.7
255.06598	0.9
271.02380	3.7
273.07666	100.0
274.08081	3.6
300.02753	6.4
301.03485	9.3
303.07019	1.0
307.08255	1.6
327.07248	1.6
341.06638	0.6
345.08237	9.9
359.28049	1.8
363.05139	0.7
379.87024	0.5
385.13013	1.0
393.06033	0.6
417.11942	5.1
420.19373	0.5
459.05713	10.2
460.06134	0.8
474.11124	0.6
487.10098	3.2
491.11938	27.9
492.12097	1.7
581.08173	1.3
581.16302	4.0
581.29681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.6
60.39272	0.3
61.98827	3.2
63.99261	0.3
71.01374	0.4
71.52579	0.5
75.85950	0.3
78.95901	9.2
79.95723	0.6
80.96510	3.2
82.23209	0.3
94.98089	0.7
96.27814	0.2
96.96009	0.4
96.96937	0.4
109.01038	0.2
115.92084	1.0
116.92897	1.3
117.28626	0.2
145.33055	0.3
152.99565	2.3
163.50946	0.3
164.98628	0.5
168.04372	1.4
171.00632	0.9
172.95413	0.4
178.88382	1.3
179.89244	2.1
180.90030	1.4
196.89447	1.6
205.90686	0.4
224.06894	0.9
225.00789	0.5
226.01126	0.4
230.65593	0.3
235.91913	0.3
236.92558	1.4
242.07985	2.2
281.24829	100.0
282.25177	4.6
310.96399	0.5
312.82388	0.3
473.14011	0.5
491.65140	0.3
506.32480	39.7
507.32648	2.7
533.15540	0.4
563.16699	0.6
580.19604	0.4
580.28772	7.4
580.37561	0.6
581.18329	5.4
581.28351	0.8
602.73602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76283	0.3
57.52567	0.4
59.48755	0.4
60.99302	17.2
60.99621	0.8
61.98817	1.8
70.26952	0.7
70.27355	0.9
71.76376	0.4
88.98800	100.0
89.99120	0.6
109.02942	0.6
119.05022	1.9
135.04485	0.4
137.02458	0.7
153.01924	3.9
159.43257	0.4
161.02457	0.5
163.03978	1.7
165.01894	0.8
181.01411	6.9
182.02205	9.2
183.02962	9.9
235.02315	0.4
240.28499	0.4
246.35776	0.4
305.09650	0.5
327.07190	11.3
328.07407	1.1
331.25537	0.5
345.08203	16.3
346.08743	1.2
491.11719	3.9
607.76233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
60.99304	16.0
64.12344	0.3
69.34130	1.4
69.34546	1.2
79.55652	0.4
87.25401	0.3
88.98804	100.0
89.99185	0.5
111.00851	0.5
119.05035	0.4
121.02921	0.4
125.02449	0.7
135.04562	0.4
137.02435	1.0
141.01894	0.7
145.35515	0.3
151.41602	0.4
153.01910	0.9
160.91368	0.3
165.01917	2.0
181.01421	2.1
182.02197	25.6
183.02971	26.0
184.03323	0.7
189.40013	0.3
195.02986	1.1
207.45947	0.3
265.12482	0.4
319.92401	0.3
327.07111	1.8
345.08246	54.8
346.08521	2.8
393.26852	0.3
491.11902	1.4
521.33466	0.7
537.96155	0.4
551.37506	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
67.89385	0.6
71.52336	0.7
78.95898	7.2
80.96519	1.7
82.15508	0.6
96.96019	5.2
97.93202	0.6
99.92609	0.8
113.92657	0.8
115.92097	2.0
116.92864	1.3
145.07333	0.6
147.69450	0.6
152.99583	1.9
171.00563	0.8
177.89743	0.6
178.88470	1.2
179.89255	1.7
180.90002	1.5
182.61723	0.6
194.90031	1.3
196.89523	2.7
197.48517	0.7
236.92563	1.4
255.23561	1.2
333.60989	0.6
483.27151	0.6
545.16193	0.9
581.19385	7.2
581.30322	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	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12329	0.1
59.01371	0.3
61.92607	0.1
61.98829	100.0
62.98539	0.1
68.64393	0.1
69.22955	0.2
69.23359	0.6
75.14593	0.1
78.95905	0.3
99.43282	0.1
145.18608	0.1
152.99625	0.3
164.46509	0.1
277.21719	1.7
278.22076	0.7
279.22235	0.5
280.22736	0.2
342.99017	0.1
408.01083	0.1
408.07022	0.1
502.29333	0.9
504.30341	0.1
505.30539	0.4
564.27106	0.1
579.30908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43496	0.3
55.34597	0.3
61.98827	100.0
67.04100	0.3
78.95895	1.1
111.00902	0.3
130.33832	0.3
137.02390	0.4
139.67332	0.3
141.01956	0.3
146.92723	0.3
165.01962	0.4
181.01379	0.4
182.02170	3.2
183.02975	3.1
231.27194	0.3
270.09686	0.4
272.59421	0.3
277.21826	1.1
278.22162	0.7
344.14362	0.3
502.29337	1.5
505.30093	0.6
579.23871	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	580.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42075	0.9
59.01392	2.3
61.98832	44.1
69.81213	5.3
71.01400	2.5
83.01413	1.1
85.02956	1.0
88.98804	8.0
96.95990	1.2
101.02419	1.4
111.00921	1.0
117.03435	2.0
126.12113	0.9
128.03511	1.6
133.01427	1.8
133.02972	21.7
134.03748	27.1
135.04524	33.2
136.04889	1.2
137.02455	2.6
145.02922	1.6
149.06125	5.0
151.00459	1.4
151.14334	1.0
153.01958	3.2
160.01640	2.8
161.02444	100.0
162.02722	3.6
175.03989	4.1
178.02739	7.6
179.01912	2.2
179.03493	40.7
181.01437	2.6
182.02187	4.4
183.02914	2.8
193.05051	43.4
194.05379	1.2
197.59904	0.9
203.03432	3.4
213.89334	0.9
217.05162	1.6
221.40736	0.9
229.49094	1.0
298.78537	1.0
323.07690	51.2
324.08032	3.2
327.07257	2.1
341.08774	1.6
345.08258	2.8
491.12170	2.0
517.13495	42.4
518.13934	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	579.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40991	0.7
56.59652	0.8
60.56847	0.8
60.70308	1.0
61.98824	1.0
69.03452	1.8
71.01398	1.1
71.61057	0.9
74.00869	0.9
77.03974	1.1
83.01379	2.4
97.02942	1.1
98.20658	2.5
99.00890	1.1
102.26178	0.8
109.02961	1.6
110.00084	1.8
111.00832	3.1
121.02950	2.7
133.02979	1.1
137.02425	7.7
139.00342	3.1
139.04044	1.5
140.01151	0.8
141.01955	4.3
151.03949	1.2
153.01898	6.6
161.02448	2.6
165.01947	7.9
165.99054	2.6
166.02753	1.0
166.99884	1.9
177.01993	0.9
181.01396	9.1
182.02211	100.0
183.02979	95.0
184.03302	2.2
195.02917	1.9
207.02945	0.9
251.20204	1.6
277.21878	0.8
327.07123	1.6
374.32504	0.8
537.69910	0.9
579.28070	89.8
580.28278	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	579.2806
Annotation	Dracunculifoside M
Peak:m/z	Relative Intensity
50.13582	0.2
54.54401	0.2
55.67290	0.2
59.01379	1.4
61.98831	3.6
69.17856	0.4
69.18258	1.6
71.01381	1.7
72.09029	0.2
73.02936	0.5
74.02461	0.3
81.12411	0.2
81.43242	0.2
83.01389	0.4
85.02941	1.1
87.00865	0.5
88.98808	0.8
89.02465	0.6
93.03455	0.2
93.86832	0.2
95.15555	0.2
98.19855	0.4
99.00876	0.4
99.05676	0.3
101.02437	0.7
105.03453	0.5
107.05047	0.4
109.02961	0.6
111.00859	0.4
113.02460	0.6
113.03547	0.2
115.00379	0.4
117.03471	0.9
121.02937	0.3
123.04533	0.4
125.02431	0.2
128.03531	0.8
129.01910	0.6
132.02150	1.6
133.02957	30.7
134.03845	1.8
134.89430	0.4
135.04526	18.6
136.04868	0.3
137.02463	1.0
139.04030	0.3
143.04642	0.9
145.02940	0.5
147.04507	0.5
149.06076	0.9
153.01892	0.3
160.01599	0.3
161.02437	100.0
162.02765	2.4
163.04022	0.7
165.01874	0.3
167.03453	0.3
175.02560	0.3
175.04018	0.7
177.03581	0.2
179.03482	12.9
180.03839	0.3
181.01373	0.3
181.96811	0.2
182.02200	0.6
183.02937	0.6
191.03416	0.2
193.05000	0.3
203.03534	0.3
209.11806	0.7
211.13376	0.6
219.02998	1.5
249.12370	0.2
249.14934	0.3
300.02875	0.3
306.07617	0.9
327.07162	0.4
339.07129	1.7
345.08267	0.5
417.21381	0.4
519.31958	0.3
520.52838	0.3
579.28052	72.1
580.28394	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	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.5
61.98816	1.3
66.97537	0.3
70.60234	0.9
71.01377	0.3
76.93085	0.3
78.95901	21.4
79.66408	0.3
79.95752	0.4
80.96508	1.8
98.20008	0.4
122.98499	0.5
152.99582	3.3
168.04327	2.6
224.06924	8.5
225.00792	0.3
242.08038	1.8
279.23270	100.0
280.23645	5.2
354.17432	0.4
404.79803	0.4
504.30942	74.2
505.31232	4.7
578.27167	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	579.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77269	11.6
60.15895	12.5
61.98826	92.8
67.42747	13.6
78.95904	30.4
89.98843	15.5
91.01945	15.9
98.19890	32.6
111.04619	13.9
153.01930	38.4
181.01405	73.4
182.02187	94.2
183.02983	72.9
207.02960	14.0
211.13467	26.3
289.18057	20.2
300.25601	16.1
307.19171	14.9
327.07178	100.0
345.08264	28.8
466.76080	13.7
579.25604	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75508	0.3
59.01377	15.5
63.45587	0.3
63.96227	0.3
71.00153	0.6
71.01377	1.3
73.02946	0.4
78.95904	5.3
78.98585	1.0
79.95730	2.0
80.96513	14.2
82.96097	0.9
85.02937	0.5
87.00893	0.6
92.32850	0.3
94.98083	3.1
96.97630	0.3
101.02434	0.4
101.29752	0.3
106.98079	0.5
122.97572	1.2
125.02458	0.7
134.97562	0.9
148.99155	0.8
152.98602	0.8
152.99579	1.1
164.98610	2.0
165.98981	0.6
168.04250	1.6
182.99747	0.3
206.99696	0.4
207.17947	0.3
224.06851	1.0
225.00710	3.6
226.01003	0.9
227.00285	0.4
242.07941	2.7
243.01672	0.5
278.22131	0.3
279.23264	100.0
280.23605	5.6
299.04498	0.6
300.04587	0.3
504.30933	38.7
505.31186	2.7
578.27161	22.8
579.26904	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	578.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16939	0.3
52.29463	0.3
53.34377	0.2
53.63776	0.3
59.01369	0.3
60.35244	0.3
61.40754	0.3
61.98828	100.0
65.00317	0.3
67.80479	0.3
71.52469	0.3
71.52832	0.4
72.61240	0.2
82.28503	0.3
84.60655	0.3
93.03438	0.4
107.01394	0.7
109.02988	0.3
117.03452	1.1
119.05014	1.6
120.05357	0.6
125.09708	0.3
134.89503	1.4
136.08647	0.3
137.56551	0.3
145.02950	2.9
146.03244	1.1
151.00356	1.1
161.02461	0.5
162.70581	0.2
163.00427	0.4
163.03954	0.8
163.24417	0.3
164.04315	0.6
171.10262	0.3
175.54254	0.3
187.04041	1.5
187.09694	0.6
188.04298	0.3
227.03528	2.5
228.03835	1.8
229.05063	1.5
230.05409	1.5
241.04845	0.3
255.02962	3.9
256.03354	3.4
257.04401	1.1
258.04855	0.8
267.02924	0.3
271.06027	0.6
284.03247	3.5
285.03918	13.4
286.04395	11.1
287.04880	0.7
327.10730	0.3
369.79044	0.3
431.09949	0.3
515.22906	0.4
578.13776	11.2
578.27588	0.6
579.13959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87129	0.1
61.98829	100.0
62.07809	0.1
71.01408	0.3
78.95908	1.0
78.98608	0.3
79.95741	0.5
80.96513	2.1
80.96958	0.2
87.51094	0.1
94.98101	0.5
96.95993	0.7
101.02489	0.1
106.98115	0.2
108.48058	0.1
113.92619	0.2
114.00539	0.1
122.97594	0.2
148.99150	0.2
152.99648	0.3
164.98674	0.5
177.89798	0.2
178.90472	0.2
179.89383	0.1
180.96088	0.1
194.90015	0.2
196.89575	0.2
225.00725	0.8
279.23352	0.5
280.23685	0.6
281.24084	0.3
282.24466	0.2
299.04544	0.2
399.89594	0.1
503.51831	0.2
578.21655	0.3
579.19226	0.5
579.28381	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24771	0.7
57.07330	0.7
61.98831	6.2
62.05061	0.6
65.00317	0.8
71.01375	1.9
71.07953	1.5
77.03953	1.8
78.95885	0.9
78.98592	0.7
79.95723	1.1
80.96510	7.2
83.01398	2.5
93.03439	1.1
94.98058	1.6
95.01409	1.0
97.02913	0.8
99.00854	1.7
109.02962	1.1
110.00127	1.5
111.00887	3.3
121.02964	1.9
123.00931	0.8
125.02394	0.7
137.02441	8.0
139.00383	2.8
139.03998	0.9
140.01132	1.3
141.01872	4.4
148.99135	1.4
150.04424	0.6
151.03900	1.3
152.86531	0.7
153.01924	6.4
165.01929	9.1
165.99075	4.4
166.99838	2.3
181.01411	9.2
182.02206	100.0
183.02971	91.3
184.03342	2.7
194.02261	1.1
195.02985	1.8
225.00682	1.2
249.18629	1.1
327.07202	1.6
458.04733	0.9
477.75278	0.9
577.26514	89.3
578.26593	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	577.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67462	0.3
59.01373	2.0
61.98830	1.6
63.96215	0.8
70.78205	0.3
71.01011	0.5
71.01377	6.7
73.02947	1.8
78.95913	0.6
78.98586	5.5
79.95728	8.8
80.96510	61.5
83.01382	0.4
85.02943	2.5
87.00871	2.6
94.98080	15.4
95.01349	0.4
96.95985	0.6
97.02933	1.5
99.00873	0.7
101.02431	2.7
106.98086	3.3
113.02453	0.5
122.97578	5.5
125.02443	2.9
127.03997	1.0
134.97580	3.9
136.99132	0.9
146.97498	0.5
148.99117	5.2
152.98621	6.2
164.98616	9.4
167.00085	0.4
182.99641	2.1
206.99649	2.7
225.00726	16.8
243.01669	1.6
277.21741	2.6
279.23270	8.8
299.04388	2.5
378.96045	0.3
485.39832	0.4
489.71628	0.3
504.30927	3.8
577.26807	100.0
578.27136	8.1
587.68842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48166	0.6
59.01376	14.4
71.01387	1.5
73.02929	0.7
79.29382	0.5
85.02932	0.9
89.02444	2.1
93.69555	0.6
98.19937	1.5
101.02436	3.0
111.67883	0.5
113.02426	1.2
119.03459	1.1
127.57660	0.7
143.73631	0.7
145.45132	0.6
161.04518	0.8
179.05606	0.8
235.08180	1.9
253.09271	15.4
281.24835	100.0
282.25235	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	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.8
65.32578	1.0
69.03445	2.1
71.03786	0.9
71.52628	1.6
82.69067	1.1
83.01370	4.6
85.02931	1.0
99.00877	1.9
100.52499	1.1
108.61932	1.1
110.00079	1.6
111.00884	3.1
121.02971	2.3
131.40753	1.2
137.02422	6.9
139.00385	2.6
139.03975	1.5
140.01129	1.5
141.01918	4.1
151.04045	1.1
153.01950	5.8
165.01936	7.4
165.99075	3.3
166.99872	2.5
179.03481	1.1
181.01416	9.3
182.02197	100.0
183.02960	84.2
185.64067	0.9
195.03064	1.7
225.04045	1.0
327.07318	2.1
345.08136	1.4
577.22858	81.7
578.23145	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	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94335	0.1
59.01368	0.2
60.53634	0.1
61.95836	0.1
61.98824	0.4
63.02398	0.5
65.00332	0.3
65.03978	0.1
78.95893	0.3
79.01861	0.2
83.01375	0.3
91.01888	0.6
91.63142	0.1
93.03448	2.0
107.01394	1.7
108.02142	0.2
109.02965	0.9
117.03467	0.9
119.01367	0.2
119.05011	0.7
121.02900	0.2
130.04237	0.2
131.04984	0.2
133.02948	0.3
135.00877	1.4
137.02437	0.3
141.07133	0.3
143.05045	1.3
145.02960	1.4
145.06564	0.3
151.00369	0.5
152.99553	0.2
153.01920	0.5
154.04279	0.3
155.05028	0.4
156.05746	0.3
157.06575	0.8
158.03735	0.2
159.04530	1.6
161.02377	0.2
161.06172	0.2
162.54674	0.1
163.00368	2.5
163.04024	0.3
165.01950	0.6
167.04984	0.8
168.05609	0.2
169.06590	0.8
171.04538	0.9
173.02415	0.2
173.06024	0.2
181.01427	0.3
182.02281	0.2
182.03760	0.4
183.03079	0.3
183.04523	0.7
184.05296	0.3
185.06076	2.8
187.03995	3.7
189.05559	1.1
195.04495	0.6
196.05255	0.4
197.06073	1.2
198.03128	0.2
199.03961	0.9
201.05513	0.8
211.04016	2.1
212.04805	0.3
213.05557	2.2
214.02725	0.3
215.03505	0.5
223.03981	0.5
226.02873	0.2
227.03477	4.8
228.03903	0.2
229.05037	13.6
230.05367	0.3
239.03442	1.9
240.04225	0.8
241.05043	1.6
243.02888	0.4
255.00198	0.2
255.02969	5.7
256.03592	1.2
257.04541	7.1
258.04858	0.2
267.02954	1.1
280.33459	0.2
283.02451	1.5
284.03259	4.1
285.04025	100.0
286.04367	3.6
288.51794	0.1
291.08682	0.2
327.07199	0.5
413.08734	1.2
431.09790	1.0
577.13489	5.2
577.21942	0.3
578.13562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80924	0.3
54.38585	0.2
61.98824	0.2
63.02388	0.6
65.00307	0.4
71.51788	0.5
78.95882	0.3
83.01384	0.9
91.01869	0.5
93.03457	1.7
107.01384	2.1
109.02943	0.9
117.03459	1.9
119.01359	0.4
119.05019	2.8
123.00890	0.3
131.04976	0.5
135.00867	1.5
137.02402	0.3
141.01839	0.3
143.05025	1.3
145.02937	4.1
150.03227	0.5
151.00339	1.1
153.01945	0.5
155.05046	0.4
157.06554	1.1
158.03680	0.3
159.04494	1.5
161.02452	0.3
163.00363	2.5
163.03995	1.3
164.01089	0.3
165.01944	0.6
167.04939	0.5
169.06544	0.7
171.04439	0.5
173.05977	0.6
179.03465	0.7
182.02151	0.3
182.03661	0.4
183.04492	0.7
185.06056	2.9
187.03995	3.8
189.05594	1.2
195.04514	0.5
196.05249	0.3
197.06120	1.4
199.03993	0.9
201.05609	0.7
205.05130	0.5
207.02911	0.6
211.03944	1.7
212.04642	0.4
213.05568	2.0
214.02559	0.3
215.03423	0.3
216.59329	0.2
217.05104	0.2
223.04106	0.4
226.08540	0.2
227.03482	8.2
229.05026	12.5
229.40184	0.3
230.05446	0.6
239.03464	1.7
240.04192	1.1
241.04970	1.9
243.02968	0.4
255.02959	10.0
256.03647	1.8
257.04526	6.9
258.04834	0.5
267.02969	0.9
283.02457	1.5
284.03250	9.9
285.04010	100.0
286.04367	4.4
291.08759	1.2
371.14890	0.3
397.16302	0.5
399.14255	0.3
413.08566	1.7
414.16754	0.9
415.17560	1.0
431.09680	1.0
577.13428	16.8
577.22888	7.7
578.13666	1.6
578.22400	0.4
602.31464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.85692	0.3
61.98827	8.2
63.02389	1.0
63.56292	0.3
65.00320	0.8
70.53785	1.0
71.45737	0.3
78.95895	0.5
83.01377	0.8
91.01894	0.5
93.02937	0.4
93.03432	2.0
95.01423	0.3
101.02441	0.4
107.01385	3.1
109.02941	1.0
117.03465	5.1
119.04252	0.7
119.05027	7.1
121.02953	0.6
123.04534	0.6
125.02452	0.7
125.09692	1.7
127.07469	0.3
132.90102	0.4
133.02936	0.4
134.87132	0.3
135.00867	1.1
135.04610	0.5
143.04962	1.2
145.02942	14.7
145.06696	0.4
146.03232	0.5
151.00368	3.3
152.99565	0.5
153.01926	0.7
154.04266	0.4
157.06589	1.1
157.48251	0.4
159.04471	1.9
161.02412	1.2
163.00374	2.9
163.03973	5.1
164.01131	0.4
165.01892	0.7
167.05048	0.8
169.06583	0.9
171.04526	0.8
171.10249	0.8
173.06064	0.6
183.04492	0.7
185.06067	3.3
187.03999	3.7
187.09697	0.8
189.05539	1.5
195.04372	0.6
196.05112	0.4
197.06091	0.9
199.03925	1.0
201.05551	0.8
209.11871	0.4
211.04031	2.3
213.05542	2.2
227.03490	17.0
228.03934	0.9
229.05028	13.2
230.05473	0.5
230.14203	0.3
239.03549	1.8
240.04190	1.0
241.05032	1.9
255.02969	31.1
256.03687	3.5
257.04565	8.9
262.08481	0.4
263.09171	0.8
267.02887	0.9
283.02396	0.8
284.03250	33.0
285.04013	100.0
286.04379	3.6
291.08722	3.3
413.08667	1.6
423.18997	0.4
425.14529	1.2
431.09875	1.3
577.13440	55.6
577.28076	3.0
578.13794	5.0
602.65063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.5
66.88370	0.7
69.79209	4.2
69.79612	1.3
81.03465	1.8
83.01385	4.4
95.01387	1.3
95.05023	2.5
97.02958	3.1
101.25619	0.8
105.03472	0.9
107.05050	1.3
108.02192	1.1
109.02953	18.6
121.02931	3.4
123.04523	13.2
125.02448	100.0
126.02805	2.3
133.02957	3.5
135.04543	3.1
137.02438	19.0
139.04013	3.7
145.03044	0.9
146.03702	1.2
147.04478	1.1
149.02425	5.9
150.03351	1.2
151.04007	12.7
158.03641	0.8
159.04477	3.1
161.02440	27.8
161.06075	3.9
162.03233	2.3
163.00363	1.6
163.04024	3.5
164.01187	4.0
165.01942	4.4
167.03513	1.2
175.04024	10.7
175.07687	2.1
177.01935	7.9
177.05600	1.5
179.03513	3.9
185.06163	1.6
187.04019	6.4
188.04758	3.1
189.05521	1.4
201.05533	2.2
202.06320	1.5
203.03415	1.9
203.07146	8.5
205.01437	2.8
205.05067	7.1
215.03467	1.6
217.05090	1.4
221.08142	1.4
227.03491	1.7
227.07103	1.2
229.05090	2.3
230.05692	1.3
243.03000	2.4
243.06578	1.1
245.04507	5.4
245.08167	12.9
247.06090	1.7
253.05107	1.0
255.02994	7.9
256.03741	4.8
257.04547	3.1
269.04556	1.9
271.06100	1.3
273.04022	3.0
281.04602	3.6
283.02496	1.3
285.03998	3.5
287.05637	12.2
289.07162	59.5
290.07452	2.1
299.05524	6.2
315.08484	1.0
329.06631	2.2
339.08624	4.6
373.07495	1.0
381.09518	2.2
385.07797	0.9
400.33728	0.9
407.07675	59.7
408.08047	4.4
409.27216	0.9
425.08740	25.9
425.14520	1.3
426.08884	1.9
451.10385	12.9
533.58783	1.0
559.12939	1.3
577.13483	8.9
598.42902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1348
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
57.03445	14.1
59.01404	0.5
59.82351	0.5
65.03954	0.6
69.03436	0.9
69.27373	4.4
81.03446	1.4
82.89085	0.5
83.01385	3.7
87.95753	0.5
93.03439	1.0
93.86633	0.5
95.01351	0.7
95.05018	1.3
97.02953	4.1
105.03501	0.7
107.05034	0.9
108.02173	0.8
109.02948	15.8
117.03489	0.8
121.02962	2.9
122.03680	1.2
123.04516	9.6
125.02442	100.0
126.02786	1.7
133.02959	2.6
135.04520	1.8
137.02440	21.6
139.03990	1.7
140.72728	0.5
143.05043	0.7
145.02960	0.6
146.03731	0.6
149.02441	3.9
150.03230	1.0
151.04015	9.2
159.04489	2.6
160.05309	0.6
161.02437	24.6
161.06070	3.2
162.03195	2.0
163.00365	1.0
163.04044	2.9
164.01158	4.2
165.01932	4.6
167.03481	1.2
173.06026	0.8
175.03967	6.5
175.07651	1.3
177.01920	4.4
177.05510	0.9
179.03479	4.0
185.06009	0.6
187.03929	5.7
188.04703	2.5
201.05588	1.2
202.06393	1.4
203.03441	1.3
203.07118	8.2
205.01357	1.5
205.05060	6.5
212.04860	0.6
213.05705	0.9
215.03502	0.9
217.05060	1.4
221.08160	1.4
227.03551	0.8
227.07129	1.5
228.04356	0.7
229.05037	2.7
230.05946	0.7
231.03004	0.8
231.06514	0.7
243.02974	2.3
243.06552	1.0
245.04588	3.2
245.08168	11.7
246.08745	0.7
247.06195	1.0
253.04994	0.8
255.02986	4.6
256.03778	2.4
257.04321	1.3
269.04565	1.1
271.06067	1.0
273.04041	4.9
281.04657	2.1
283.02563	0.8
285.04059	1.8
287.05646	7.6
289.07166	55.9
290.07501	2.8
297.03943	0.6
297.07596	0.5
299.05600	5.3
329.06750	1.5
339.08789	2.4
381.09647	0.7
407.07684	38.2
408.08139	1.6
419.91656	0.5
425.08722	19.3
426.09186	1.0
451.10229	9.6
452.10922	0.7
559.12567	1.3
577.13434	8.8
578.14032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.2
67.01880	0.8
69.87151	3.6
77.16302	0.8
81.03444	1.2
83.01373	3.6
92.30371	0.7
93.03464	1.9
95.01344	0.8
95.05048	2.1
97.02953	4.7
98.19994	1.4
105.03496	0.8
107.05020	1.4
109.02946	15.8
116.98407	0.8
117.03424	1.1
121.02946	3.2
122.03722	1.6
122.97907	0.7
123.04520	14.1
125.02443	100.0
133.02980	3.8
135.04529	1.9
137.02441	18.6
138.03249	1.1
139.03976	3.1
139.75615	0.8
145.02919	0.8
147.04485	1.2
149.02444	6.7
150.03185	0.8
151.04005	11.5
159.04518	2.6
160.05379	0.9
161.01128	1.5
161.02435	25.7
161.06050	4.9
162.03229	1.8
163.00305	1.9
163.04013	3.9
164.01181	4.3
165.01880	4.2
167.03375	1.6
173.06123	1.2
175.03989	10.9
175.07561	1.3
177.01929	5.4
177.05399	1.2
179.03519	5.6
187.03979	6.8
188.04788	3.9
193.05038	1.4
199.03931	1.1
201.05476	1.7
203.03575	1.5
203.07127	11.9
205.01395	2.2
205.05084	8.8
213.05466	1.4
214.02681	0.9
215.03445	2.2
217.05034	1.0
217.08574	0.9
221.08162	1.8
227.03456	1.7
227.07076	2.0
228.04208	1.2
229.05003	2.6
230.05707	0.9
231.02866	1.3
243.02930	2.5
245.04524	5.3
245.08182	14.9
247.06226	1.9
255.02968	8.2
256.03641	6.2
257.04474	2.2
269.04520	2.1
271.05969	0.8
273.04001	3.5
281.04523	4.5
283.02582	1.7
285.04114	4.2
287.05557	9.5
289.07159	65.0
290.07489	3.1
297.03769	1.4
299.05573	7.3
329.06647	1.2
339.08801	4.5
372.81146	1.0
381.09848	3.2
389.06519	0.9
407.07681	59.3
408.08020	3.1
425.08743	22.6
426.09058	1.3
433.09070	1.2
451.10394	14.9
452.10443	0.9
559.12036	1.6
577.13538	10.0
578.13293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.0
57.82935	0.7
69.03455	0.7
71.01354	0.7
71.51860	0.8
81.03452	2.4
83.01373	6.2
88.98803	0.7
90.16190	0.6
93.03465	1.8
95.01348	0.7
95.05018	2.5
96.96039	0.8
97.02941	3.6
105.01936	1.8
105.03492	1.0
107.05009	1.6
108.02178	1.5
109.02944	18.7
113.44652	0.6
117.03484	0.9
118.16811	0.6
121.02967	3.5
122.03720	1.1
123.04512	14.7
124.01665	0.8
125.02438	100.0
126.02760	1.6
131.05028	1.0
133.02957	4.2
135.04520	2.4
137.02440	22.3
138.03191	2.4
139.04010	2.9
145.02969	2.3
146.03752	1.2
147.04510	0.8
149.02438	5.8
150.03192	1.3
151.03979	12.8
151.05109	1.0
153.01875	0.8
159.04500	2.8
160.05223	0.9
161.02432	27.1
161.06029	4.4
162.03177	2.5
163.00375	2.5
163.04039	3.5
164.01160	4.0
165.01906	5.5
167.03479	2.9
170.02087	0.9
173.06097	1.3
174.03163	1.0
175.03981	10.4
175.07610	1.6
177.01894	5.8
177.05559	2.1
178.02606	1.0
179.03525	3.2
185.06094	1.3
187.03986	7.7
188.04764	3.3
189.05492	0.9
193.05115	1.6
194.02133	2.4
199.04042	0.8
201.05583	2.6
202.06340	1.1
203.03474	1.7
203.07111	9.2
205.01421	2.1
205.05020	7.4
209.06097	0.7
211.04016	1.2
212.04762	0.9
213.05620	1.4
215.03455	1.7
217.05023	1.9
221.08151	2.0
222.01698	1.3
223.02403	1.7
227.03552	1.6
227.07112	2.2
229.04948	3.5
230.05737	0.9
231.02748	1.2
242.05750	0.7
243.02953	1.6
243.06599	1.0
245.04626	4.4
245.08153	12.2
246.08591	1.1
247.06088	2.4
253.05261	1.0
255.02966	9.0
256.03641	4.2
257.04404	2.0
269.04504	2.2
271.06046	1.3
273.04031	5.6
281.04523	4.5
282.01645	0.9
283.02332	1.7
284.03171	0.9
285.04001	2.5
287.05560	9.3
289.07153	59.8
290.07480	3.0
297.04214	1.3
299.05594	5.9
329.06595	1.6
339.08670	3.3
357.08081	1.6
381.09723	2.4
385.07675	2.9
401.07022	5.1
407.07666	61.7
408.08023	3.0
425.08740	24.8
426.08838	1.2
451.10367	14.9
559.12708	0.9
577.13068	8.2
578.14075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71635	0.3
59.01363	0.6
60.99302	17.0
61.98838	0.5
69.40380	1.0
69.40797	1.6
71.01358	0.6
77.20065	0.3
88.98803	100.0
89.99149	0.5
96.95959	0.5
101.02428	0.4
117.03471	0.8
119.05035	4.1
120.69550	0.4
125.02476	0.4
133.02959	5.3
134.03697	0.7
135.04523	20.9
136.04893	0.6
137.66020	0.4
138.96217	0.3
145.02963	4.9
148.90921	0.4
159.04488	0.6
161.02437	25.2
162.02783	0.9
163.02730	0.7
163.03995	5.5
177.05602	0.5
179.03488	34.6
180.03864	1.0
187.03998	2.2
195.55748	0.4
203.03537	0.5
205.04996	0.5
306.07333	0.5
307.08325	1.2
323.07654	2.6
325.09528	0.9
341.08734	1.1
424.27750	0.4
487.12427	43.1
488.12640	3.0
577.37274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.8
61.98822	0.2
71.01363	0.2
71.36150	0.3
78.95896	7.3
83.05007	0.2
96.96977	0.2
101.13044	0.2
111.82219	0.2
113.80823	0.2
128.57094	0.1
140.75754	0.2
152.99559	1.4
168.04279	1.8
224.07005	0.9
233.22708	0.6
242.07953	2.8
249.37177	0.2
259.20676	0.3
268.78937	0.2
275.20145	0.5
277.21683	100.0
278.22049	3.9
380.93228	0.2
475.66742	0.2
502.29352	42.1
503.29880	2.3
520.04523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
60.31620	2.5
61.98803	2.7
70.10622	2.0
79.95725	2.7
88.33927	2.5
96.96004	89.1
98.20670	7.7
98.95579	67.8
98.96404	13.0
99.92578	49.2
107.01404	2.5
110.52863	2.2
114.25151	2.4
115.92068	29.9
116.92857	28.6
123.91048	2.4
125.02438	7.2
141.93602	2.6
142.94366	2.8
145.02975	3.1
151.00368	4.6
161.00345	2.2
175.02412	3.0
178.99820	3.5
180.17125	2.2
194.40747	2.5
208.14053	2.3
215.95206	6.3
226.02719	5.9
229.97180	3.3
230.97357	3.3
231.19836	2.5
257.94672	8.4
271.02405	5.7
279.02942	3.1
280.95602	3.3
284.95056	2.7
289.07162	2.7
295.02298	4.0
298.96664	2.8
300.02643	3.1
301.03375	4.2
305.14011	2.5
308.94675	3.7
310.96350	3.7
312.94412	6.6
323.01801	3.9
324.94147	3.6
325.95108	7.8
326.95865	10.1
336.94241	3.5
340.94055	5.5
353.94693	10.1
354.95468	56.6
355.96100	2.9
362.95935	3.9
365.94418	3.0
367.96246	5.0
368.97491	2.4
377.94592	4.9
378.95468	3.1
379.96271	8.1
380.97083	15.2
381.93851	5.2
381.98267	3.6
382.94922	100.0
383.95389	9.2
391.96100	6.3
392.97073	17.2
394.94879	8.6
395.95700	41.4
396.96582	12.8
406.94907	6.0
408.96582	12.4
409.97415	12.1
410.98120	94.4
411.98212	6.1
423.95169	9.3
424.95825	4.8
442.96411	3.1
450.97592	8.2
452.95197	2.8
468.98730	25.1
469.99072	3.5
477.06754	4.4
496.97998	8.5
497.98984	6.9
514.98944	8.9
521.90454	2.5
528.97198	3.0
540.97369	5.8
577.19464	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68923	0.1
56.82942	0.1
59.01360	0.2
61.98827	100.0
67.21448	0.1
71.51569	0.2
79.95763	0.1
80.96503	0.7
87.34583	0.1
94.98064	0.2
104.48016	0.1
117.59729	0.1
276.11737	0.1
277.21823	0.2
278.22156	0.4
279.22430	0.3
280.22296	0.1
541.98236	0.1
555.61279	0.1
577.27087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.1
61.98821	1.0
66.69026	0.3
70.66407	0.9
70.66763	0.7
71.01334	0.3
78.95900	25.6
90.64259	0.4
122.98472	0.5
152.99570	4.2
155.31366	0.4
168.04291	3.4
224.06917	9.9
233.22627	0.8
242.07990	2.5
259.20822	0.5
272.84967	0.4
277.21698	100.0
278.22076	5.3
279.08832	0.4
348.57089	0.4
502.29367	93.0
503.29712	5.5
507.70685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
58.00619	0.3
58.17033	0.3
59.01377	14.1
61.98815	0.9
66.58883	0.2
69.46098	0.4
69.46423	1.8
71.01377	2.5
73.02944	0.5
83.01385	0.7
85.02956	0.6
87.00857	0.3
89.02441	2.4
101.02431	2.5
113.02448	1.2
119.03486	0.5
133.05029	0.3
143.03444	0.4
157.05019	0.3
161.04559	1.1
183.47432	0.2
234.38887	0.2
235.08212	1.7
241.04482	0.3
243.24500	0.2
253.09271	14.7
261.22357	0.3
279.23267	100.0
280.23627	4.8
281.24716	0.3
293.81650	0.3
330.71042	0.3
354.93951	0.3
406.52136	0.2
406.65527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46146	0.2
61.98827	100.0
69.16198	0.7
69.16616	1.1
71.01386	0.5
73.02973	0.3
78.98599	0.5
79.95731	0.4
80.96040	0.3
80.96513	3.8
94.13501	0.2
94.98047	1.1
102.20207	0.2
122.97623	0.3
134.97583	0.4
148.99185	0.2
152.98692	0.4
164.98634	0.7
165.25023	0.2
225.00719	1.2
277.21640	0.3
278.22037	0.6
279.22433	0.4
427.09167	0.2
577.26807	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	575.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36658	0.2
59.01365	0.2
59.42765	0.1
61.00904	0.1
67.35564	0.2
71.52953	0.3
79.95733	2.7
96.63396	0.2
96.96006	100.0
97.93097	0.2
97.95964	0.3
107.01376	0.3
121.02937	0.2
133.43344	0.2
148.32674	0.2
151.00351	1.5
178.99855	0.6
219.70810	0.2
249.76842	0.2
255.02972	0.2
257.09967	0.2
301.03516	4.3
302.03931	0.5
311.41925	0.2
380.95575	0.3
393.96445	0.2
477.06668	4.1
477.17343	0.2
478.07175	0.3
480.42255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98224	1.4
59.01382	13.0
61.98815	3.8
68.52705	1.2
70.26728	1.6
70.98716	2.6
71.01376	3.1
89.02436	2.7
101.02445	3.8
108.02182	3.8
152.01137	1.8
153.01918	2.2
214.55351	1.4
221.08936	1.3
234.03043	1.4
244.35728	1.4
253.09225	11.6
279.23273	100.0
280.01843	1.6
280.23669	4.5
316.51010	1.3
360.72800	1.3
386.03094	1.5
575.28314	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	573.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.7
61.98831	2.3
69.66566	2.4
70.11783	0.5
71.01405	1.1
80.91688	0.7
83.01421	0.9
87.00960	0.6
89.02443	0.5
113.02475	0.6
125.02460	0.6
125.09827	0.5
128.03545	0.5
133.02936	0.7
143.04672	0.6
145.02950	0.8
152.69247	0.5
153.01988	2.0
157.12401	0.6
161.02448	1.1
165.01950	1.1
167.03400	0.9
181.01494	2.1
182.02228	4.3
183.02953	5.0
185.11810	0.9
235.02368	0.7
277.21640	0.6
285.04099	0.9
327.07111	2.3
329.23175	0.8
345.08234	3.6
351.21799	1.4
357.26404	1.3
367.06177	0.5
373.25925	15.1
374.26144	1.5
375.27472	100.0
376.27847	5.2
433.24524	0.5
491.12228	0.5
572.98792	0.7
573.21356	1.4
573.30176	24.2
574.30432	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	574.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.69677	0.8
71.53030	0.9
76.00157	0.8
80.91694	2.0
82.95427	6.7
83.01402	2.4
83.26290	0.6
89.02429	0.7
91.79758	0.7
91.80495	0.7
96.96012	1.5
101.02423	0.7
102.05582	7.2
123.50875	0.8
128.03529	7.2
137.02480	5.0
146.04597	14.5
153.01898	2.2
165.01918	8.1
166.02650	2.5
167.03416	1.0
179.03481	6.5
181.01462	2.5
182.02213	19.3
183.02959	14.9
183.13309	0.8
184.03383	1.1
191.42865	0.7
193.05035	4.4
195.02939	1.4
207.02992	10.0
207.06618	4.4
208.03384	0.7
219.10336	1.3
221.04538	2.9
221.08246	1.3
235.06154	6.6
237.11279	14.9
238.11665	1.3
240.09790	0.9
247.09874	1.1
253.59390	0.7
263.09283	1.7
264.10004	49.9
265.10730	25.7
266.11133	1.6
277.10828	1.9
283.72562	0.6
304.44330	0.8
345.08234	24.8
346.08600	2.8
373.26059	0.9
374.26245	1.7
386.54517	0.7
427.16049	100.0
428.16510	10.2
443.15482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06032	0.2
54.22501	0.3
57.03443	0.2
59.01371	0.5
60.04945	0.2
61.98825	100.0
70.43207	1.0
76.59796	0.3
83.01382	0.5
87.04503	0.3
96.95990	1.3
98.20026	0.3
99.00906	0.3
126.90464	0.5
141.01805	0.3
143.04549	0.3
153.01933	0.4
161.02393	0.5
165.01865	0.6
180.52898	0.3
181.01393	0.4
182.02173	4.6
183.02943	4.8
184.03371	1.5
211.13260	0.3
215.16605	0.3
313.23575	0.3
345.08810	0.3
351.21622	0.4
528.18201	0.9
554.19647	1.8
555.20892	0.5
572.20862	2.7
572.27094	0.4
572.29059	0.6
573.20978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01369	1.6
59.01680	0.4
61.98830	1.2
69.03453	1.8
69.27763	1.1
69.28172	2.9
71.01382	1.6
77.03970	0.8
83.01376	3.3
85.02934	0.5
87.00871	0.5
89.02444	0.5
93.03458	0.8
95.01395	1.0
95.05028	0.5
96.95997	3.1
97.02954	2.4
99.00869	2.7
99.04516	0.5
101.02410	0.6
107.51711	0.4
109.02951	1.3
110.00091	1.1
111.00880	2.7
113.02446	1.1
121.02960	3.0
123.00917	0.6
123.04501	0.8
125.02438	1.1
125.95618	0.4
127.03995	0.6
135.04501	0.5
137.02449	8.0
138.34248	0.5
139.00375	4.0
139.04004	1.4
140.01132	1.6
141.01941	5.9
145.02960	0.5
151.04004	1.4
153.01930	8.1
155.03485	0.8
161.02423	1.1
163.03928	0.7
165.01921	10.0
165.99040	3.1
166.02629	1.3
166.99844	1.9
167.03493	2.7
172.63701	0.5
177.01917	0.9
177.05547	0.5
178.02905	0.4
179.03493	0.8
181.01430	9.7
181.04951	0.7
182.02197	100.0
183.02968	98.6
184.03386	2.7
194.02162	1.3
195.02975	6.4
201.11331	1.9
207.02974	1.2
209.04492	1.7
209.11792	1.9
210.05287	0.8
219.02917	0.6
225.03958	0.7
229.15637	0.5
237.04054	1.2
238.04829	3.1
283.11789	0.5
327.07285	2.2
345.08118	3.7
410.15579	0.8
411.16373	1.0
457.17508	0.5
491.12192	0.9
529.19202	20.2
530.19336	1.1
531.20380	0.5
555.20758	29.1
556.21167	1.7
557.17596	0.6
573.21820	82.6
574.22125	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	572.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98843	0.9
66.73756	0.4
69.44376	2.2
69.44791	1.1
83.01368	2.5
85.02928	1.0
99.00922	0.4
101.02469	0.4
102.05605	8.0
119.05002	0.9
121.02938	0.7
124.01676	1.0
125.02399	0.6
128.03539	6.0
135.04562	0.5
137.02475	1.3
138.03236	1.3
139.00267	0.5
141.01968	1.2
145.06136	0.5
146.04594	12.4
150.03198	0.9
152.01096	1.1
153.01921	1.5
162.01352	0.4
163.03993	4.7
164.04703	0.5
165.01930	6.7
166.02676	2.6
166.99870	0.5
170.02304	0.5
177.05528	1.7
178.02716	0.8
179.03477	1.8
181.01398	1.3
182.02200	20.6
183.02971	22.0
184.03305	1.2
187.03955	0.6
191.03476	4.1
191.07092	0.6
192.04111	1.3
194.02121	0.7
195.03029	0.9
205.03319	0.8
205.05066	11.0
206.05321	0.7
206.09471	2.6
207.02991	3.1
215.03456	0.7
217.08699	1.3
219.03105	0.5
219.06566	1.2
219.10179	1.1
229.05070	0.9
233.04530	22.5
233.08243	1.7
234.04880	1.7
234.08984	2.5
235.09721	13.4
236.10110	1.3
245.08163	0.5
261.07648	1.2
262.08447	49.1
263.09134	20.7
264.09500	1.8
275.09198	0.5
287.09265	0.6
317.46390	0.5
327.07150	0.6
345.08243	27.7
346.08688	3.8
347.08713	1.0
407.13614	0.5
425.14505	100.0
426.14865	14.9
447.53915	0.5
483.56232	0.5
509.12381	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.2
59.01381	0.5
60.30795	0.2
61.98827	100.0
69.11928	0.3
71.01386	0.5
78.69135	0.3
79.95753	0.2
83.02064	0.2
93.03510	0.3
96.96014	1.7
97.02943	0.3
110.31948	0.2
118.57188	0.3
126.35102	0.2
128.03587	0.5
137.02446	0.5
141.01973	0.5
143.04680	0.4
161.02481	0.3
165.01930	0.6
167.03413	0.3
171.10306	0.3
174.08873	0.2
181.01457	0.6
182.02196	3.6
183.02934	4.1
184.03352	1.4
195.90645	0.3
211.13390	0.4
306.07666	0.3
345.08176	0.3
458.53278	0.3
528.18323	0.8
554.19415	1.5
555.20929	0.5
572.20477	2.8
572.28204	0.3
573.20337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58570	1.2
57.33294	1.0
59.01373	3.0
61.98828	34.3
65.00301	1.5
69.03448	1.0
71.01405	1.6
71.29176	2.2
81.87875	1.1
83.01376	2.3
85.02904	1.6
88.98802	1.4
95.01392	1.6
97.02888	1.5
99.00870	1.5
109.02929	1.9
109.56305	1.1
111.00888	1.9
119.05032	2.2
121.02949	32.2
137.02466	5.4
139.00342	1.8
141.01900	3.4
151.03964	1.2
153.01920	18.2
154.81429	1.0
160.39604	1.1
161.02538	1.2
161.47411	1.1
165.01889	7.6
165.99020	1.7
167.03487	1.9
177.01894	1.4
179.03429	1.1
180.99789	1.5
181.01422	37.1
181.04933	5.2
182.02194	77.2
183.02963	90.4
184.03242	2.2
195.02946	3.6
207.02884	2.2
225.03865	1.3
237.09505	1.3
308.63245	1.2
327.07190	51.3
345.08231	100.0
346.08545	3.7
381.93753	1.2
387.09262	36.0
388.09427	1.9
456.36224	1.2
491.11853	5.0
509.12970	19.9
525.62042	1.0
532.53766	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	571.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06156	0.4
63.92097	0.4
64.80465	0.4
67.01886	0.4
68.99807	0.8
69.03448	1.3
69.44556	2.5
71.01365	0.8
77.03967	1.4
81.03460	0.9
83.01374	2.3
85.02930	0.5
93.03463	0.8
95.01390	1.1
95.05045	0.5
97.02952	1.6
99.00877	1.6
108.02164	0.5
109.02963	0.9
110.00095	1.7
111.00902	3.9
111.04510	0.7
113.02435	0.5
121.02952	2.7
123.00880	0.6
123.04505	0.5
125.02429	0.7
136.98816	0.6
137.02437	7.4
139.00351	3.7
139.04015	1.4
140.01143	0.9
141.01932	4.3
151.03984	0.9
153.01938	6.2
164.01045	0.4
165.01921	9.7
165.99062	3.6
166.02618	1.0
166.99843	1.8
167.03430	0.5
175.39641	0.4
177.02002	0.4
179.03438	0.4
181.01425	10.6
182.02203	100.0
183.02968	89.2
184.03320	1.7
186.01668	0.4
194.02196	1.1
195.02950	1.3
204.80418	0.4
207.02931	0.6
211.13367	1.8
219.02864	0.5
225.04004	0.6
327.07263	1.8
345.08160	0.7
461.45108	0.4
480.42462	0.4
539.21313	26.9
540.21790	2.5
553.22772	0.5
559.05042	0.4
571.23926	58.7
572.24146	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	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27209	0.4
52.91515	0.4
59.01391	1.0
60.50558	0.4
61.98861	1.5
70.01538	1.9
70.70454	0.4
71.01399	0.6
74.12003	0.4
78.89217	0.4
95.01438	0.5
96.96014	3.0
97.06671	0.4
98.95621	3.0
98.96280	0.5
99.00910	0.6
99.92606	0.6
115.92094	0.6
116.92857	2.0
119.05077	0.6
139.11365	0.6
141.01968	0.5
145.02979	1.0
146.19150	0.4
146.96097	0.5
153.02019	1.2
157.12347	0.7
162.13492	0.4
163.04108	0.5
165.01842	0.7
169.12433	0.4
176.27202	0.5
181.01436	1.3
182.02194	4.2
183.02953	3.0
185.11818	1.6
187.67383	0.4
197.02324	0.5
209.11928	0.5
215.12837	3.4
227.58136	0.4
237.04170	0.6
243.15514	0.5
244.95581	0.5
267.40820	0.4
272.00064	0.4
273.07730	0.5
300.68420	0.5
307.08344	0.5
325.24197	0.6
327.07202	1.0
343.24927	3.2
345.08224	2.4
346.08545	1.3
355.24899	1.6
371.24374	6.7
372.24911	1.0
373.25906	100.0
374.26257	6.2
407.00604	0.6
508.11795	2.7
571.04987	0.7
571.20227	2.8
571.28741	17.8
572.20917	0.9
572.29132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.98838	2.3
65.37348	0.5
69.18501	2.5
69.18922	1.6
72.99326	0.6
73.02932	1.0
78.95869	0.7
80.89861	0.4
83.01374	0.9
85.02915	0.5
87.00845	0.5
88.98815	0.5
96.96004	5.8
98.20665	0.9
98.95596	5.3
98.96410	0.7
99.92600	0.5
100.02479	0.4
101.02421	0.8
116.92868	2.6
119.04958	0.6
120.74528	0.4
121.02928	0.6
125.09729	0.5
128.03481	0.9
129.16068	0.5
137.02359	0.6
141.01932	0.8
143.04649	0.6
145.02922	1.0
153.01895	1.6
161.02432	1.2
163.04005	0.7
167.03561	0.7
171.10275	0.7
175.02460	0.6
181.01398	1.7
182.02188	5.4
183.02945	6.3
184.03349	0.9
185.11797	1.8
215.12891	3.1
237.04028	1.0
273.07861	0.7
306.07581	1.0
307.07950	0.6
325.24124	0.5
327.07178	1.2
343.24881	3.5
345.08224	4.0
346.08466	2.1
355.25067	2.0
371.24301	7.8
372.24738	0.9
373.25897	100.0
374.26297	6.4
408.14557	0.7
425.14868	0.5
461.97806	0.4
508.11624	3.6
509.12189	1.2
571.20154	4.0
571.28754	17.8
572.29053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42623	0.6
54.24134	0.6
56.43171	0.7
57.03427	0.6
59.01366	1.4
60.11013	0.7
61.98820	1.0
61.99781	0.6
66.48640	0.6
71.07638	1.1
71.07963	0.8
75.80509	0.6
83.01383	2.6
85.02957	0.7
86.07869	0.6
109.04052	0.8
123.00874	1.0
125.03625	0.6
127.05137	2.6
135.81758	0.6
137.02405	1.9
138.03217	1.2
143.05077	0.9
145.06184	6.3
152.01129	0.9
153.01964	1.0
161.02484	0.7
163.03990	3.8
165.01952	4.6
166.02676	2.4
177.05583	2.0
177.09209	0.9
178.02623	0.9
179.03439	1.1
181.01395	1.9
182.02219	14.0
183.02980	14.8
187.03906	1.0
191.03506	5.2
191.07196	1.1
192.04236	1.0
194.64859	0.7
205.05052	11.4
206.09471	2.4
207.03090	3.7
207.04779	1.0
217.08684	1.1
219.06596	1.9
233.04538	22.7
233.08076	1.1
234.01479	1.2
234.08957	2.1
235.02370	1.3
235.09703	12.6
245.08125	0.8
245.93008	0.7
247.09781	0.7
261.07773	0.7
262.08441	46.9
263.09180	17.8
327.07205	0.9
345.08261	16.6
346.08615	1.2
397.07892	0.9
398.07993	1.2
404.61282	0.7
425.14508	100.0
426.14865	5.6
486.31085	0.7
565.77875	0.8
571.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70474	0.7
52.17461	0.8
57.03444	1.5
59.01373	10.4
61.98827	11.5
69.03454	0.9
69.43463	5.3
71.01379	2.1
72.99301	1.4
75.00846	0.9
77.03990	0.9
81.68615	0.7
83.01383	6.5
85.02948	1.8
87.00862	0.7
88.98821	1.4
89.02451	1.4
95.01383	1.1
95.05029	1.4
97.02929	1.2
98.19904	1.5
99.00857	2.6
104.09103	0.8
109.02944	4.0
111.00851	3.9
113.02422	1.2
114.09337	0.7
119.05051	1.2
121.02913	2.2
123.00864	1.1
123.04488	0.8
125.02412	1.4
128.03513	2.4
135.04488	0.9
136.98820	2.2
137.02432	5.0
139.00363	2.5
139.04005	1.3
139.11281	11.1
141.01955	6.4
143.04570	2.5
145.02919	2.4
151.00388	0.9
151.04018	1.1
151.43207	0.8
152.03461	0.9
153.01923	32.2
154.02602	0.8
161.02428	1.8
161.56778	0.8
163.04056	1.2
165.01921	7.7
165.99088	0.8
166.02628	1.4
166.99866	0.9
167.03452	2.7
179.03456	1.3
181.01414	42.3
181.12314	6.4
182.02194	60.3
183.02966	66.2
183.10229	10.1
184.03291	2.1
186.01672	1.2
193.05023	0.8
195.02985	2.8
199.13509	1.8
207.03047	3.6
207.10197	1.0
209.04512	2.4
219.02995	1.0
225.04018	1.3
225.11310	2.4
237.03955	5.1
243.12350	20.1
244.12654	1.0
249.04018	1.0
254.07800	1.0
258.40216	0.7
285.06290	1.0
306.07651	2.5
307.08160	0.9
327.07172	53.9
328.07535	2.2
345.08221	18.8
346.08658	2.1
363.05289	0.8
371.24500	7.2
372.24649	1.2
373.25580	2.4
376.15039	1.1
408.14322	1.6
409.14984	1.5
529.19263	1.2
539.21173	1.7
553.19171	1.2
571.20215	100.0
572.20709	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	571.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47252	0.5
56.84489	0.5
59.01372	2.0
61.98827	4.7
62.25491	0.5
67.32737	0.5
69.03465	0.9
69.46230	0.9
69.46636	3.3
71.01378	1.2
78.95916	1.1
79.08898	0.7
83.01386	2.7
88.81387	0.7
88.98805	1.4
99.00919	0.6
102.05579	1.7
116.48542	0.6
119.05042	1.0
121.02931	0.9
127.05089	0.9
128.03522	1.9
137.02399	2.2
138.03241	1.1
139.00380	1.1
139.04045	1.2
141.01938	1.8
145.06151	4.2
146.04599	3.6
150.03191	0.7
152.01094	1.0
153.01904	1.9
154.02243	1.0
161.02408	0.8
163.04022	4.4
165.01901	6.9
166.02612	2.1
166.67358	0.6
177.05569	1.5
178.02647	1.3
179.03497	2.0
181.01414	2.7
182.02188	29.9
182.73009	0.7
183.02965	26.2
184.03334	1.8
191.03540	4.5
191.07138	1.2
194.02092	1.0
195.03009	1.7
197.01517	0.6
205.05022	11.5
206.09438	2.8
207.03027	3.4
207.04770	1.1
217.08704	0.7
219.06598	1.1
219.10103	0.7
233.04529	25.7
233.08214	2.0
234.08922	2.5
235.02444	0.7
235.09732	14.6
236.03009	0.7
245.08087	1.0
261.07623	1.0
262.08423	44.8
263.09201	18.0
275.09204	0.8
287.09100	0.7
327.07309	1.9
328.07568	1.4
329.10110	0.7
345.08234	38.7
346.08569	5.2
398.08289	1.1
407.13040	0.6
411.09717	0.6
411.70776	0.6
425.14493	100.0
426.14844	3.4
472.00751	0.6
508.11868	3.8
509.12793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19900	0.8
57.24949	0.7
59.01372	2.0
61.98825	1.7
69.38749	5.4
76.93333	0.7
83.00901	1.6
83.01369	12.5
85.02927	0.8
93.03436	1.4
116.52275	0.8
117.03503	0.9
119.05022	38.0
121.02948	1.0
121.06591	1.1
129.07089	2.7
135.04575	0.9
137.02440	1.4
138.03238	0.9
141.01857	0.9
143.04929	1.1
143.10759	1.0
145.06552	1.5
146.03821	0.8
147.08141	2.2
150.03163	4.0
152.01105	0.9
153.01910	1.0
163.04001	39.6
164.04692	1.1
165.01903	5.6
166.02687	1.8
170.02217	1.2
171.08168	0.9
175.04034	1.6
176.04796	1.7
177.05510	2.6
178.02699	3.9
179.03511	1.7
181.01340	1.3
182.02214	11.7
183.02971	9.6
191.03560	4.6
191.07050	1.4
192.04190	2.2
203.03447	0.9
204.04211	1.4
205.04997	11.4
206.09415	2.0
207.02950	3.4
209.11937	1.6
215.07089	1.7
217.05045	1.7
218.05754	0.9
219.06619	2.2
229.04979	1.0
233.04573	25.1
233.08151	52.9
234.08717	3.3
234.96394	0.9
235.07468	1.1
235.09743	17.8
247.06050	1.7
261.07632	30.5
262.08429	38.7
263.09195	20.5
275.09042	1.2
287.09039	1.0
335.12320	1.1
376.10999	1.0
407.13425	98.5
408.13928	5.5
425.14493	100.0
426.14828	5.2
539.21265	2.5
553.23236	1.5
571.17981	7.3
571.24371	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82531	0.6
54.92685	0.5
59.01366	0.7
61.98819	1.4
62.58054	0.6
69.28348	5.0
75.02422	0.7
80.97308	0.6
83.01372	3.3
85.02936	0.7
87.00838	0.7
89.02413	0.6
105.82685	0.6
119.05032	5.1
124.01633	0.8
137.02412	1.1
138.03189	0.9
143.10661	0.5
147.08040	0.6
150.03178	1.1
152.01164	0.8
162.06877	0.7
163.03990	7.8
165.01917	4.0
166.02638	1.7
177.05536	1.6
178.02663	1.7
179.03516	1.0
182.02206	3.4
183.02980	3.0
191.03493	3.9
191.07074	0.9
192.04306	1.4
205.03316	0.9
205.05066	10.4
206.05530	0.6
206.09460	2.5
207.02942	2.6
215.03551	0.7
217.08618	2.0
219.06557	1.2
219.10204	0.9
221.08127	1.1
233.04526	22.5
233.08084	7.1
234.04921	1.2
234.08911	1.4
235.09726	16.9
236.10225	0.9
247.06046	0.7
261.07687	3.3
262.08429	47.1
263.09204	21.8
264.09631	0.7
275.09229	0.9
402.99051	0.7
407.13397	9.7
418.26608	0.6
425.14490	100.0
426.14764	5.2
553.22504	0.8
571.17023	1.2
571.24164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.2
59.01374	3.3
60.82560	0.4
60.99290	1.2
61.98816	2.6
69.25260	0.7
69.25664	3.0
70.02965	4.5
72.00885	3.3
83.01392	0.7
88.98802	9.9
91.05533	2.9
99.64090	0.4
107.01357	0.4
119.05067	0.9
125.02450	3.5
135.04480	0.6
137.02432	1.0
141.01888	0.6
147.04512	18.2
149.74998	0.4
151.00363	1.5
153.01929	0.9
153.94499	0.4
161.02397	0.5
162.09265	0.6
163.03922	0.6
164.07152	53.2
165.01884	1.0
165.07480	1.6
167.03461	0.5
174.18726	0.4
174.83214	0.4
175.00374	1.9
178.99832	0.7
182.02214	4.0
183.02954	3.5
191.03477	0.6
193.01385	9.1
206.08203	100.0
207.08565	2.8
215.03481	0.5
227.91388	0.4
250.07137	0.8
257.04398	0.5
278.42560	0.4
301.03494	1.4
319.04486	1.7
345.08435	0.5
371.09824	0.5
414.95215	0.4
423.09427	0.4
426.13358	0.5
481.13229	0.6
507.13614	5.5
540.21045	0.5
570.21857	0.6
589.22028	0.5
594.11725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.6
61.40196	0.9
61.98822	4.4
69.03431	1.0
70.36413	0.8
71.01360	1.4
71.51795	1.4
74.99089	1.0
83.01382	3.0
88.98805	8.1
89.02409	0.9
92.51408	0.7
96.93246	0.8
96.96002	4.4
99.00846	1.5
101.02435	1.1
111.00856	3.2
121.02927	1.6
125.02415	1.3
137.02440	4.1
139.00348	1.7
139.03955	0.9
140.01102	1.2
141.01904	3.5
147.04507	1.0
151.04019	1.3
152.86327	0.9
153.01933	5.3
164.07133	2.9
165.01907	6.7
165.99004	1.9
181.01454	4.9
182.02205	79.0
183.02966	60.6
184.03238	1.2
193.05106	0.7
195.02879	2.1
206.08250	4.9
207.02974	1.0
286.37405	0.9
329.96085	0.9
359.35495	0.8
371.09537	1.0
419.22623	1.0
507.13507	100.0
508.13965	6.5
570.25665	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	570.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98829	100.0
97.30859	1.2
136.09592	1.3
163.91869	1.3
366.29562	1.4
378.88181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
61.98811	4.1
63.04124	0.8
64.22385	0.8
66.62009	0.9
69.25289	7.0
71.01366	1.3
75.07129	0.8
76.94289	0.8
83.01380	12.2
83.10815	0.9
98.20676	1.9
119.05022	14.4
124.01657	0.9
129.07085	4.0
137.02426	1.8
145.06534	1.1
147.08128	3.1
150.03230	5.4
163.03986	11.8
164.04785	1.0
165.01942	4.3
166.02675	1.6
171.08127	1.9
173.06030	0.9
175.03990	1.3
177.05493	1.3
178.02731	5.7
182.02190	7.0
183.02919	5.2
191.03458	3.0
191.07092	1.4
192.04234	1.2
194.02075	0.9
201.05492	0.9
203.03418	1.5
204.04208	1.6
205.05020	5.4
206.09489	1.7
207.02972	1.6
215.07199	1.7
218.05771	2.2
219.06590	1.4
233.04678	12.8
233.08171	57.0
234.08611	2.6
235.09747	14.0
254.05756	1.9
261.07660	28.5
262.08401	21.3
263.09183	13.0
287.09180	1.9
291.06619	9.2
335.12854	14.5
407.13440	100.0
408.13821	4.2
425.14508	35.2
426.14792	2.2
539.19330	6.3
571.22614	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	570.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57612	1.1
53.59815	1.2
61.98829	10.6
61.99105	1.5
61.99249	1.0
68.06561	1.2
69.97616	5.6
73.94473	1.3
78.96481	1.1
98.20026	1.8
101.00606	1.2
109.02950	9.0
119.04979	1.3
128.03468	1.6
150.03197	7.1
161.02409	1.8
163.00342	2.1
163.03987	1.6
178.02695	4.0
179.03578	2.2
182.02173	1.6
183.02841	2.0
190.99835	5.2
192.00568	3.9
206.02185	6.1
207.02997	3.1
218.99300	5.6
233.00893	3.9
234.01671	88.9
235.02448	87.9
283.78439	1.3
322.48154	1.7
345.05966	6.0
397.07712	77.2
398.07922	2.1
507.11383	100.0
508.11853	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	570.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.7
61.98829	21.1
69.36284	4.1
69.36712	6.4
71.01369	4.2
74.02466	1.4
75.00852	1.5
83.01385	6.9
85.02944	2.1
88.98775	1.6
97.02953	2.5
99.00870	4.6
101.02477	2.1
107.09318	1.1
111.00870	3.1
115.00385	1.6
121.02956	1.6
125.02464	2.4
128.03531	1.2
133.02972	4.5
135.04492	3.8
137.02425	4.8
139.00333	1.9
139.04033	2.2
140.01149	3.5
141.01964	6.9
143.04596	4.1
145.02972	1.9
153.01906	8.7
161.02432	13.3
163.03993	1.9
163.89026	1.4
165.01884	7.2
167.03456	3.0
171.10146	1.5
177.01871	2.0
179.03352	1.5
181.01401	8.2
182.02199	89.6
183.02963	81.3
183.13828	2.1
184.03305	2.1
186.01707	3.4
188.66838	1.4
193.05093	1.3
194.02170	1.6
198.47864	1.3
207.02965	1.3
207.04985	1.9
211.13211	1.3
237.04088	1.2
303.07230	10.6
306.07645	3.7
327.07169	3.3
345.08231	87.5
346.08429	3.6
355.17487	1.2
380.15799	1.3
439.55731	1.6
460.04166	1.4
499.19006	1.3
507.11359	100.0
508.11823	5.8
527.17297	1.9
570.21985	2.4
571.20245	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	570.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
61.98816	8.6
68.40672	1.7
78.95884	1.7
83.01402	4.8
88.98827	2.0
96.96004	5.6
97.02909	2.5
98.20665	5.7
99.00866	4.3
100.84151	1.9
111.00878	3.0
115.00349	3.4
125.02518	2.0
128.03477	2.5
133.02885	3.3
135.04526	3.5
137.02429	4.8
139.00385	4.4
141.01930	3.2
152.99635	2.8
153.01901	7.1
161.02461	9.9
165.01878	5.9
165.99054	2.7
175.02428	2.3
179.03496	5.0
181.01396	6.0
182.02223	85.1
182.31100	1.6
183.02986	65.5
186.01645	2.1
188.04698	2.9
195.02930	2.5
201.02734	2.1
207.02858	2.0
231.06606	6.8
232.06891	5.9
260.95627	2.0
262.73343	1.7
303.07150	5.1
306.07516	5.1
327.07132	7.2
328.07397	2.9
345.08240	79.7
346.08487	4.5
371.24387	4.3
507.11407	100.0
508.11563	5.6
570.19574	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	570.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91833	1.0
61.98828	55.6
65.04056	0.9
66.81321	0.9
71.01378	1.1
71.52170	1.3
76.33029	0.8
87.00880	1.3
89.02460	1.2
91.14584	0.8
101.02412	1.0
109.02957	12.9
111.00925	0.8
117.97054	1.0
119.05012	1.3
123.00886	2.5
125.02402	2.7
135.04549	1.1
137.02434	1.0
141.01979	2.5
147.00822	1.0
150.03201	1.8
151.00368	5.8
161.02426	2.9
163.00389	2.0
163.04024	2.6
169.01433	6.6
171.10271	1.2
176.01105	1.2
190.02766	1.8
190.99857	33.0
191.03523	2.9
192.00629	20.5
193.01410	6.0
203.03477	5.2
205.01476	1.4
206.02214	4.3
233.00873	2.3
234.01680	83.0
235.02452	100.0
236.02826	2.4
246.01595	1.1
252.27023	0.9
260.03302	4.3
261.03857	2.0
331.06430	1.9
345.06076	16.1
354.05908	1.0
397.07727	87.5
398.08298	4.6
423.09424	3.2
428.10535	0.9
507.11389	67.1
508.11795	3.3
552.61469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98824	1.6
69.05447	0.6
69.48226	4.7
91.92828	0.8
98.20629	1.5
99.00900	0.7
137.02455	2.0
139.00319	0.9
141.01956	1.3
141.68085	0.8
153.01917	1.6
155.29852	0.7
161.02377	0.7
165.01894	2.8
181.01421	2.1
182.02202	48.6
183.02980	54.3
184.03343	1.9
184.56389	0.7
195.02971	2.0
209.11649	0.7
306.07773	1.0
345.08243	100.0
346.08716	5.3
359.26587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	49.5
69.61640	7.1
69.62061	3.3
70.40397	1.7
83.01375	3.5
109.02961	2.2
111.00862	2.1
125.02453	2.0
135.04532	36.0
137.02435	4.8
137.09853	1.6
141.01952	3.2
153.01923	16.3
153.05540	1.8
161.02426	3.1
165.01926	5.3
167.86624	1.8
179.03474	12.0
181.01422	34.7
182.02209	68.1
183.02977	69.4
207.02869	2.3
237.89230	1.7
278.09439	1.9
295.72653	1.6
306.07449	1.9
323.04620	1.6
327.07141	38.2
345.08240	100.0
346.08478	3.2
376.21167	1.7
425.14249	2.6
453.71255	1.9
507.11426	84.9
508.11734	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	569.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01375	5.9
61.98823	17.8
69.54352	5.5
71.01371	7.0
72.99299	0.7
73.02940	3.5
83.01382	1.8
85.02960	3.0
87.00877	1.7
87.04506	100.0
87.89357	0.9
88.04847	0.7
89.02445	4.0
90.98596	0.8
97.02959	2.3
99.00872	3.6
101.02434	5.4
113.02461	2.0
125.02457	2.2
128.79546	0.8
135.04536	1.0
137.02464	2.3
141.01923	1.6
153.01991	1.3
161.02489	2.0
161.04518	1.4
165.01901	2.0
181.01424	1.1
182.02200	10.7
183.02951	15.8
209.11809	1.1
211.02667	1.0
231.06606	1.1
250.78360	0.8
292.21033	0.9
306.07565	0.8
307.17685	1.1
340.46381	1.0
345.08270	1.4
368.94815	0.9
377.21664	2.6
421.20639	6.5
439.22122	1.4
483.24918	1.0
509.25949	55.6
510.26376	4.7
525.19891	2.3
569.18622	10.7
569.30450	1.3
570.19751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57431	0.3
59.01366	0.4
61.83073	0.3
61.98830	1.6
69.03455	0.5
69.14938	0.3
69.28455	2.2
69.28861	0.7
71.01373	0.4
82.45876	0.3
83.01370	0.7
97.02945	0.6
99.00896	0.4
111.00864	0.6
111.04503	0.3
137.02420	1.5
138.02786	0.4
139.00340	0.6
139.03989	0.3
141.01945	1.7
150.05606	0.3
153.01921	1.1
155.03540	0.5
165.01917	3.0
165.99043	0.7
169.16031	0.3
177.01883	0.3
181.01416	2.0
182.02196	45.6
183.02968	49.2
184.03293	1.5
195.03030	1.9
207.03081	0.6
207.05063	0.6
225.04037	0.3
234.01584	0.4
235.02467	0.6
345.08237	100.0
346.08533	3.9
397.07739	0.9
507.11246	1.3
524.59253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52621	0.8
59.01381	5.7
61.98827	20.1
62.66122	0.9
66.36451	1.1
69.20598	4.6
69.21030	4.6
71.01382	8.3
72.99312	1.5
73.02937	3.3
78.16447	0.9
83.01387	2.9
85.02952	2.9
87.00871	2.1
87.04510	100.0
89.02430	3.4
90.98590	2.2
96.41299	0.9
96.96001	1.3
97.02940	1.3
98.19955	2.3
99.00895	3.4
101.02441	4.2
113.02441	2.6
115.03985	1.4
125.02422	2.3
131.03477	1.3
137.02419	1.3
141.01994	2.6
161.02370	2.6
161.04494	1.4
171.10213	1.2
178.06323	0.9
179.03444	1.2
181.01370	1.9
182.02214	12.6
183.02956	16.4
211.21606	0.9
215.75076	1.0
231.06509	1.1
268.21680	1.0
284.03036	1.0
292.55157	1.0
345.08188	2.1
377.21747	2.7
397.13480	1.1
421.20636	6.5
509.25977	63.6
510.26111	3.8
525.19482	1.6
544.21692	1.1
569.18445	12.5
569.27515	1.5
570.27887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
59.56861	2.4
61.98816	5.2
68.30331	2.6
71.01376	5.3
71.11566	5.8
75.00903	2.5
80.54234	2.4
83.01370	9.7
89.02461	5.2
95.05054	3.1
96.96009	9.7
98.20325	3.8
106.52992	2.7
109.85622	2.9
116.92876	18.5
135.04573	4.1
145.01408	8.3
151.07597	3.0
153.02081	3.2
161.02518	3.7
182.02173	11.5
235.05898	3.7
279.08722	100.0
280.08893	2.9
289.07175	4.1
301.01599	2.8
313.08527	2.9
348.99207	3.1
371.09467	3.0
537.15814	3.0
569.18427	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	569.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01378	100.0
60.01727	0.8
61.54829	0.4
61.98822	1.9
63.01327	0.3
63.44109	0.4
69.03481	0.6
70.10406	1.5
71.01369	4.0
73.02948	2.9
78.95892	0.5
83.01408	1.8
84.83984	0.4
85.02962	1.7
87.00878	4.0
88.98832	1.2
89.02441	3.3
95.01401	0.4
95.39294	0.4
96.96008	0.8
97.02979	0.4
101.02440	4.7
105.01985	0.5
109.02956	0.4
112.23275	0.4
113.02455	4.6
119.03519	1.1
121.02943	0.6
125.02468	1.6
131.03493	0.6
141.01981	0.6
143.03516	1.5
145.02980	1.3
145.48354	0.3
147.04567	0.6
149.04561	0.8
161.02486	0.8
161.04585	1.8
164.07182	0.9
171.10260	1.3
179.03494	0.4
179.05579	1.0
206.08224	2.4
227.07393	0.9
228.82068	0.4
270.78378	0.5
323.09790	2.6
341.10904	4.4
342.11377	0.4
345.08072	0.5
365.10922	2.0
383.11917	14.2
384.12207	0.6
397.08286	0.4
397.13583	0.9
407.11942	1.8
425.12961	32.7
426.13708	1.3
427.49896	0.5
467.14078	4.4
558.85394	0.4
569.24103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87416	0.5
54.03684	0.4
59.01378	100.0
64.78133	0.5
67.98864	0.5
71.51376	0.7
91.48253	0.5
104.70340	0.5
120.44057	0.4
159.43895	0.5
277.21747	3.4
291.23376	0.7
333.37360	0.5
478.83905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63011	0.6
54.84666	0.7
59.01373	3.5
61.98827	1.6
69.03437	1.6
70.23168	0.6
71.01385	3.3
71.52889	1.5
72.25573	0.6
75.00860	1.0
83.01392	5.9
85.02944	1.5
94.06599	1.1
97.02962	0.7
99.00877	5.2
101.02430	1.6
109.02968	0.7
111.00890	0.9
113.02412	1.5
120.08189	0.9
123.00877	0.8
128.03526	0.7
137.02443	0.8
139.00348	1.4
140.01114	0.9
141.01939	14.7
143.04578	1.0
146.09737	0.9
147.93672	0.7
148.07654	1.0
153.01929	1.3
160.07738	1.7
167.03468	1.5
171.99983	0.7
172.07646	1.2
172.11336	0.9
174.09227	2.7
174.10777	0.7
176.10788	5.2
181.01355	1.8
182.02180	2.1
183.02948	3.3
188.07141	1.6
188.10892	1.0
190.05016	0.8
190.08765	1.6
192.06671	2.3
195.02928	1.6
202.08694	1.1
204.06679	3.7
214.08733	1.6
216.10205	2.5
218.08203	1.2
220.09735	1.6
228.06676	1.1
228.10446	0.9
234.11426	0.9
242.08203	1.7
246.07709	2.3
246.11314	1.2
256.06339	0.8
259.03699	0.7
259.08289	0.8
260.09198	3.5
262.08325	1.4
270.07629	0.9
271.08408	1.8
272.09070	1.5
273.06274	0.9
274.07181	2.5
274.10843	1.8
274.93997	0.7
275.07901	1.9
276.08771	0.9
278.10349	6.9
282.11288	0.9
284.09183	3.0
288.08755	11.6
289.09448	6.9
290.10440	3.6
290.13409	0.8
299.11523	4.9
300.12201	5.0
302.10352	3.0
303.07153	2.7
317.12653	7.7
318.09866	1.7
318.13339	1.7
319.10666	1.5
320.11353	3.8
332.11417	1.7
343.10538	0.8
344.11255	2.5
361.11560	11.8
362.12387	9.3
388.10318	1.3
405.10526	1.9
406.11386	4.2
417.46439	0.7
425.14502	1.0
440.15726	0.8
506.16769	0.9
524.17664	12.1
526.15521	1.0
550.15582	7.4
551.15558	0.8
568.16644	100.0
569.17139	7.2
569.25702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13985	0.1
54.96723	0.2
58.42685	0.2
59.01375	0.5
61.98824	0.7
64.30586	0.1
70.17988	0.2
71.01413	0.3
71.52496	0.3
73.02955	0.2
79.92017	0.1
89.02425	0.2
97.37300	0.2
99.92587	9.5
100.92596	0.3
116.92860	100.0
117.92867	2.5
131.06557	0.2
133.02965	0.7
135.04524	0.5
135.37421	0.2
145.02919	0.3
151.00371	0.7
161.02426	2.8
167.03409	0.2
175.09993	0.2
178.99869	0.4
179.03412	0.2
181.01292	0.2
181.05017	0.2
182.02179	0.4
183.02940	0.3
201.11349	0.5
205.75027	0.2
243.02927	0.3
245.04623	0.2
255.03098	0.8
271.02478	1.3
299.01855	0.2
300.02698	3.0
301.03510	1.9
345.08310	0.3
345.26245	0.2
382.94958	0.3
387.21353	0.2
403.22943	0.2
447.09268	4.2
448.09442	0.3
459.90463	0.2
505.20886	0.3
547.01868	1.3
565.22369	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	566.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.47973	0.7
61.51270	0.6
61.98824	3.6
62.36655	0.7
64.86436	0.8
69.44049	4.4
69.44465	1.8
71.01369	0.9
83.93767	0.7
85.03012	0.9
94.95380	0.6
97.77710	0.6
98.20656	1.3
107.05009	0.8
133.01389	1.1
133.02950	6.3
134.03775	3.5
135.04520	93.6
136.04837	1.7
143.95830	0.8
159.67490	0.7
161.02425	22.9
169.01488	1.4
175.04044	1.4
179.03487	100.0
180.03838	2.4
203.03481	8.7
221.04541	1.3
323.07755	3.2
324.07639	1.0
341.08759	4.3
503.11917	40.8
504.12115	2.9
514.63098	0.9
546.22827	0.8
565.29028	1.4
567.24152	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	563.2857
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
55.70408	0.2
59.01371	0.8
61.98817	0.9
69.16903	1.8
71.01392	1.7
73.02920	0.3
84.49886	0.2
85.02966	0.9
89.02441	0.4
93.03462	0.3
96.95989	0.2
99.00876	0.2
99.72098	0.2
101.02455	0.7
109.30653	0.2
111.00908	0.2
113.02470	0.3
116.92865	0.5
117.03463	26.8
118.03747	0.4
118.92690	0.3
119.05023	20.2
120.05346	0.3
121.02972	0.7
125.02430	0.3
128.03537	0.3
129.01935	0.2
133.02902	0.2
133.06676	0.3
141.01929	0.4
145.02948	100.0
146.03275	2.0
147.04506	0.5
153.01920	0.4
153.37927	0.2
159.04437	0.3
160.01665	0.4
161.02434	0.2
163.04007	24.1
164.04344	0.6
167.03535	0.2
171.10228	0.3
175.03976	0.6
181.01440	0.3
182.02245	0.7
183.02927	0.3
203.03519	1.2
237.07584	0.3
245.08212	0.3
255.02908	0.3
323.07733	1.2
327.07559	0.3
327.21594	0.3
417.21188	0.2
443.15265	0.5
542.14935	0.2
563.28564	69.5
564.28870	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	564.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09919	0.2
59.01396	0.3
61.98828	100.0
69.15977	0.4
69.16371	1.6
78.95895	0.2
114.82146	0.2
117.03490	0.6
119.05019	2.7
133.02898	0.2
134.03758	1.1
145.02936	3.0
160.01653	1.5
161.02411	0.4
163.04001	5.0
175.04031	2.2
181.01530	0.2
182.02243	0.2
183.02997	0.4
193.05054	2.2
217.05302	0.2
285.04114	0.3
307.08160	1.6
337.09305	3.0
345.07874	0.2
374.34476	0.2
438.29559	0.2
501.14008	2.7
518.28052	0.2
564.25592	0.3
565.15405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27522	1.0
59.01376	9.4
65.56075	0.8
71.52255	1.4
77.03989	1.0
83.01396	1.1
85.06575	2.6
96.96011	10.2
98.39527	0.9
99.00846	1.0
106.60199	1.1
111.00883	1.7
113.06073	3.2
116.12495	0.9
121.02934	1.3
131.07135	26.8
137.02420	2.7
138.01952	1.3
141.01901	2.2
153.01939	2.2
165.01900	5.5
165.99089	1.5
173.08223	9.9
181.01393	4.0
182.02205	70.9
183.02972	66.5
195.02908	3.4
210.01599	5.2
237.03911	1.1
249.03780	0.9
280.08551	1.0
345.08243	100.0
346.08459	2.6
373.07773	5.5
383.06189	1.2
401.07272	6.1
521.77783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.4
71.51060	1.3
71.51452	1.6
72.00905	1.7
74.02460	5.1
78.95866	1.1
82.02995	6.2
83.01325	1.1
84.04549	7.3
86.02467	3.1
87.00850	1.1
88.92742	1.2
88.98812	1.3
96.96009	4.9
101.07206	4.8
109.34659	1.0
125.02437	11.1
126.09211	1.3
127.05112	6.7
128.03537	59.8
128.07204	1.3
129.03815	1.7
134.04726	2.1
137.02441	3.4
138.09248	1.6
138.95236	1.2
139.03990	2.6
153.01892	2.9
163.04153	1.2
164.07050	1.4
165.01910	1.8
167.03491	3.5
167.11931	1.1
169.01430	1.2
169.13445	7.8
179.03432	3.0
191.05548	1.4
195.11378	11.7
199.70775	1.1
213.12442	100.0
214.12779	3.5
219.06625	1.3
233.31071	1.1
239.10413	2.7
257.11420	46.0
300.62991	1.0
305.06592	11.3
319.04572	2.3
388.94620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.1
68.55499	0.5
70.73983	1.5
78.95905	7.0
85.06583	1.4
91.57147	0.5
100.85818	0.5
111.92419	0.5
135.83401	0.5
140.01189	2.2
152.99591	0.6
165.12851	1.1
181.12372	0.8
191.07106	0.6
191.59157	0.5
196.03659	0.7
199.13396	11.2
214.04828	3.4
261.18448	0.7
279.19635	11.8
329.24649	0.6
347.25897	5.8
363.25052	0.8
365.26929	100.0
366.27261	5.3
412.33841	0.7
487.77380	0.6
562.31445	26.3
563.31635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44307	1.2
60.99294	2.3
67.01900	1.3
70.74451	2.1
80.77506	1.0
83.01405	2.0
85.19794	0.9
88.98797	10.0
93.03458	2.5
95.01385	1.3
95.05015	1.2
109.02956	1.5
121.02922	2.9
123.00880	13.9
123.04543	1.5
124.01659	7.1
125.02448	27.8
137.02423	1.7
139.00351	1.3
139.03999	13.0
149.02434	5.1
151.00354	7.4
151.04013	1.8
153.01929	29.2
153.03149	1.5
157.01614	1.0
163.93884	0.9
165.01920	3.3
166.02678	6.2
167.03485	100.0
168.03864	1.8
169.01413	47.3
177.01913	4.3
193.01361	1.6
195.02904	1.7
212.56409	0.9
241.77368	1.1
259.56339	0.9
269.87015	1.0
273.04059	1.8
303.04907	4.7
319.04550	80.6
320.04932	3.3
435.78934	1.3
472.51407	1.1
473.07281	25.0
474.07681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.6
69.45860	2.8
69.46273	1.4
72.04548	2.8
82.03001	3.3
83.01385	1.2
83.91841	0.5
87.31236	0.7
94.03030	0.5
98.02481	0.8
99.08121	0.9
100.04037	2.3
107.35622	0.6
111.03268	1.7
111.04482	1.4
121.06593	6.6
124.07630	1.0
125.02443	1.7
126.05596	3.8
126.09240	13.1
128.03523	1.7
138.05595	1.9
138.09248	1.8
139.07655	1.3
140.10825	0.9
148.07674	1.2
150.09236	5.4
151.07681	0.8
153.01944	0.7
154.08719	6.1
156.06610	0.8
166.08722	1.6
167.03488	2.5
167.07100	1.0
168.10320	2.6
169.01389	1.2
184.09821	2.9
194.08241	0.7
210.07709	9.8
212.09282	12.8
213.12430	1.3
228.08783	2.8
256.08261	100.0
257.08551	2.6
257.11206	1.1
305.06613	1.5
319.04587	1.8
499.45361	0.6
548.16205	0.7
550.79956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2335
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
53.66810	0.6
56.17126	0.7
59.01368	6.2
61.98822	3.5
71.01360	3.6
71.53310	0.8
72.99310	0.7
74.02483	0.9
74.99475	0.6
75.79623	0.6
83.01382	0.9
85.02953	1.6
87.00867	1.1
87.76929	0.6
88.98795	1.3
89.02457	1.8
99.00895	0.7
99.05611	0.8
99.92590	1.3
101.02453	1.3
109.03012	1.0
109.06574	1.2
113.02442	1.6
115.00351	1.4
115.90599	0.6
116.92864	7.1
117.03455	2.5
121.02956	1.0
124.46315	0.7
125.02387	1.0
128.03563	1.8
132.02162	22.1
133.02979	4.1
134.03729	42.6
135.04582	0.8
137.02448	1.1
138.03160	0.7
143.04567	1.9
145.02946	2.8
149.06059	4.9
160.01643	99.1
161.02103	3.1
161.04634	0.7
163.04016	0.9
165.01801	0.8
171.10258	7.2
175.03976	100.0
176.04405	2.9
177.01799	0.9
178.02628	0.8
179.03445	0.7
193.05029	38.1
194.02257	1.1
194.05409	1.1
197.11909	1.3
209.11815	1.0
211.13339	1.6
217.05190	0.7
221.00815	3.3
222.01622	3.9
223.02307	0.9
236.03035	0.7
253.09326	2.2
254.04277	2.2
306.07529	2.1
325.20230	4.8
334.70517	0.6
361.09106	1.5
399.09161	2.3
443.15607	3.4
447.09863	1.2
461.44916	0.8
523.14581	7.8
525.14960	0.9
546.20374	0.7
561.23297	100.0
562.23663	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	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39592	0.2
59.01372	1.1
60.99303	15.4
61.98824	2.8
69.37685	2.1
71.01373	0.7
85.02958	0.5
88.98801	100.0
89.99119	0.4
96.96000	0.4
101.02443	0.6
108.12939	0.2
113.02447	0.4
117.03471	0.3
117.76470	0.3
119.05016	0.7
134.03741	0.4
134.34697	0.2
143.04596	0.4
145.02953	0.8
160.01674	0.9
161.02534	0.5
163.03986	0.8
171.10257	0.6
175.03992	0.7
193.05034	0.6
198.53902	0.3
208.03726	0.4
209.11728	0.5
235.02489	0.7
236.03242	0.8
269.04904	0.3
307.08194	0.4
399.09381	1.5
545.21869	0.4
561.22388	0.6
561.29498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36298	0.7
59.01370	1.8
60.99304	13.7
61.98824	5.4
68.99575	0.6
69.35284	5.3
71.01377	1.3
88.98802	100.0
98.19797	1.0
119.04988	1.1
121.02992	0.9
132.02136	1.0
134.03720	2.3
135.04597	0.8
145.02960	1.9
160.01659	4.4
161.02464	0.8
163.04007	1.9
171.10297	1.7
175.03986	4.8
182.02165	0.8
188.78583	0.7
193.05077	3.8
208.03754	1.1
235.02498	2.4
236.03177	4.2
248.46057	0.7
270.93820	0.7
271.02322	0.7
283.06097	2.0
381.08142	0.7
399.09283	9.8
447.09686	0.9
468.89987	0.7
493.23676	0.7
561.15894	1.1
561.22961	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
61.98840	0.8
70.66450	0.9
70.66779	0.5
73.29668	0.4
74.39828	0.4
97.82508	0.3
99.92561	2.1
105.45705	0.4
134.89471	100.0
135.89487	2.4
157.77254	0.4
197.82259	0.5
263.57562	0.4
309.12888	0.5
452.12082	0.4
452.18341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84449	0.1
70.84784	0.3
72.12733	0.1
79.95732	2.7
96.96006	100.0
114.71172	0.1
125.02448	0.2
151.00319	0.3
183.02928	0.2
242.02109	0.2
270.01608	0.2
271.02295	1.0
287.01947	0.7
289.07001	0.3
292.14435	0.2
316.02219	2.9
317.03030	0.6
386.24887	0.1
441.91995	0.1
463.08786	4.5
464.09079	0.3
485.15152	0.1
543.00781	0.2
571.21875	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
60.99303	14.6
61.98819	0.7
69.39532	1.3
71.01392	0.2
80.08101	0.2
88.98801	100.0
89.99151	0.4
102.10592	0.2
107.23485	0.2
117.03480	0.2
119.05016	1.1
134.03748	0.7
144.70139	0.2
145.02950	1.4
149.06099	0.3
157.16571	0.2
160.01617	0.2
161.02414	0.2
163.03984	1.7
166.54756	0.2
178.02716	0.4
182.02232	0.3
192.04242	0.2
193.05103	1.1
210.01711	0.3
232.67957	0.2
307.08240	0.7
353.08914	0.3
401.07333	0.2
403.07727	0.6
471.13040	0.7
487.12024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27750	0.8
57.03446	1.2
57.69103	0.8
58.42643	0.8
59.01362	1.3
68.99808	1.1
71.01377	2.7
71.52028	1.5
72.99285	4.0
79.95721	1.9
81.95303	0.9
83.01358	1.9
87.00881	1.0
96.96007	54.7
97.95929	1.8
98.95580	41.8
98.96413	6.7
99.00885	1.8
99.92582	87.8
100.92636	2.0
100.93354	7.6
111.00832	2.0
113.02362	1.1
115.92072	100.0
116.92853	93.0
117.92836	2.9
125.02439	6.8
126.94910	1.3
135.04509	2.1
137.02452	2.5
141.93626	2.6
142.94398	11.2
151.30954	1.0
156.92278	1.3
158.93896	2.9
161.02422	2.0
166.94386	1.0
169.93114	3.8
170.93950	6.4
182.02121	1.1
183.02919	1.2
184.95445	2.7
186.93384	1.0
194.93877	1.5
198.93343	4.4
212.94994	2.7
227.03525	5.6
227.05376	1.1
230.96194	1.8
255.02974	13.5
256.93918	11.1
257.94714	9.2
258.95352	4.0
273.07660	0.9
274.94989	17.3
275.95499	1.7
283.02408	5.3
284.03220	11.7
285.04004	4.4
286.04193	1.5
287.04602	2.1
337.95020	0.9
338.95901	1.8
365.94629	1.6
366.95444	14.1
367.95856	1.5
368.96991	2.9
384.96521	29.6
385.96466	1.1
463.07822	2.0
524.97925	3.1
560.99762	43.3
562.00171	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	559.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75737	2.8
59.01370	9.4
61.98828	23.3
71.01373	4.4
71.53534	4.5
74.86606	3.0
83.01418	3.9
96.95982	14.6
101.02415	5.8
109.02938	4.4
133.02972	20.6
135.04509	13.5
137.02397	4.0
138.03255	5.2
143.04640	3.7
145.02945	5.5
153.01926	7.5
161.02455	66.2
165.01865	7.3
166.02702	7.6
179.03482	6.8
181.01407	9.5
182.02217	14.1
183.02896	13.7
184.03268	3.7
192.18175	3.0
193.01384	11.0
194.02234	7.7
195.03009	3.3
200.46118	3.1
205.01418	3.3
221.00877	42.6
222.01651	36.5
223.02512	8.1
230.45074	4.1
253.03481	8.1
254.04343	28.9
255.05060	7.1
311.05606	7.6
328.10843	3.1
345.08310	7.3
360.08472	12.5
361.09219	12.1
384.07330	4.6
397.28510	3.1
425.14441	5.7
523.14557	100.0
524.14667	5.5
545.12036	3.4
559.25854	48.8
560.25641	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	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.7
61.98822	4.3
70.74122	2.0
71.01385	3.0
73.02956	0.9
78.95895	2.1
89.02444	3.2
93.05049	0.7
101.02435	3.1
104.45186	0.7
113.02449	1.1
119.03442	1.1
131.61317	0.7
133.09666	0.9
151.61816	0.8
161.04526	0.9
235.08199	1.0
253.09291	14.0
263.20135	100.0
264.20532	3.8
277.21698	5.1
345.99310	0.7
409.08023	0.8
474.26224	3.0
559.24103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36757	0.3
57.37565	0.3
59.01384	2.1
61.98815	1.7
65.00333	1.3
69.03445	0.5
69.61061	0.5
69.77381	2.1
71.01357	0.9
72.97528	3.4
74.99082	0.6
76.98664	0.4
81.03442	0.9
83.01392	3.2
89.00662	0.6
89.02443	0.7
93.03475	0.9
95.01394	1.0
97.02931	1.4
98.99107	0.5
103.52215	0.5
107.01372	1.3
109.02954	2.3
111.00866	1.3
112.17850	0.4
113.00665	1.7
113.02431	0.6
114.93382	0.4
114.98595	2.4
124.01663	0.9
125.02456	1.1
128.96526	1.6
135.00845	0.9
136.98813	1.4
137.02448	4.0
139.00320	0.5
141.00119	0.5
141.01904	0.8
142.98076	5.4
151.00258	0.4
152.01106	0.8
153.00162	2.6
153.01930	19.4
154.02188	0.5
154.98114	0.5
155.98840	0.8
156.99634	7.4
161.02400	1.4
161.61919	0.4
165.01942	1.4
165.05753	0.4
168.99568	2.6
178.99864	1.7
181.01416	48.7
182.02162	8.5
183.02995	9.0
183.98306	2.2
184.99124	13.2
191.89539	0.5
193.10791	0.4
194.05414	0.4
195.03043	0.9
196.99150	5.5
199.00702	1.4
211.97763	0.7
212.98619	38.6
213.99393	52.9
215.00171	8.5
266.50162	0.5
345.08255	6.5
347.04404	0.6
348.01550	0.5
375.03864	4.9
376.04617	3.5
377.05453	100.0
378.05829	3.8
458.43069	0.4
559.25421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26175	0.9
61.98823	2.6
65.86031	0.8
69.48869	4.3
71.01392	1.6
78.00008	0.8
83.01350	2.0
85.43550	0.8
88.04039	10.3
115.00364	3.3
124.01620	0.8
132.03029	17.9
137.02449	2.1
153.01855	1.1
163.04036	4.4
163.64626	0.9
165.01929	4.7
166.02682	2.1
177.05571	3.1
179.03485	1.0
181.01280	1.2
182.02193	18.1
183.02965	19.3
191.03416	4.9
201.54587	0.9
205.05032	10.7
206.09445	1.5
207.02980	4.0
219.06581	1.9
229.05106	0.9
233.04520	22.1
233.08081	1.2
234.04727	1.2
234.08989	2.5
235.09723	13.9
261.07706	1.3
262.08429	43.5
263.09174	19.2
345.08224	24.0
425.14505	100.0
426.14828	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	558.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.98833	2.8
63.34386	0.4
69.11926	0.4
69.28073	3.5
70.40944	0.4
71.01376	1.9
72.50751	0.4
73.15536	0.4
74.02447	0.4
83.01373	2.5
85.02979	0.7
88.04035	9.9
88.98793	1.0
89.24946	0.5
98.19876	0.7
111.58516	0.4
114.01977	1.3
115.00375	2.5
121.02962	0.4
124.01621	0.6
128.03540	0.4
128.14122	0.4
128.28441	0.4
132.03018	19.6
133.06552	0.5
137.02411	2.1
138.03267	0.9
139.00357	0.5
141.01961	1.8
143.04810	0.4
146.52222	0.4
150.03247	1.0
152.01097	1.6
153.01830	0.7
161.02400	0.4
163.04007	4.8
164.04675	0.5
165.01915	5.3
166.02678	2.0
166.99837	0.5
170.02219	0.7
177.05586	2.4
178.02710	1.2
179.03499	1.6
181.01463	0.9
182.02187	18.5
183.02963	16.4
184.03238	0.7
187.36299	0.5
191.03511	5.7
191.07164	0.7
192.04266	1.3
193.08656	0.5
195.02922	0.6
195.67264	0.5
205.05063	11.0
206.09415	2.3
207.02997	4.2
207.04965	0.9
210.28166	0.4
212.09296	0.8
215.03371	0.7
217.08652	1.1
219.06610	1.4
219.10274	0.7
229.05048	0.9
233.04526	27.0
233.07866	2.0
234.04823	0.8
234.08908	2.8
235.09721	15.2
245.08151	0.8
247.06097	0.6
261.07663	1.4
262.08426	48.6
263.09186	17.9
264.09604	0.7
266.67365	0.4
275.09183	0.6
278.59415	0.4
284.02942	0.4
327.07587	0.5
345.08203	25.2
346.08655	1.0
401.07202	0.5
425.14487	100.0
426.14813	5.3
462.76196	0.4
564.38300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68374	0.4
59.01374	3.0
61.51127	0.5
61.98828	8.9
68.64550	0.5
69.20600	0.8
69.21002	3.9
71.01378	1.8
72.97528	3.4
73.02938	0.8
74.99091	0.9
75.00887	0.7
75.56069	0.5
79.12000	0.4
81.03466	1.2
82.02976	0.9
83.01382	3.7
85.02963	0.6
87.00850	0.8
88.98783	1.0
89.02433	1.2
93.03454	0.9
95.01385	1.0
97.02974	1.3
99.00854	1.0
101.02438	1.0
107.01375	2.4
109.02956	2.5
111.00850	1.6
113.00671	1.6
114.98583	2.1
121.02962	0.7
124.01653	0.7
125.02475	1.5
127.48466	0.5
128.96501	2.0
134.02429	0.8
135.02945	0.6
136.00362	0.8
136.04022	2.8
136.98743	0.9
137.02441	4.7
138.01933	0.6
139.00304	0.7
141.01912	0.9
141.99641	1.1
142.98088	6.3
152.03537	11.8
153.00111	1.3
153.01935	16.1
154.02251	2.1
154.98143	0.6
155.98895	0.8
156.99634	6.5
161.02386	1.1
165.01909	2.0
167.03571	0.7
168.99638	2.4
169.99156	0.5
175.02545	0.7
178.99844	2.1
179.03452	0.9
180.00381	0.6
180.03012	17.1
181.01414	34.9
182.02174	19.6
182.97578	0.8
183.02965	17.2
183.98354	4.1
184.00699	4.5
184.03311	1.1
184.99118	16.8
185.99423	0.9
191.03505	3.0
195.02922	1.0
196.99135	5.1
199.00697	1.4
211.98026	1.1
212.00212	8.1
212.98615	46.8
213.99394	43.2
215.00160	7.1
221.27203	0.6
293.08804	1.2
315.07053	0.6
345.08234	25.2
346.08670	2.4
347.04340	1.6
348.04608	0.8
375.03900	9.0
376.04504	24.1
377.05432	100.0
378.05692	5.2
507.12686	0.6
558.08508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65364	0.8
57.04936	0.9
59.01366	3.0
61.98823	2.0
69.03447	1.4
71.01374	2.2
71.51891	1.2
75.00872	1.4
77.03963	1.4
78.95911	2.0
82.59624	0.8
83.01373	3.9
83.84518	0.8
85.02945	1.9
91.31767	0.8
95.01415	0.9
97.02928	1.5
99.00872	2.1
110.00090	1.5
111.00865	3.2
113.02470	1.4
114.94724	1.0
116.51048	0.8
121.02944	3.2
123.04611	1.2
125.02399	0.9
137.02432	7.7
139.00357	3.3
139.03976	1.6
140.01157	0.9
141.01933	4.4
143.04495	0.9
151.03996	1.2
153.01903	5.8
163.03976	1.2
165.01927	10.4
165.99042	3.6
166.99799	1.5
167.03474	1.3
177.01756	1.2
179.03436	2.2
179.10713	1.0
181.01361	9.3
182.02200	100.0
183.02968	84.7
184.03267	2.6
194.02196	1.9
195.03008	2.3
197.11856	4.5
206.47966	1.0
209.11810	3.1
255.06697	1.5
307.15533	0.9
327.07059	1.6
344.49304	1.0
345.08286	1.5
394.16235	2.7
395.16873	2.7
525.19763	25.8
525.26984	2.9
526.20282	1.8
526.27679	1.2
539.21356	2.6
557.22253	85.0
558.22406	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	557.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39973	0.2
59.01378	0.3
61.98828	100.0
69.35999	2.1
78.95918	0.7
80.96506	0.4
92.72701	0.3
99.92557	0.4
108.85396	0.2
116.92857	2.6
117.01976	0.5
119.51176	0.3
152.99617	0.4
203.01515	0.2
255.23308	1.8
256.23740	0.6
257.23981	0.3
480.31027	1.0
481.31235	0.3
483.31931	0.7
525.21179	0.3
557.32477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91808	0.3
59.01372	0.8
61.98827	19.5
69.36135	0.6
69.36534	2.0
71.01388	0.5
74.29823	0.2
81.37056	0.3
83.01374	0.3
94.15334	0.3
99.87903	0.3
100.11134	0.3
101.02440	0.3
108.90466	0.3
133.02937	0.5
135.04501	0.3
137.02417	0.6
141.01949	0.4
145.02930	0.5
153.01933	1.3
161.02429	1.5
162.02769	0.6
165.01836	0.4
179.03407	0.5
181.01421	1.9
182.02177	2.6
183.02977	1.9
183.98450	0.3
184.03368	0.7
187.03928	0.5
195.03101	0.4
202.06305	0.7
215.03485	9.3
216.03883	0.4
230.05811	46.2
231.06145	1.7
245.08157	100.0
246.08524	3.1
262.08417	0.3
272.50894	0.3
319.92154	0.4
345.08273	0.9
375.03906	0.8
389.12436	1.3
425.14594	0.4
443.15567	0.5
449.14505	4.6
493.20847	0.9
519.15631	0.3
556.20563	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	556.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88435	0.5
59.01375	0.6
59.63264	0.5
61.98827	6.6
71.52205	0.6
71.52583	0.5
78.95900	4.7
87.81938	0.5
136.45895	0.5
152.99582	1.0
156.37425	0.5
168.04294	1.1
224.06941	1.1
242.08020	2.8
254.46544	0.5
255.23203	0.8
256.23587	1.1
257.23911	0.6
281.24838	100.0
282.25162	4.7
482.31381	0.6
506.32455	38.5
507.32925	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	557.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89622	0.9
59.01374	3.1
61.98831	9.7
65.00319	4.3
67.01903	1.2
68.99566	3.9
70.66410	1.6
70.66753	2.2
71.01390	1.8
77.83761	1.1
81.03470	2.1
83.01382	11.2
88.98811	1.7
97.02960	1.8
98.99111	1.3
101.02435	1.3
107.01378	13.7
109.02972	5.8
111.00874	4.8
111.99870	3.5
112.98579	2.9
113.02438	1.4
123.04485	1.1
124.01619	1.2
129.32362	1.1
132.49927	1.1
133.02956	1.2
135.00883	2.7
136.98792	4.9
137.02484	4.9
139.00357	2.9
139.04018	2.2
139.99327	1.5
141.01961	1.9
142.98148	2.0
143.04654	1.6
145.02953	1.5
150.58281	1.0
151.00391	1.9
152.01138	2.4
153.01933	57.2
154.02269	1.3
154.98096	4.3
155.98843	4.4
156.99648	1.3
160.27095	1.1
165.01923	3.2
165.99068	2.0
166.97997	1.1
167.98892	3.9
168.99573	1.6
178.99855	4.5
181.01418	89.6
182.02205	40.5
182.97578	6.5
183.01372	2.2
183.02983	35.6
183.98349	20.5
184.99113	7.3
193.05252	1.1
194.97629	3.4
195.02977	3.6
207.03015	1.6
209.08229	2.2
210.97073	5.4
211.13370	1.3
211.97849	7.1
212.98615	6.4
237.07693	4.3
280.09549	1.8
315.07175	1.7
327.07239	8.4
335.22208	1.6
340.84991	1.1
345.08234	24.1
347.04401	9.2
375.03894	100.0
376.04300	3.1
423.18277	1.0
432.11780	1.2
443.15582	17.3
521.12659	2.2
557.06018	3.8
557.22412	12.1
558.22137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98831	4.4
69.03441	0.7
71.01395	0.3
71.06150	0.6
71.10544	0.4
76.77888	0.4
78.95911	1.0
81.03422	0.4
88.98786	0.9
96.96002	1.7
96.96963	0.8
97.02953	0.8
107.33553	0.3
112.42479	0.3
125.02448	41.9
126.02804	0.8
133.02956	1.2
135.04550	0.7
143.88406	0.3
152.01062	0.4
161.02454	3.6
164.07187	0.5
169.01430	100.0
170.01746	1.3
179.03566	0.4
206.08252	1.0
241.07411	0.7
242.08153	0.4
243.08957	0.4
331.06689	43.1
332.07214	1.6
359.13736	0.7
417.40125	0.4
467.16537	0.4
493.09851	3.4
556.19983	0.5
557.12891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2839
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.51542	0.3
59.01381	0.7
61.98822	0.4
63.82214	0.3
63.96231	0.9
69.58221	0.6
69.58647	1.2
71.01379	6.2
73.02965	1.5
78.98592	5.1
79.95734	7.9
80.96514	57.7
81.03445	0.8
83.01366	0.6
83.35202	0.3
85.02966	2.3
85.63816	0.3
87.00875	2.3
87.04552	0.4
94.98083	13.0
95.01411	0.3
96.95998	0.6
97.02961	1.2
99.00919	0.4
101.02438	2.1
106.98083	3.0
113.02403	0.3
121.37622	0.3
122.97590	5.0
125.02449	3.1
127.04031	0.5
133.02528	0.3
134.97586	3.9
136.66399	0.3
136.99129	0.9
146.97609	0.4
148.99133	5.7
152.98636	6.2
152.99768	0.6
155.14876	0.3
164.98619	9.8
182.99652	2.1
185.08128	0.3
206.99651	3.0
225.00729	16.9
225.64661	0.3
230.07593	0.3
243.01775	1.7
255.23273	3.5
295.92526	0.3
299.04468	2.8
383.82098	0.3
394.96762	0.3
411.10779	0.3
554.74243	0.7
555.28387	100.0
556.28796	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	555.2081
Annotation	Brianodin C
Peak:m/z	Relative Intensity
59.01378	1.2
61.98829	0.7
69.03452	1.4
69.19293	0.9
69.19691	4.4
71.01380	2.2
73.45710	0.5
73.60551	0.5
75.00869	0.9
77.03989	0.8
78.95917	0.7
80.96511	0.6
81.03461	0.8
83.01378	5.3
83.05028	0.5
85.02938	0.8
93.03468	0.8
94.95163	0.4
95.01402	0.9
95.05032	0.6
97.02951	1.5
98.20660	1.0
99.00872	6.5
99.01466	0.7
99.04570	0.5
100.94862	0.4
101.02419	0.6
109.02974	1.0
110.00090	1.3
111.00879	5.3
111.04487	0.8
113.02449	0.8
119.51077	0.4
121.02939	2.0
125.02441	0.9
128.03545	0.6
137.02438	5.9
139.00352	3.2
139.03964	2.3
140.01144	3.2
141.01941	9.6
143.04597	1.3
144.29918	0.5
148.23923	0.4
151.03960	0.8
152.99654	0.5
153.01927	8.2
154.02702	0.6
155.03522	0.7
164.01094	0.7
165.01933	6.9
165.12822	1.3
165.99110	2.4
166.99846	1.6
167.03548	0.7
181.01433	7.2
182.02196	81.6
183.02969	79.8
183.13925	5.9
184.03325	1.4
186.01622	2.3
195.02933	1.4
207.02960	0.8
209.11839	0.9
209.20209	0.4
211.13292	0.6
221.42009	0.5
225.94650	0.5
227.12900	1.3
306.07401	0.7
327.07159	1.2
345.08365	1.8
425.13824	0.5
471.18872	0.7
511.22192	1.0
513.19720	1.6
537.19830	1.0
555.20764	100.0
556.21130	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	555.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.12568	0.9
61.98819	2.9
68.04758	0.8
69.03456	1.6
71.01385	1.3
77.03954	1.6
83.01382	2.6
99.00888	1.4
105.04182	1.1
108.33897	0.8
109.02893	1.0
110.00066	1.7
111.00867	3.0
121.02978	2.0
130.07001	1.0
137.02444	4.9
139.00383	2.3
141.01930	3.8
150.42329	0.9
153.01906	4.5
159.48163	0.9
165.01941	7.7
165.99051	3.3
166.99934	2.6
181.01402	9.1
182.02208	100.0
183.02974	80.8
194.02190	1.4
195.02922	1.9
225.04001	0.9
227.20163	1.1
292.09207	1.0
327.07123	1.2
343.15390	1.0
361.48605	1.0
555.28107	80.3
556.28326	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	555.2077
Annotation	Tinosineside A
Peak:m/z	Relative Intensity
51.25887	0.4
59.01383	2.1
61.98812	1.3
69.45554	2.9
71.01361	1.1
78.65151	0.4
81.03448	0.5
83.01380	3.3
85.02948	1.0
89.02459	0.9
89.02991	0.4
90.49476	0.4
97.02950	0.8
98.20597	0.8
99.00868	2.9
107.05057	0.6
109.02941	1.1
110.88756	0.4
111.00874	1.7
113.02419	0.7
121.02937	1.1
123.00790	0.5
123.04552	0.5
125.02441	0.6
125.09698	0.8
127.04023	0.5
136.98894	0.4
137.02443	3.5
138.03206	0.5
139.00356	2.2
139.04007	0.8
140.01123	1.1
141.01930	6.5
143.04617	0.6
149.06091	0.6
150.03210	0.7
151.03984	1.7
153.01930	4.3
161.02405	1.1
163.03970	1.9
164.04813	2.5
165.01950	3.8
165.99008	0.6
166.02625	1.0
167.03496	0.9
170.02115	0.5
175.04108	0.7
177.01862	0.5
179.03452	6.8
181.01410	8.0
182.02191	24.7
183.02968	22.7
185.11874	0.5
191.03484	1.1
192.04288	1.0
193.05055	2.3
194.02168	0.5
195.02942	1.0
199.56279	0.6
203.03519	1.2
203.14479	0.5
206.02161	0.6
207.02980	14.6
209.11740	0.7
211.13394	1.5
217.04955	1.0
220.03752	1.3
221.04529	2.3
222.05133	0.5
223.13467	0.5
223.74295	0.4
223.76532	0.5
231.06644	0.8
232.03812	0.4
235.02505	0.5
237.07693	0.9
246.05235	0.5
247.13289	1.3
249.03975	0.7
259.06104	0.9
260.14542	0.5
263.12860	0.4
264.06454	0.5
265.10724	0.8
265.14319	0.5
279.12360	1.0
280.09824	0.6
281.13980	0.6
287.12924	0.6
289.10873	0.6
291.12216	0.7
303.12390	0.6
305.13852	1.4
306.07626	1.3
307.11761	1.1
309.13400	3.2
315.12387	0.7
321.13297	2.1
323.15070	0.9
327.07141	0.6
331.11722	1.3
333.13394	3.8
345.08066	0.5
347.14963	1.4
348.00540	0.4
349.12955	3.0
350.13596	1.4
351.10300	0.8
351.14456	8.5
363.14322	0.9
365.15982	1.2
374.13483	1.3
375.14499	3.6
392.14664	9.3
393.15518	22.9
394.15607	1.3
399.09375	1.0
435.16290	0.6
443.15433	1.9
451.19342	0.5
513.19781	0.7
537.19751	0.7
555.20728	100.0
556.21063	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	554.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.53484	0.3
71.01385	0.7
71.51198	0.4
73.02924	0.4
78.98594	0.8
79.95741	1.0
80.96519	6.1
94.98103	1.5
98.75179	0.3
101.02431	0.6
109.46260	0.3
110.27970	0.4
122.97581	0.5
125.02497	0.4
126.88348	0.3
129.66756	0.4
134.97551	0.4
148.99103	0.5
164.98654	1.2
183.03020	0.5
199.88295	0.4
225.00789	1.9
255.23351	1.3
256.23709	0.7
260.61737	0.3
294.90881	0.4
431.24338	0.5
554.24207	1.6
554.74426	1.4
555.28461	11.2
570.94464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44863	0.8
51.94058	0.8
51.94575	0.7
61.98829	100.0
65.10897	0.7
68.38775	0.7
78.95944	0.8
79.95757	1.1
80.96507	4.2
94.98107	1.2
118.31059	0.8
164.98599	1.3
209.48366	0.7
225.00783	1.8
229.35478	1.0
255.23392	0.9
342.03787	0.8
554.24323	2.1
554.74567	1.7
555.28619	6.9
565.91083	0.8
577.14142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43416	0.3
59.01377	22.9
61.98840	0.6
67.76939	0.3
68.99555	1.2
78.95901	18.4
79.48910	0.3
80.96494	0.5
81.04426	0.4
81.50845	0.4
112.98539	1.0
152.99576	2.9
168.04294	2.6
173.83678	0.3
224.06909	7.4
242.08008	2.0
255.23267	100.0
256.23642	4.0
263.40866	0.4
480.30908	74.6
481.31235	4.1
554.27075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79296	0.2
54.46513	0.2
59.01349	0.5
61.98820	0.5
69.78463	0.4
69.78880	0.8
78.95898	6.5
83.05020	0.2
107.59553	0.2
152.99612	1.3
168.04381	1.5
168.61783	0.2
171.39818	0.2
182.02109	0.3
183.02895	0.5
224.06822	1.2
226.41040	0.2
242.07976	2.6
261.22263	0.5
279.23267	100.0
280.23633	4.3
300.73376	0.2
401.28055	0.3
504.30930	39.7
505.31158	2.2
554.19714	0.4
555.20093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98818	1.2
70.25658	1.0
70.26038	1.4
78.95901	22.5
80.96500	1.0
96.96961	0.5
152.99541	3.2
168.04283	3.2
224.06931	8.7
242.07965	2.9
246.36836	0.4
279.23267	100.0
280.23666	3.9
280.62125	0.5
504.30948	80.6
505.31256	4.7
554.27155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24154	1.4
59.01370	2.6
61.98832	35.9
67.95173	1.5
69.20316	2.6
69.20725	12.7
72.30989	1.3
81.03444	2.1
83.01385	2.6
93.03440	4.1
95.05025	1.7
98.19841	3.3
109.65436	1.4
119.04943	1.5
123.00849	1.9
123.04484	4.5
125.02444	9.1
135.04494	6.2
137.02431	2.1
137.06079	2.7
147.91438	1.6
149.02379	4.1
151.00339	6.1
161.02419	1.9
163.03873	1.8
167.03499	21.3
167.89310	1.4
175.00209	2.0
179.03467	7.3
183.02982	2.0
190.99846	10.7
191.03497	26.4
192.00546	3.7
193.01411	5.1
205.04980	2.0
209.04550	45.7
217.05031	25.1
221.04614	1.9
233.04546	7.4
234.01695	23.8
235.02469	15.4
239.05653	8.0
241.04976	1.6
244.03532	4.4
245.04527	59.4
245.07060	3.1
246.04889	2.5
261.42215	1.5
285.04071	15.9
285.07370	2.1
287.05496	5.1
311.07739	6.3
329.06439	24.2
329.09039	17.1
371.07596	1.8
397.07642	12.5
407.09772	3.0
448.98337	1.5
473.10782	3.5
491.11917	100.0
492.12137	7.9
553.32092	2.5
554.32520	4.9
555.16895	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84600	0.2
59.01377	0.6
61.98829	100.0
69.19596	2.3
72.29823	0.3
88.31070	0.2
88.98801	0.8
89.02473	0.2
96.95989	0.4
117.03484	0.3
119.05042	0.4
128.03555	0.4
133.02969	0.5
134.03630	0.3
135.00900	0.4
135.04550	0.7
136.04858	0.3
137.02449	0.4
143.04640	0.3
145.03049	0.5
148.82520	0.2
151.04056	0.3
153.01889	0.5
161.02455	2.4
162.02802	0.8
162.47806	0.2
163.03995	0.5
179.03503	0.9
182.02254	0.4
183.02975	0.5
193.04968	0.5
211.07753	0.3
217.05135	0.4
231.06612	1.1
234.01704	1.4
235.02414	1.4
245.04520	1.5
285.04156	0.4
301.03564	0.3
323.07928	0.9
324.08148	0.5
329.06711	0.9
360.04642	0.2
397.07605	1.2
491.11993	3.5
518.14209	0.5
554.20020	0.5
554.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2636
Annotation	Leucine Enkephalin
Peak:m/z	Relative Intensity
50.45036	0.4
55.01868	1.3
57.03431	1.6
58.00582	1.3
59.01378	20.3
61.98829	7.5
69.65517	2.3
71.01378	16.4
72.99300	1.1
73.02941	4.0
77.71103	0.4
83.01393	2.4
85.02946	6.1
86.02472	6.8
87.00891	0.8
87.04508	1.7
88.98782	2.5
89.02441	15.1
95.01379	1.7
96.96011	0.8
98.20618	0.9
99.00845	1.5
101.02441	14.9
113.02443	7.3
119.01701	1.6
119.03487	6.4
119.04873	0.5
120.76129	0.5
123.04510	0.6
125.02443	0.9
131.03479	0.8
150.03197	1.2
153.12785	0.5
159.02953	1.0
161.02435	1.0
161.04544	1.7
165.05562	1.4
167.03418	0.6
179.05576	1.1
195.06648	0.6
196.06882	0.5
211.11667	0.5
245.04630	0.7
287.16916	3.2
305.17963	5.9
345.08206	0.6
391.13876	0.8
392.14282	1.2
428.59320	0.5
433.24551	0.6
467.23172	19.7
468.23267	0.6
491.11700	1.5
522.13898	0.5
554.26361	100.0
555.20392	0.6
555.26843	6.3
555.34589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11077	1.0
53.70601	0.9
59.01366	1.2
61.98826	34.4
69.03436	1.1
71.01369	1.8
77.03944	1.3
78.95912	1.0
81.03483	1.2
83.01383	3.1
85.02959	0.9
87.00886	1.0
88.76989	0.9
91.70850	0.9
95.01351	1.2
97.02951	1.2
99.00878	2.1
109.02964	0.9
110.00121	1.6
111.00858	2.1
117.03490	1.1
119.05027	2.0
121.02949	1.4
125.02389	1.1
137.02446	7.6
139.00369	3.7
139.03987	2.1
140.01097	1.2
141.01959	5.4
145.02960	3.9
153.01958	7.1
161.02412	1.0
163.03983	2.0
165.01910	8.4
165.99098	2.2
166.99815	1.3
167.03461	1.8
181.01414	9.2
182.02203	100.0
183.02969	83.1
184.03360	3.3
195.02969	2.2
225.03979	1.1
230.78946	0.9
243.94971	1.0
303.07220	2.5
306.07581	1.8
327.07190	2.5
332.40735	1.1
345.08209	25.4
345.12079	1.7
491.11926	97.1
492.12247	7.0
536.19159	1.3
554.11707	2.0
554.19678	6.5
555.20703	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	554.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25771	0.4
59.01387	1.9
61.98827	12.9
69.03441	1.2
71.01387	1.9
71.53347	0.6
73.02932	0.6
73.70954	0.4
79.63501	0.3
80.57566	0.4
81.03446	0.8
83.01379	4.0
85.02959	0.9
85.13042	0.3
95.01374	0.5
95.04990	0.4
97.02937	1.3
98.85225	0.3
99.00874	2.6
101.02441	0.7
109.02945	1.3
110.00097	0.6
111.00872	3.4
111.04528	0.6
113.02438	0.7
117.03443	1.3
119.05029	2.1
121.02937	1.4
123.00865	0.8
123.04556	0.7
125.02444	1.4
125.97173	0.4
128.03488	0.6
134.61176	0.4
137.02414	5.4
139.00359	2.8
139.04004	1.2
140.01154	2.2
141.01915	4.8
145.02950	6.8
151.03999	1.4
153.01927	7.6
154.02534	0.4
155.03477	0.6
161.02408	1.1
163.03999	2.9
165.01923	6.4
165.99060	1.8
166.02600	0.4
166.99789	1.4
167.03455	0.7
177.01958	0.9
179.03433	0.5
181.01419	8.5
181.05016	0.3
182.02197	89.5
183.02963	72.9
184.03265	2.4
186.01654	1.3
193.05031	0.6
194.02121	0.8
195.02994	2.1
207.02896	0.7
207.04903	0.5
211.13368	0.8
225.04201	0.5
235.06096	0.8
237.04184	0.4
265.07199	1.4
280.09543	0.5
303.07162	3.4
306.07693	0.7
327.07224	1.6
337.07346	0.4
345.08224	27.2
346.08502	1.3
374.48007	0.4
393.15384	0.6
449.10706	0.6
491.11911	100.0
492.12173	7.0
554.22766	2.0
555.20734	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	554.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	82.0
64.56354	0.7
65.00304	1.1
71.01372	1.2
76.08942	0.7
76.14903	0.7
83.01387	2.0
97.02927	0.9
109.02948	3.1
111.00884	2.6
117.37447	0.8
118.44988	0.7
119.05016	10.1
121.02962	1.1
125.02451	0.7
136.98775	1.4
137.02458	5.6
139.00369	1.4
140.01164	0.8
141.01897	3.0
145.02994	0.8
153.01935	25.0
155.03490	0.7
163.04005	7.6
165.01936	6.6
165.99080	0.9
166.02654	1.4
179.03421	1.6
181.01422	42.0
182.02188	61.8
183.02969	67.4
194.02063	1.0
195.03023	2.0
207.02921	2.3
225.03981	1.2
234.01707	1.5
235.02379	2.4
245.04568	1.1
254.68007	0.7
275.07974	2.2
276.08813	1.1
327.07172	58.9
328.07449	2.6
331.33438	0.8
345.08231	100.0
346.08588	4.2
397.07779	3.1
476.80222	0.9
491.11981	14.2
507.86874	0.9
554.15417	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	554.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28178	0.2
59.01378	0.3
61.84809	0.2
61.98827	36.7
62.15559	0.2
69.03433	0.3
69.28618	1.9
71.01377	0.3
77.03970	0.2
81.03439	0.3
83.01395	0.5
85.02955	0.4
90.93485	0.2
94.27007	0.2
95.10748	0.2
97.02960	0.6
98.19906	0.3
99.00867	0.3
100.18008	0.2
100.93900	0.2
103.96844	0.2
109.02977	0.4
110.00140	0.3
111.00877	1.1
115.94195	0.2
119.05013	0.4
121.02952	0.5
125.02435	0.2
137.02448	1.6
139.00362	0.6
139.04013	0.6
141.01949	1.2
145.73668	0.2
151.04001	0.4
153.01897	2.2
155.03430	0.4
163.03986	0.5
165.01927	3.8
165.99091	0.9
166.99834	0.7
167.03491	0.3
177.01939	0.4
181.01408	3.6
182.02194	50.7
183.02965	57.9
184.03270	1.2
195.02960	1.4
207.03049	0.3
207.05124	0.5
225.04083	0.5
227.76389	0.2
327.07193	2.2
345.08224	100.0
346.08551	4.5
389.33881	0.2
410.49829	0.2
491.11981	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	554.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
59.01363	0.8
61.98825	6.9
65.00319	0.5
71.52724	0.3
72.51380	0.3
81.03448	3.8
83.01377	1.8
83.57867	0.3
93.03437	0.3
95.05018	0.6
101.02425	0.4
110.83082	0.2
113.45005	0.2
116.92863	0.7
123.04519	26.8
124.04824	0.5
125.02431	4.5
125.05319	0.3
133.02951	1.1
135.04463	0.3
137.02409	0.4
145.02986	0.4
149.02402	0.3
151.00343	1.4
161.02420	3.6
167.03484	100.0
168.03795	2.2
173.23422	0.2
175.02455	0.4
179.03542	0.6
191.03790	0.3
203.03468	0.3
234.01634	0.5
235.02492	0.7
245.04549	0.6
254.07658	0.3
323.07599	2.8
397.07773	0.7
491.11932	14.3
492.12036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77554	1.2
61.98815	3.0
62.60178	0.9
71.01384	2.3
72.99294	1.0
79.36082	1.0
79.79311	0.9
83.01398	4.4
85.02946	2.1
90.52045	1.1
95.05019	0.9
111.00946	1.0
137.02451	1.5
138.03185	1.9
141.01935	3.5
150.03188	2.1
153.01907	2.4
163.04001	2.1
164.04837	1.5
165.01935	1.5
166.02647	1.0
170.02159	1.3
178.02757	1.3
182.02081	1.2
183.02945	2.4
187.03975	1.3
191.03381	1.1
201.05519	1.2
205.04967	1.7
214.68103	0.9
229.04982	1.3
233.04550	3.1
245.92477	0.9
273.15015	1.0
289.14523	1.6
293.13770	2.3
300.71539	1.1
301.14413	1.3
303.16095	1.2
305.13876	2.3
307.15555	2.7
317.14243	1.2
331.15445	3.0
347.14972	1.8
349.16452	3.5
359.15012	1.9
376.15179	2.2
377.16003	2.2
391.17410	1.4
463.71548	0.9
493.20761	1.8
503.19284	1.3
521.20239	100.0
522.20532	4.8
553.23297	1.8
580.47333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34103	0.2
57.03449	0.3
59.01368	0.6
61.98835	0.5
65.00323	0.3
65.26299	0.2
67.01889	0.4
68.99812	0.4
69.03445	1.6
71.01389	1.3
71.52304	0.2
74.48993	0.2
75.43092	0.2
77.03970	0.8
79.01888	0.3
81.03454	0.8
83.01389	2.8
83.05042	0.3
85.02956	0.8
87.00867	0.3
93.03465	0.7
95.01392	1.1
95.05026	0.4
97.02956	1.8
99.00880	2.1
105.15543	0.3
109.02956	1.0
110.00079	1.4
111.00875	4.0
111.04487	0.5
113.02439	0.3
121.02940	2.6
123.00858	0.7
123.04544	0.9
124.98768	0.3
125.02435	1.0
127.04025	0.3
133.02895	0.4
135.00841	0.3
136.98814	0.5
137.02444	8.2
139.00372	3.3
139.04030	1.6
140.01164	1.5
141.01944	5.4
151.04010	1.4
153.01938	5.7
155.03482	0.8
161.02373	0.3
164.01231	0.4
165.01923	10.1
165.99083	3.3
166.02625	0.8
166.99820	1.6
167.03453	1.1
177.01913	1.0
179.03456	0.4
181.01428	10.0
181.05045	0.3
181.12277	0.4
182.02203	100.0
183.02968	92.4
184.03325	1.9
186.01804	0.3
193.05087	0.5
194.02251	1.2
195.03009	2.2
207.02965	0.7
207.10228	1.0
209.00883	0.3
222.01648	0.5
225.04022	1.0
225.11255	1.8
241.12424	0.3
249.03934	0.4
267.12241	0.3
309.06323	0.2
327.07178	1.7
337.00378	0.3
345.08157	0.9
490.72437	0.3
535.18323	1.1
553.19208	98.0
554.19550	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	553.2288
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
52.25215	0.9
59.01363	2.1
59.81079	0.8
61.98814	2.7
71.01380	3.4
78.95904	1.3
81.03427	1.0
83.01374	7.1
85.02962	2.1
87.00834	0.9
98.19954	2.2
109.02924	1.0
113.02357	1.0
133.15906	0.8
141.01945	5.9
150.03178	2.1
153.01913	2.4
163.03993	1.5
164.04829	1.6
165.01898	1.9
179.03445	1.5
182.02155	1.3
183.02911	1.9
191.03546	1.9
201.05684	1.1
203.03496	1.4
205.05038	2.2
207.02977	1.0
209.04523	1.6
233.04514	1.6
249.14841	1.2
253.21722	2.4
254.22121	2.6
261.14850	1.1
285.15115	1.3
289.14481	2.0
293.13998	3.5
303.16077	3.2
305.13943	2.2
307.15491	4.2
313.14297	1.1
317.14044	1.0
319.15442	1.1
331.15436	2.7
333.17050	1.0
335.14825	1.3
347.14886	1.5
347.19016	1.0
349.16608	4.9
359.14911	0.9
363.17935	1.0
371.15073	1.5
377.16013	3.7
389.15842	1.9
401.14868	1.0
478.29742	1.2
479.29816	1.4
493.20746	3.1
503.19162	3.1
521.20276	33.9
522.20593	3.3
540.20331	0.9
553.22864	100.0
554.23236	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	553.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.2
59.01387	3.0
61.98833	5.8
71.01349	1.7
73.02918	0.7
81.03422	1.8
83.01384	6.9
85.02926	1.1
89.02413	0.6
93.03426	1.1
99.00846	1.9
101.02419	0.8
107.04957	1.0
109.02937	1.1
111.00836	0.8
113.12309	0.5
115.00352	0.7
119.05019	1.0
121.02920	1.1
123.00846	0.9
123.04433	1.7
124.01604	0.6
125.02384	1.5
125.09745	3.6
133.02863	0.7
135.00885	0.6
135.04568	3.2
137.02449	3.2
139.03979	0.8
141.01962	2.8
145.02892	1.5
145.55530	0.5
149.02478	3.3
150.03134	2.2
150.53624	0.7
151.03925	2.1
153.01826	1.9
161.02473	3.8
163.04019	7.5
164.04826	4.1
165.01834	2.0
165.05527	1.0
166.02553	0.7
167.03427	1.1
170.02066	0.7
175.03984	0.9
176.01053	0.7
177.01952	4.7
177.05516	1.8
178.02509	0.9
179.03487	2.9
181.01300	1.9
182.02213	7.4
183.01669	0.6
183.02959	7.8
189.05412	0.6
191.03499	30.6
192.04152	2.2
193.05054	0.8
195.02908	0.8
203.03499	3.2
203.10814	0.7
205.01321	1.2
205.04878	0.8
207.02823	1.1
213.79453	0.5
215.03281	0.8
219.02951	7.5
219.06392	0.7
220.03751	6.1
221.11549	0.7
232.61824	0.6
233.04434	0.8
245.11716	1.0
249.14473	0.6
259.13339	0.6
260.01743	0.6
263.12671	1.9
275.12857	0.7
287.12878	0.8
289.14468	1.0
293.13892	1.4
303.12222	1.8
303.15701	1.0
305.13516	0.7
307.11725	1.9
313.10550	0.8
319.11807	3.1
321.13385	3.4
327.06882	0.9
331.11932	6.3
331.15375	0.9
345.07831	1.8
345.13110	1.8
346.14075	1.6
347.11240	2.9
348.11783	1.7
349.12872	11.0
349.16748	1.4
362.13290	2.4
363.14487	8.0
373.12823	7.2
377.16214	1.1
390.08017	0.7
390.13184	13.0
391.13919	24.2
392.14066	1.7
493.20398	0.7
521.20227	9.4
539.18097	0.7
553.18933	100.0
554.19141	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	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
59.01365	4.2
61.98817	6.0
65.00323	2.0
65.74462	1.1
69.03448	2.3
71.01381	3.4
71.52587	1.6
73.02936	3.3
77.03956	2.1
81.03471	1.2
83.01386	12.4
85.02937	3.1
87.00880	1.7
89.02406	1.1
95.01366	1.8
95.05051	1.5
96.95998	1.1
97.02941	2.4
99.00873	3.9
99.60313	1.1
109.02940	5.3
111.00858	5.6
115.90584	1.1
117.03497	1.1
119.04945	1.1
121.02932	2.5
123.00893	1.7
123.04476	1.7
125.02459	2.1
135.04492	1.1
136.98788	4.6
137.02426	6.9
139.00327	4.8
139.03992	2.8
140.01187	1.4
141.01927	11.4
145.02963	1.7
150.03255	1.5
151.04002	2.1
153.01923	50.3
162.96736	1.3
163.04022	1.5
163.11287	2.2
165.01906	9.6
165.99045	1.6
166.02676	2.7
167.03477	2.1
177.01891	1.4
178.72029	1.2
179.03471	3.2
181.01408	68.8
181.12321	10.6
182.02194	100.0
183.02968	98.6
184.03249	2.5
186.01608	2.8
194.02235	1.5
195.02905	3.4
201.43710	1.3
207.02917	4.7
209.04459	2.1
213.08830	1.2
225.03998	2.3
225.11258	4.1
249.03926	2.4
285.06180	2.3
324.34256	1.2
327.07187	88.1
328.07455	3.4
331.15384	1.6
345.08237	80.9
346.08554	4.8
349.16510	1.4
355.24979	5.6
359.14835	1.2
456.44388	1.2
465.46957	1.2
494.22208	1.3
509.51770	1.2
521.20056	14.8
553.18677	76.3
554.18732	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24953	0.8
57.30800	1.0
59.01378	1.5
60.50020	0.9
61.98803	1.0
63.02393	9.5
65.00315	5.2
67.01875	1.8
68.99809	1.0
70.09750	3.8
71.01352	0.9
81.03456	13.1
83.01382	9.9
92.36239	0.9
95.05026	6.4
97.02914	3.6
105.03468	5.9
107.01398	2.1
108.02149	1.2
109.02983	1.0
123.04548	6.5
124.01660	15.1
125.02461	2.0
133.09178	0.9
135.00885	11.4
136.98828	0.9
137.02419	4.0
139.03056	1.2
139.04008	14.4
151.00354	5.9
152.01111	2.3
153.01877	1.6
161.02402	2.4
167.03494	24.4
167.04910	1.2
183.02928	8.2
193.04991	1.2
211.02472	100.0
212.02814	2.4
282.14606	0.9
305.06525	2.0
341.08682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1564
Annotation	Arillanin G
Peak:m/z	Relative Intensity
50.21085	0.3
54.44411	0.3
59.01371	1.0
61.98829	2.0
63.38435	0.4
71.01385	0.6
71.52226	0.6
76.86433	0.3
83.01379	3.8
84.47321	0.3
85.02934	0.7
87.00874	0.5
89.02429	0.4
97.02955	0.4
99.00880	0.6
99.12719	0.4
99.19317	0.4
104.65111	0.4
108.02169	2.9
109.02943	2.6
111.00853	1.1
123.04498	1.5
125.02398	0.3
132.54036	0.3
137.01578	0.4
137.02467	3.7
138.03188	1.2
141.01894	0.6
147.04434	0.5
149.02408	1.0
150.03183	0.7
151.00316	0.6
152.01141	0.5
153.01945	2.8
159.04459	0.4
161.02402	1.0
163.04131	0.4
165.01921	41.3
166.02586	1.8
167.03493	3.5
177.01807	0.6
178.90546	0.4
179.03474	3.1
181.01364	1.7
182.02222	6.7
183.02954	7.4
192.04248	0.5
193.01361	2.5
194.02136	1.5
195.02974	4.7
205.01410	3.1
206.02126	0.7
207.02953	1.9
207.04979	0.7
209.00864	1.4
219.03023	0.4
221.00912	4.7
222.01692	3.5
223.02393	0.5
223.54630	0.4
230.05823	0.6
231.03036	0.5
234.01608	3.4
235.02454	8.1
236.02803	0.5
237.04051	2.3
245.04599	1.1
246.05243	0.6
247.06126	0.7
253.03505	1.2
254.04320	1.2
257.04538	0.5
258.05380	0.9
265.03397	2.3
266.04303	8.1
267.05096	4.1
271.06088	0.6
273.03998	2.2
273.07523	0.7
274.04837	8.0
275.05331	0.6
287.05563	0.9
288.06326	0.6
289.07172	39.6
290.07468	1.6
299.05649	0.5
302.04239	3.4
303.08838	1.7
313.07056	0.4
316.05649	0.7
317.06631	43.6
318.07175	1.8
330.07468	1.1
331.08191	1.6
343.04398	0.5
345.08292	0.9
357.06143	0.9
358.06982	2.1
359.07608	3.7
361.09174	0.8
389.08807	1.5
390.09546	39.0
391.10300	25.0
392.10721	0.9
429.10318	8.7
430.10242	0.5
491.11752	1.9
521.13055	2.8
535.14545	1.0
538.13623	0.4
553.15546	100.0
554.15857	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	553.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87947	0.7
53.80268	0.7
59.01376	6.2
60.86859	0.8
60.99015	0.9
60.99307	17.6
61.98827	4.1
63.21291	0.9
65.00318	1.0
69.50352	0.7
70.60163	1.4
70.60503	1.7
71.01395	3.6
72.99312	1.7
73.02943	1.3
75.00890	0.8
83.01397	1.7
88.98804	100.0
89.02447	2.3
95.01393	0.9
96.96024	1.7
98.19947	0.7
99.00905	0.9
100.91660	0.8
101.02433	2.4
102.98594	1.0
107.01383	1.8
109.02976	1.3
110.00117	2.3
111.00861	1.3
113.02428	1.6
121.02888	0.9
123.00860	1.0
125.02424	1.8
134.03738	1.9
137.02388	1.4
139.00381	5.4
149.02396	0.9
150.03218	1.5
151.00352	4.5
151.03992	0.9
153.01889	1.0
161.02460	2.2
164.01134	4.0
165.01868	1.0
165.05545	1.7
165.83600	0.8
165.99043	2.2
166.99878	1.9
175.04031	0.9
176.01114	0.8
178.99860	4.3
182.02173	1.5
183.02986	1.6
183.04433	1.6
193.05029	2.2
194.05353	2.2
194.99339	1.1
199.04027	2.9
201.01889	4.3
201.60387	0.8
203.03578	3.7
215.03609	0.8
221.00777	1.2
227.03497	6.0
231.02933	5.4
232.03716	0.9
242.02277	1.0
243.02902	4.3
255.02954	3.2
263.43369	0.8
270.01581	1.2
271.02466	63.0
271.99927	0.9
272.02917	2.7
281.08859	0.8
285.13007	0.9
287.01923	6.5
288.02716	1.0
295.10944	2.4
296.11172	2.3
297.11295	1.3
299.01938	92.9
300.02515	6.3
301.03613	3.2
316.02240	24.3
317.02966	15.7
318.03241	1.2
327.13467	1.0
328.13806	1.5
329.14337	0.9
340.10202	1.3
341.10370	1.4
345.08179	1.9
371.12247	1.3
372.12772	2.8
373.13086	2.4
385.12964	0.8
391.13358	1.6
391.19971	1.8
391.27267	1.1
400.41574	0.9
463.08786	73.6
464.09271	2.1
553.19116	4.9
553.32288	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	552.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64095	4.3
59.01373	5.9
61.98830	28.9
66.78645	4.5
71.52274	4.0
71.52726	6.9
78.95899	12.2
113.43517	4.4
129.33192	4.5
133.02902	14.5
134.03214	6.3
135.04509	4.9
152.99579	19.3
161.02454	47.2
162.02789	25.6
165.01907	5.3
179.03453	7.4
180.40540	4.3
182.02106	9.5
183.02943	13.4
205.04897	4.5
207.03020	7.3
209.04567	8.9
221.00827	12.8
233.04533	6.7
235.09665	15.8
251.09369	6.7
262.08340	21.1
263.09174	24.5
279.08731	29.8
281.34451	4.2
294.10983	18.5
323.07727	22.0
324.07993	27.9
425.14624	17.8
457.17130	100.0
465.22385	6.7
552.16498	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
61.98820	1.0
67.31734	0.2
69.67464	0.5
69.67863	1.1
70.62894	0.2
75.03903	0.3
78.95900	7.3
78.98743	0.2
86.26812	0.2
98.20621	0.5
102.74891	0.2
115.36664	0.2
127.07638	0.3
143.30963	0.3
152.99631	1.4
153.00688	0.2
168.04260	1.5
214.20578	0.3
224.06891	1.0
233.22804	0.5
242.07956	2.7
275.20023	0.4
277.21698	100.0
278.22070	4.0
502.29373	45.8
503.29703	2.7
535.22522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	1.4
70.19281	0.6
70.19634	2.0
70.46211	0.5
82.00344	0.5
88.98797	6.7
107.01332	1.0
124.01656	1.8
125.02419	0.6
137.02449	2.3
144.64246	0.5
147.84517	0.6
151.00357	5.5
152.01176	0.8
161.02423	0.6
162.24266	0.5
164.01062	1.2
178.99866	5.1
214.02681	4.7
227.03485	0.6
242.02193	3.3
243.02966	2.1
259.02466	4.5
270.01788	5.0
271.02460	24.7
272.02612	1.0
287.01974	14.2
288.02649	1.3
316.02203	80.1
317.02893	17.3
463.08780	100.0
464.09113	4.7
511.27371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
69.99239	0.8
69.99659	1.0
71.01378	2.6
73.02940	0.7
75.71735	0.3
83.01397	0.5
85.02937	0.7
86.66933	0.3
89.02452	2.4
91.19836	0.3
94.69818	0.3
96.34984	0.3
101.02443	3.2
110.02216	0.3
113.02442	1.0
119.03498	1.0
133.05034	0.5
161.04541	1.2
173.03897	0.3
177.25029	0.3
179.05539	0.4
214.52396	0.3
235.08273	2.4
253.09288	13.4
254.09554	0.6
254.12181	0.4
255.23280	100.0
256.23630	4.7
263.19733	0.3
285.30569	0.4
491.32391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
62.12986	0.8
64.47363	0.8
71.01381	2.3
71.52306	1.0
89.02427	2.1
101.02442	3.4
113.02411	1.1
119.03473	0.9
140.03268	0.7
161.04518	1.0
235.08249	3.2
235.64851	0.7
253.09285	14.8
255.23280	100.0
256.23627	3.9
470.49231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15671	2.0
58.00534	2.2
59.01374	5.3
61.98834	24.6
69.31520	7.6
69.31944	11.3
129.10352	4.6
153.01944	3.4
163.04059	2.4
165.01883	4.9
166.02753	2.5
171.11391	3.3
179.03444	2.5
182.02266	5.2
183.02983	5.4
191.03520	2.4
205.05159	3.5
207.02931	3.3
209.04456	5.1
233.04507	8.4
233.08229	3.3
235.09790	17.3
251.02156	2.4
251.09297	4.7
261.07675	2.6
262.08432	27.3
263.09186	24.4
279.08719	34.8
280.08881	2.8
294.11148	10.1
295.11899	3.5
366.50214	2.3
374.65350	2.4
397.57776	2.5
425.14627	17.3
457.17130	100.0
458.17413	3.6
489.19794	5.3
523.25983	3.4
553.18842	5.2
553.26636	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	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02063	61.4
59.01373	74.7
61.98813	100.0
71.52262	78.5
72.92181	60.5
94.53366	63.7
98.52055	59.4
101.14616	65.3
117.32104	69.0
122.74835	67.7
149.23891	60.4
220.86472	70.2
223.67012	66.8
258.38184	78.9
328.75604	96.4
328.80164	73.6
559.26471	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
54.33229	0.2
56.64153	0.3
57.03448	0.4
59.01374	0.7
62.74998	0.3
65.00304	0.3
67.01913	0.4
68.99830	0.6
69.03469	1.6
71.01382	1.0
71.52044	0.4
72.51274	0.3
75.00882	0.3
77.03966	1.3
78.95909	0.5
79.98380	0.2
81.03438	0.6
83.01384	3.3
85.02932	0.8
89.72009	0.3
93.03437	0.8
95.01376	1.1
97.02947	1.9
99.00887	1.9
108.02161	0.7
108.14948	0.4
109.02934	1.0
110.00083	1.8
111.00876	3.8
111.04504	0.7
113.02435	0.6
121.02943	2.5
123.04533	0.7
125.02433	0.7
127.03972	0.3
133.03050	0.3
136.98824	0.7
137.01462	0.6
137.02438	7.8
139.00356	4.0
139.04048	1.5
140.01140	1.3
141.01936	3.9
151.04010	0.8
153.01932	6.3
155.03488	0.3
160.09923	0.3
162.43286	0.3
164.01082	0.4
165.01929	9.7
165.99075	3.3
166.02623	1.1
166.99866	2.0
167.03465	1.1
177.02000	0.5
181.01414	8.6
182.02202	100.0
183.02968	92.3
184.03323	2.0
186.01678	0.3
192.49174	0.3
193.04996	0.5
194.02177	1.1
195.02971	1.7
207.02885	0.8
223.13354	1.1
225.04015	1.2
230.89171	0.4
284.73645	0.3
286.49408	0.3
327.07181	2.0
345.08112	0.8
533.20380	0.4
551.21289	83.7
552.21527	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.6
61.98823	5.8
69.82373	4.2
69.82768	5.7
71.01382	17.4
73.02943	4.8
81.83215	2.0
85.02967	5.3
86.15310	1.9
88.98799	8.5
89.02450	15.9
96.96020	2.3
101.02435	4.8
109.02959	5.7
113.02457	4.9
116.92857	40.1
117.03437	2.6
117.92929	2.0
128.03529	3.7
137.02480	2.3
143.04596	3.6
145.02873	4.7
161.02399	3.5
173.06029	2.3
237.40340	2.6
241.05101	4.9
255.06371	2.5
295.09726	2.7
299.09348	3.2
300.02646	3.3
306.07526	3.2
307.08032	5.1
311.09311	5.4
313.10684	5.8
326.11560	3.0
341.13928	6.3
344.12537	15.6
359.15018	54.8
389.25314	2.8
425.58218	2.0
433.07687	3.0
491.19196	100.0
492.19620	6.8
551.23462	1.9
551.30695	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	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.98832	1.8
63.59225	0.3
65.00314	0.5
65.03960	3.9
67.01862	1.6
69.81004	1.7
71.01377	3.8
71.25010	0.3
73.02932	0.5
77.11612	0.4
85.02952	1.0
86.96455	0.3
87.00889	0.5
89.02447	3.0
91.01893	23.4
92.02217	0.4
93.03470	0.7
97.08254	0.3
97.96019	0.4
97.99241	0.3
98.19850	0.6
101.02434	1.7
102.39217	0.3
108.02210	0.4
109.02948	27.5
110.03313	0.3
113.02438	0.6
119.03531	0.5
121.02986	0.5
125.02460	0.4
131.03459	0.6
133.02945	1.3
135.00880	77.7
136.01213	1.4
137.02441	2.1
145.02917	0.6
149.04532	0.8
153.01929	100.0
154.02286	1.8
161.02432	3.5
162.02757	0.7
171.10303	0.6
177.01889	0.4
178.44704	0.3
179.03500	0.5
181.01489	0.4
182.02332	0.4
183.02942	0.4
185.11792	0.5
190.06155	0.3
215.12849	0.6
234.01601	0.4
235.02426	0.5
243.06606	4.2
273.23621	0.3
301.20276	1.2
323.07419	0.5
337.17438	0.3
341.13858	1.3
345.08557	0.3
371.24234	1.0
389.08630	0.4
389.17636	0.6
389.25461	2.1
433.49875	0.4
443.11884	5.5
473.45313	0.4
491.19012	0.5
551.13513	0.9
551.22931	1.3
551.30743	13.8
552.31317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90237	8.1
59.01366	18.0
66.86794	9.7
71.01372	16.5
71.51906	21.4
87.95760	8.3
89.02463	13.0
113.11406	10.2
267.11392	15.4
279.08005	10.1
280.08490	32.7
295.10886	70.8
327.13538	73.9
371.12485	100.0
372.64670	9.2
551.18542	44.1
555.70941	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
61.13161	0.5
61.98827	2.4
65.03963	3.5
65.72771	0.5
66.12798	0.6
67.01888	1.5
71.01380	6.7
71.52222	0.7
73.02941	0.6
74.18977	0.5
85.02953	0.9
88.98808	0.5
89.02441	9.0
91.01889	23.9
92.02228	0.7
93.03446	1.6
101.02444	2.0
109.02946	27.3
113.02449	1.2
119.05009	0.5
121.02924	0.8
125.02484	1.1
131.03468	1.4
133.01775	0.5
133.02898	1.0
135.00880	78.5
136.01248	1.4
137.02448	4.5
145.02951	0.8
149.04510	3.8
153.01930	100.0
154.02280	2.3
159.04456	0.6
160.05307	1.3
161.02377	2.4
162.02754	0.8
163.04036	1.3
172.05344	1.3
173.06204	0.7
173.91005	0.5
177.01993	0.5
179.03511	0.6
181.01497	0.7
182.02185	0.7
183.02890	0.6
184.82484	0.5
189.05620	1.2
190.06389	1.6
205.08665	1.3
215.12988	0.5
243.06549	5.8
268.87631	0.5
296.10519	1.2
311.12866	1.2
323.07968	0.6
327.07336	0.6
341.13919	7.8
371.24353	1.6
389.08365	0.6
389.25436	2.5
443.11929	5.3
491.19073	2.8
551.13776	0.8
551.23724	0.7
551.30750	12.4
552.31165	0.9
567.53149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40405	0.3
59.01373	3.9
60.99295	0.4
61.98823	3.0
65.08020	0.3
69.03438	0.3
71.01376	2.4
71.53542	0.4
72.99297	0.4
73.02934	0.8
74.65354	0.3
83.01375	0.5
85.02962	1.1
88.98793	2.1
89.02438	2.3
93.03452	32.4
94.03770	0.4
96.96001	1.0
97.02956	0.4
101.02435	2.4
103.03994	2.2
104.77329	0.3
113.02431	0.5
119.03490	1.1
119.04996	0.3
121.02954	2.3
123.04468	0.3
125.02420	2.6
127.03986	0.5
128.03569	0.4
133.02953	0.5
135.04544	0.4
137.02434	100.0
138.02754	2.0
145.02879	0.3
151.04074	0.4
153.01903	0.3
161.02423	1.3
163.03976	0.6
163.06160	1.4
171.10304	0.5
181.01407	0.6
181.06587	0.7
182.02170	1.0
183.02946	0.9
199.07637	14.7
200.07936	0.4
205.05026	0.3
243.06592	25.7
244.06934	1.2
247.08165	0.6
307.10327	0.6
310.44812	0.3
327.06995	0.4
345.08176	0.5
351.87180	0.3
353.23239	0.4
427.12378	0.5
551.16943	2.4
551.25330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98830	4.9
65.00323	0.5
68.99836	0.5
69.03450	1.5
70.71285	0.9
71.01378	1.6
72.99286	0.5
77.03970	0.7
80.63502	0.3
81.03446	1.0
82.73443	0.4
83.01385	4.1
85.02933	0.9
88.98798	0.5
89.02430	0.4
93.03451	0.6
95.01401	1.0
95.05035	0.4
96.95959	0.5
97.02950	1.4
99.00878	2.1
103.91316	0.3
107.77245	0.4
107.84061	0.4
109.02959	1.2
110.00072	1.6
111.00892	3.8
111.04525	0.4
113.02421	0.4
121.02967	2.7
123.00861	0.8
123.04520	0.8
125.02443	1.0
133.02948	0.5
137.02440	8.2
139.00377	4.0
139.03989	1.5
140.01144	1.5
141.01949	5.4
143.04633	0.5
149.02428	2.8
149.05923	0.4
151.04021	1.2
153.01932	7.5
155.03502	0.9
161.02379	0.8
164.04770	2.2
165.01929	8.2
165.99097	3.2
166.02620	0.6
166.99834	2.0
167.03453	0.9
171.10326	0.5
177.01923	0.8
179.03441	0.9
181.01421	10.8
182.02197	100.0
183.02966	85.2
184.03305	1.8
185.39088	0.4
186.01601	0.5
190.02704	1.3
191.03462	0.6
194.02216	0.7
195.02956	1.9
205.05074	1.4
207.03032	0.9
223.06082	1.8
225.04164	0.7
243.06516	0.5
255.02843	0.7
258.02478	0.4
303.07101	1.2
327.07214	3.9
345.08224	24.4
346.08521	1.5
355.57986	0.3
359.09631	1.0
535.73468	0.6
550.71918	1.1
551.14014	70.0
552.14325	4.9
562.24951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28019	0.4
56.77100	0.3
57.05687	0.3
59.01379	2.0
61.98801	0.5
65.00315	1.9
68.99801	0.3
69.03449	1.1
69.33402	2.5
71.01392	1.7
73.02924	0.4
77.03958	0.9
81.03453	1.1
83.01383	4.7
85.02929	1.0
89.02444	0.9
93.03452	1.1
95.01395	1.2
96.82796	0.3
97.02969	1.8
98.19917	0.5
99.00875	1.2
101.02468	0.6
108.02195	0.5
109.02946	5.2
110.00083	0.7
111.00860	2.8
111.04540	0.5
112.67200	0.4
113.02432	0.4
117.03461	0.3
119.04979	0.7
121.02959	5.1
123.00874	1.4
123.04542	0.9
125.02422	1.0
135.00873	1.1
135.04497	1.1
136.98799	4.4
137.02446	7.4
137.03513	0.5
139.00359	3.2
139.04030	1.7
139.49437	0.3
140.01108	0.7
141.01950	3.5
141.50388	0.4
147.04494	0.7
149.02432	18.9
151.03957	0.7
152.01086	0.6
153.01924	48.7
154.02275	1.2
155.03520	0.4
161.02408	1.7
163.03986	1.1
164.04773	8.8
165.01926	8.1
165.05200	0.4
165.99045	1.6
166.02716	1.6
166.99838	1.3
167.03455	1.3
177.02011	0.4
179.03441	1.3
181.01414	68.7
182.02193	62.2
183.02963	61.7
184.03244	1.3
186.01694	0.5
193.01422	1.3
193.05011	0.8
194.02234	0.5
195.02925	1.8
205.05006	0.6
207.02992	3.4
208.03749	1.3
215.12828	0.6
218.46902	0.4
219.02904	0.7
223.06104	8.8
225.04007	1.5
227.07220	0.4
237.03972	0.4
249.04048	1.4
285.06082	0.9
287.53925	0.4
309.06180	0.7
327.07178	100.0
328.07486	3.9
329.23282	0.8
345.08228	54.3
345.22696	1.0
346.08563	2.0
359.25064	0.4
371.24310	0.7
389.25415	0.7
551.14050	9.7
551.24103	0.5
551.30792	9.6
552.14587	0.6
552.31110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33489	0.8
55.80231	0.8
58.99586	0.9
59.01380	15.8
60.59627	1.0
61.98825	6.7
64.76468	0.9
65.00314	2.6
68.99567	1.5
69.29194	1.8
69.29604	5.9
71.01377	10.8
72.95450	0.9
72.99308	1.1
73.02962	1.3
75.00851	1.0
81.03442	2.3
83.01382	5.4
85.02959	3.4
87.00854	1.1
87.53010	1.1
88.98808	4.8
89.02446	9.0
93.03470	1.7
95.01392	2.2
96.95999	1.5
97.02966	1.7
98.20713	1.9
99.00903	1.0
99.04532	1.2
101.02454	5.4
108.02199	1.1
109.02934	5.1
111.00901	3.6
112.98583	1.4
113.02444	4.7
117.03467	1.1
119.03486	2.1
119.05003	2.7
121.02951	5.0
123.00901	2.3
123.04512	1.4
123.66465	0.9
125.02415	2.0
128.03558	1.1
132.02188	1.8
132.08447	1.1
133.02043	1.2
133.02975	9.5
135.04547	9.2
136.69127	0.9
136.98802	3.2
137.02409	6.9
139.00363	2.7
139.04001	1.7
140.01149	1.0
141.01939	3.6
143.04604	1.3
145.02907	2.8
149.02444	15.9
149.06100	1.6
151.00348	1.4
151.04042	1.3
152.00983	0.9
153.01929	46.2
161.02448	29.2
162.02785	1.7
163.04025	3.1
164.04771	7.4
165.01941	8.4
165.12793	1.4
165.99094	2.0
166.02606	1.4
166.99803	1.2
167.03447	2.6
171.10336	1.0
175.02570	1.3
175.03972	2.0
177.05588	2.1
179.03545	4.6
179.05598	4.3
181.01421	63.5
182.02211	52.7
182.03505	0.6
183.02982	61.8
184.03273	2.4
185.11859	3.6
192.00777	1.0
193.01486	1.0
195.02969	2.2
203.03490	16.3
207.02980	4.1
208.03755	1.4
209.04669	1.2
209.11815	3.6
215.12808	1.5
221.04460	1.3
223.06133	7.4
227.03442	1.2
227.12886	1.4
229.04967	1.3
234.01750	3.0
235.02455	4.0
237.04150	0.9
243.06523	1.2
249.04088	1.1
255.03006	1.2
284.03268	1.6
285.03979	6.1
286.04239	1.7
309.06311	1.1
327.07193	100.0
328.07632	3.9
341.08704	4.0
345.08246	50.7
346.08496	3.0
371.24292	10.0
389.08774	1.2
389.18262	5.9
389.25470	3.6
397.07724	3.7
491.28458	1.4
507.28284	2.3
551.14484	9.9
551.22498	7.2
551.30652	43.7
551.37817	2.0
552.14380	1.2
552.31152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.6
60.99294	2.1
61.98825	3.6
64.27620	1.2
65.00314	3.1
66.19562	1.6
70.69317	1.7
70.69642	2.6
71.01385	3.3
75.00874	17.7
83.01373	7.5
87.00890	1.8
88.98809	18.4
89.02441	2.4
105.03452	2.8
109.02985	2.2
109.27089	1.4
111.00848	2.5
124.01623	2.5
125.02449	2.0
135.02988	23.3
135.21458	1.8
136.01669	2.1
137.02432	4.5
138.03189	2.8
139.00407	2.8
141.01964	1.5
149.02408	2.5
150.49828	1.5
151.03897	1.9
152.01138	6.1
153.01958	2.5
164.01141	12.2
165.01906	7.1
165.99039	2.2
166.02750	2.3
167.03468	3.1
175.04086	1.4
177.01888	2.0
178.99831	4.0
179.03435	1.7
181.01389	5.4
182.02208	30.4
183.02960	18.3
192.00630	38.9
193.01381	8.4
194.02197	3.4
195.02921	4.7
195.91481	1.7
205.01454	2.7
207.03065	2.2
208.00096	11.3
209.00853	8.2
210.01688	53.7
211.02438	9.5
219.77519	1.6
220.00133	27.5
221.00873	53.0
222.01682	9.9
223.02463	4.8
235.02446	4.8
237.00412	1.9
238.01128	3.1
239.01868	2.0
247.99593	9.2
249.00424	3.1
250.01242	1.9
251.02000	2.2
252.02771	4.7
266.00531	9.7
267.01419	4.1
268.02133	1.7
291.48764	1.6
312.48199	1.6
345.08264	10.8
371.06158	21.0
373.07654	6.6
383.06152	100.0
384.06400	5.6
385.07639	9.9
399.05457	5.3
401.07220	38.6
402.07309	1.9
403.08640	1.5
411.05643	19.4
415.08728	16.7
427.08768	1.9
429.06601	12.8
431.08209	12.4
433.09763	3.2
457.10004	2.2
461.09290	42.0
473.09128	1.6
475.11102	2.4
501.08820	3.4
519.09802	5.5
537.87500	1.8
551.13074	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	550.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98539	1.0
61.98829	13.0
69.16043	4.3
69.16452	2.2
71.01369	2.3
73.02922	1.0
73.76237	0.7
85.02930	1.2
89.02461	1.2
93.03419	0.8
99.92562	1.0
101.02443	0.9
113.02426	0.9
116.92863	8.6
117.03439	1.0
117.92848	4.7
119.05020	62.7
120.05293	1.4
133.02948	23.4
134.03476	1.2
135.04523	26.5
136.04875	0.9
145.02951	4.2
161.02431	100.0
162.02783	5.5
163.04001	61.1
164.04329	1.3
175.03954	1.2
179.03487	26.0
187.03903	1.7
189.05559	0.9
203.03470	3.6
230.54044	0.7
246.72798	0.7
273.96451	0.7
323.07675	55.5
324.08075	1.5
341.08792	3.1
487.12433	36.3
488.12857	2.2
549.22839	4.8
549.30597	1.0
550.23413	12.1
570.41754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33173	0.8
59.01367	3.5
60.99308	17.6
69.44852	5.6
70.62078	0.9
71.01371	3.9
75.00881	1.1
83.33353	0.8
85.02930	3.8
88.98804	100.0
89.02425	1.1
93.03464	0.9
95.01362	1.7
98.20686	1.8
113.02458	5.5
116.92833	3.1
142.70242	0.9
145.02921	1.8
169.02776	1.0
175.02461	2.9
187.04004	1.5
226.08939	1.1
227.03520	1.3
229.04997	4.1
241.04826	1.0
246.47359	0.8
257.04501	2.0
262.46283	0.9
285.04028	49.4
286.04459	1.3
292.56967	0.8
335.49005	0.9
461.07190	20.0
551.30560	2.3
553.66284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16169	0.6
52.97753	0.6
53.98347	0.6
54.82982	0.6
56.90257	0.7
59.01071	0.7
59.01376	11.9
60.51945	0.7
61.98817	0.8
69.91674	0.6
71.01366	2.6
71.51124	0.6
71.51492	0.6
73.02932	1.0
77.96261	0.6
78.95899	2.8
86.13857	0.5
89.02447	2.0
101.02431	2.8
113.02453	1.2
121.02880	1.1
126.38869	0.6
141.69742	0.7
152.99542	4.1
161.04539	0.7
161.43655	0.6
189.65781	0.5
190.20358	0.6
235.08188	2.3
253.09274	11.5
253.21707	100.0
254.22064	4.0
309.73706	0.7
328.97882	0.6
489.30585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72569	1.3
59.01376	1.6
61.98829	31.0
69.45344	8.9
71.01369	1.6
72.19077	1.2
76.92059	1.1
81.01196	1.1
93.92913	1.1
113.02430	1.4
119.05022	59.5
120.05416	1.8
130.43547	1.2
133.02937	20.2
135.04523	22.6
139.37097	1.2
145.02937	3.3
161.02437	100.0
161.37755	1.5
162.02773	3.3
163.04004	73.4
164.04340	2.1
177.05475	2.0
179.03474	22.9
203.03470	4.9
243.09706	1.1
323.07700	73.1
324.07971	3.9
341.08566	1.9
480.78030	1.4
487.12476	45.5
488.12622	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58453	0.4
54.05997	0.4
55.01886	0.6
59.01377	8.1
61.98832	0.8
69.48464	2.8
71.01371	4.7
71.25873	0.4
71.27294	0.4
73.02943	5.9
83.01384	0.6
85.02955	1.7
89.02434	2.8
92.40450	0.4
99.00888	1.3
99.92580	11.5
100.92590	0.6
101.02424	3.5
105.03474	0.6
109.02917	0.5
113.02467	1.6
115.57324	0.4
116.92854	100.0
117.01934	11.4
117.03368	0.9
117.92875	4.2
119.03493	1.3
125.02422	0.4
132.02179	1.3
133.02950	32.2
134.03780	1.9
135.04523	11.2
137.02438	1.6
145.02992	0.6
153.95926	0.4
158.65222	0.4
161.02432	98.2
162.02768	2.0
163.11285	0.7
171.10231	0.8
178.02690	1.0
179.03485	6.4
183.02916	0.5
191.03456	0.6
201.11313	1.0
203.03444	0.5
207.10219	1.5
227.03549	2.2
255.03044	2.8
284.03244	2.3
285.04083	3.1
369.23026	0.5
377.18079	0.4
387.16589	14.1
387.24146	1.0
431.09796	4.4
505.26337	0.9
531.28217	0.6
549.22894	53.7
549.28821	5.4
550.23547	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
57.33750	0.2
58.00564	0.2
59.01381	4.5
61.98820	0.3
64.28201	0.2
68.03827	0.2
68.99561	0.5
70.21100	0.1
71.01381	1.6
71.06185	0.2
71.06526	0.3
73.02944	5.2
83.01379	0.3
85.02946	0.5
87.00849	0.2
89.02448	1.1
99.00885	0.8
99.92582	10.1
100.92606	0.2
101.02431	1.2
112.98569	0.5
113.02429	0.6
114.93415	0.3
116.92859	100.0
117.01938	9.8
117.92863	2.6
119.03495	0.4
119.05065	0.2
125.02443	0.2
125.09740	0.8
132.02216	0.3
133.02953	5.8
134.03760	0.3
135.04517	2.2
145.02924	0.4
161.02435	17.9
162.02814	0.3
163.03983	0.2
163.11292	0.3
167.03569	0.2
171.10336	0.3
179.03442	1.6
183.38161	0.2
201.11322	7.5
207.10277	0.6
227.03415	1.1
255.02963	1.9
257.04526	0.2
273.07663	0.4
284.03223	2.2
285.03995	2.2
330.93689	0.2
369.22992	0.2
387.16571	7.4
387.24008	0.3
388.16681	0.2
403.53500	0.2
409.00497	0.2
431.03928	0.1
431.09775	3.7
463.25696	0.5
505.26498	0.9
507.28058	0.2
531.27899	0.4
549.23047	6.1
549.29553	4.1
550.23456	0.2
570.98877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01364	2.8
61.98833	3.7
62.49894	0.7
65.00323	1.3
69.86247	0.6
71.01370	1.7
71.04597	0.7
73.02929	1.2
75.40916	0.6
81.39859	0.7
83.01368	1.1
85.02919	0.7
87.00842	0.6
89.02448	1.3
99.04514	0.8
101.02463	1.4
107.01394	3.6
108.02160	1.9
109.02930	1.7
113.02429	1.2
113.71748	0.6
115.00316	0.7
117.36411	0.7
119.05033	0.7
121.02943	2.1
125.02422	0.7
133.02934	0.8
135.00867	0.9
137.50224	0.6
143.04597	0.8
145.02937	2.3
148.01674	1.5
151.00354	10.5
161.02429	1.7
163.00388	2.7
163.04085	0.9
178.99881	5.6
183.02953	0.8
199.03912	0.8
211.03935	0.9
226.02831	1.0
227.03528	2.3
229.87497	0.6
242.05965	0.8
243.02983	11.9
245.04483	1.7
254.02159	1.6
255.02977	28.0
256.03479	1.3
257.08212	0.9
271.02460	58.1
272.03000	4.9
273.04102	0.8
283.02567	1.5
295.07291	0.8
299.01895	0.7
300.02731	100.0
301.03470	39.6
301.14648	0.8
302.03885	1.7
311.10437	3.0
315.10019	0.9
337.08228	1.2
369.10947	3.1
387.11667	1.0
463.09137	3.9
505.09842	79.9
506.10062	3.8
549.17169	2.2
549.29681	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	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59806	0.3
52.10617	0.3
57.03439	0.3
58.34990	0.3
59.01382	5.3
61.98834	2.7
64.82837	0.3
65.22589	0.3
67.53102	0.3
68.99578	1.1
71.01388	2.7
72.99308	0.4
73.02946	2.5
85.02979	1.0
87.04535	0.3
89.02434	1.9
93.03426	0.5
95.01402	0.4
96.96017	0.7
99.00876	0.4
99.92580	5.2
101.02441	2.1
105.03471	0.6
106.94067	0.3
107.05042	0.7
112.98585	1.3
113.02460	0.9
114.03661	0.3
116.92857	59.9
117.01933	6.0
117.03477	0.8
117.92845	2.1
119.05020	13.7
123.04529	0.4
132.02158	1.8
133.02951	34.0
134.03754	1.7
135.04527	16.7
136.04811	0.3
137.02440	0.6
145.02953	0.8
161.02434	100.0
162.02769	2.3
163.03998	12.5
167.03474	0.4
177.05672	0.4
178.02647	0.5
179.03485	11.7
198.45232	0.3
201.11320	3.1
203.03522	1.1
215.12961	0.3
227.03464	0.9
255.02910	1.0
284.03192	1.0
285.03851	0.9
323.07684	11.8
341.08536	0.5
369.22772	0.5
387.16602	2.1
387.23654	0.8
431.09900	1.9
463.25403	0.4
487.12445	5.2
505.26373	1.4
549.22980	67.7
550.23291	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22967	3.5
59.01370	7.4
60.99310	7.2
61.98790	6.7
75.00871	9.4
88.98790	44.9
98.20645	8.9
161.02426	4.7
163.04004	5.2
165.01950	3.5
179.03506	5.0
197.11818	4.9
205.05049	10.1
233.04543	23.9
235.09647	10.7
253.09293	4.8
262.08447	57.6
263.09119	13.9
265.08252	3.4
272.40512	3.9
310.54999	4.3
311.21716	4.6
425.14462	100.0
426.14908	4.3
457.17200	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86728	1.8
60.99298	2.5
61.98815	2.1
62.10485	1.6
71.51337	4.0
88.66344	1.6
88.98799	13.3
96.95996	2.3
97.91039	1.8
113.02593	1.7
116.94687	1.9
119.05023	77.5
122.49017	2.0
123.04547	3.0
125.02432	4.5
145.02916	5.0
150.83357	1.9
151.00327	2.7
151.04008	13.3
153.01971	11.1
162.60727	1.8
163.04010	100.0
164.04327	2.4
169.01505	2.5
211.50760	2.0
219.51437	2.1
239.46545	1.8
257.30164	2.0
303.05032	10.9
325.09271	43.2
457.07761	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07132	3.4
55.64420	3.0
59.01368	10.5
71.01362	18.3
71.53168	5.1
72.99283	3.6
74.03238	3.2
83.01395	8.7
85.02934	4.7
86.01341	3.5
87.00874	31.7
94.94862	3.4
111.00887	9.3
111.44006	3.7
115.00377	60.6
139.00359	12.4
153.01862	4.8
157.01433	32.1
175.02458	100.0
181.01456	16.9
182.01945	6.8
274.23938	3.4
295.10812	12.0
318.25925	3.6
371.12424	13.1
397.10205	4.9
429.12854	6.7
467.14670	5.2
485.15567	10.8
563.51331	3.8
574.23669	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02729	0.2
59.01384	1.7
61.98826	0.8
69.16700	1.7
71.01361	0.8
83.01355	0.2
85.02952	0.3
88.98780	0.2
89.02447	0.5
89.03961	0.3
101.02424	0.5
104.02765	0.2
105.03460	0.5
107.05022	0.5
109.02959	0.2
113.02469	0.4
117.03482	1.0
119.03507	0.2
119.05016	0.2
121.02978	0.2
123.04514	0.3
132.02180	2.2
133.02954	35.0
134.03783	1.7
135.04521	16.0
136.04851	0.3
137.02411	0.6
139.07890	0.2
145.02943	0.2
149.06169	0.2
161.02432	100.0
162.02762	2.1
177.05583	0.3
178.56537	0.2
179.03485	9.1
180.03850	0.3
182.02264	0.2
203.03517	0.7
205.12341	0.3
256.39227	0.2
263.08826	0.4
285.03964	0.2
321.12173	0.2
323.07651	0.2
338.16849	0.2
345.08286	0.2
385.22772	0.2
425.14337	0.2
426.14755	1.0
547.21796	71.7
548.22131	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
57.15384	0.7
59.01375	13.2
69.31242	6.2
71.01377	18.9
72.99306	1.5
73.02943	1.0
73.40203	0.8
83.01391	5.0
85.02940	2.5
87.00870	33.1
89.02444	0.9
96.96026	0.8
101.02453	2.0
110.99589	0.7
111.00876	7.1
113.02430	2.2
115.00366	58.6
116.65998	0.7
122.06105	0.8
127.00381	1.4
129.01917	0.8
134.99165	0.7
139.00366	15.6
151.07657	1.1
157.01416	29.6
175.02461	100.0
176.02885	0.8
182.02036	0.8
204.06572	0.8
252.89830	0.7
267.11368	1.2
280.08456	2.1
295.10846	5.8
309.12262	1.3
325.12094	1.2
327.13397	3.8
339.09875	1.6
353.11649	1.4
371.12479	10.3
371.60202	0.9
381.15021	0.9
385.13992	0.9
391.13019	1.7
397.10098	1.3
399.11597	0.8
401.13486	2.1
401.61545	0.8
429.12979	5.7
431.14624	1.0
435.11801	0.9
443.14063	1.3
467.14575	7.4
485.15604	11.3
486.16095	1.1
487.13522	3.4
511.13654	1.1
529.14990	1.6
547.15613	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	547.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14844	0.5
52.14448	0.5
57.03428	1.1
59.01377	11.4
60.61946	0.5
66.35568	0.5
70.80720	1.0
70.81015	0.6
71.01382	18.3
72.99305	1.8
73.02940	1.2
83.01383	5.1
85.02946	2.5
87.00874	33.2
89.02430	1.0
92.25645	0.6
99.00879	1.1
101.02451	1.0
110.69402	0.5
111.00876	8.1
112.98765	1.2
113.02431	2.3
115.00368	58.5
116.00687	0.9
116.92277	0.6
120.18960	0.7
122.06120	0.7
127.00385	1.6
129.01929	0.8
139.00366	14.0
151.07608	0.6
157.01413	27.9
175.02464	100.0
176.02855	1.2
181.01474	1.4
266.06650	0.8
267.11389	0.8
280.08502	2.4
281.09183	0.6
295.10876	6.5
297.12381	0.8
309.12234	1.1
323.10373	0.7
325.11874	1.6
327.13489	5.5
339.09808	1.3
353.11270	0.9
355.13327	0.7
367.13266	0.7
369.10922	0.7
371.12512	8.5
391.13016	1.4
399.12021	1.2
401.13431	1.6
429.12881	5.0
431.14645	1.3
435.11981	0.8
443.14661	1.0
449.13641	0.7
453.12842	0.9
463.52475	0.6
467.14566	6.5
485.15610	11.0
487.13690	4.0
499.13754	0.8
511.13660	1.0
529.14386	1.3
547.15735	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	546.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
61.98814	0.3
71.01375	0.3
73.02917	0.4
82.52638	0.3
83.01369	1.9
92.84441	0.3
120.01247	28.7
124.01691	0.5
124.50753	0.4
126.38889	0.3
133.02946	1.4
133.13579	0.4
135.04530	1.1
137.02359	0.8
138.03172	0.4
141.01968	0.4
150.03241	0.4
152.01111	0.7
153.01982	0.5
161.02426	5.3
163.03995	3.4
164.04813	1.0
165.01924	3.1
166.02658	1.3
177.05542	1.3
178.02722	0.5
179.03487	1.4
182.02199	5.2
183.02963	4.5
187.03983	0.4
191.03534	3.4
191.07132	0.6
192.04214	0.9
205.05042	8.7
206.09483	1.8
207.02992	2.3
215.03508	0.8
217.08665	0.7
219.06570	1.0
219.10257	0.7
221.08270	0.6
233.04538	17.2
233.08261	1.0
234.08937	1.5
235.09729	11.4
245.08185	0.8
247.06145	0.7
257.08215	0.5
261.07663	0.9
262.08441	37.6
263.09198	16.8
264.09537	0.7
275.09244	1.2
345.08246	7.4
346.08636	0.4
407.13638	0.4
425.14496	100.0
426.14786	4.9
483.22278	0.5
546.16510	1.2
547.21826	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14223	0.3
58.57991	0.4
59.01377	0.6
61.98825	0.9
67.05775	0.4
67.65524	0.4
71.00646	0.6
83.01394	1.2
85.02960	0.4
101.02405	0.4
119.05035	0.5
120.01248	20.2
121.02930	0.4
121.06679	0.5
122.27175	0.4
135.04497	0.4
137.02437	1.1
138.03192	0.8
150.03227	0.5
152.01118	0.8
153.01910	0.4
161.02428	0.6
163.03989	3.0
164.04796	0.6
165.01935	3.7
166.02669	1.3
177.05556	1.3
179.03482	0.9
179.07039	0.4
181.01439	0.6
182.02184	6.2
183.02968	6.0
189.09166	0.4
191.03540	3.2
191.07133	0.9
192.04326	0.7
195.02890	0.5
205.05032	7.2
206.09421	1.1
207.03018	1.7
207.04697	0.4
207.10034	0.4
216.03821	0.5
217.08701	1.0
219.06653	0.8
219.10249	0.8
221.08151	0.5
229.05029	0.7
233.04535	17.8
233.08226	1.0
234.08899	2.3
235.09729	11.1
235.12085	0.7
245.08188	0.5
247.06180	0.8
257.08154	0.4
259.09766	0.4
261.07611	0.8
262.08426	35.9
263.09201	17.4
275.09253	1.1
325.11984	0.4
345.08243	8.8
425.14493	100.0
426.14819	5.2
508.11755	1.1
546.16541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75172	0.2
52.57915	0.2
59.01374	0.4
61.98830	0.6
65.97387	0.2
70.86008	0.4
71.01392	0.3
73.00474	0.2
73.09167	0.2
74.16318	0.2
79.95727	2.5
82.16853	0.2
83.01366	0.4
85.02968	0.4
89.02396	0.3
96.96008	100.0
97.95927	0.3
100.30902	0.2
101.02449	0.2
109.02949	0.2
125.02419	0.7
139.04134	0.2
144.44901	0.2
145.94881	0.2
151.00354	1.4
163.28841	0.2
175.02411	0.3
178.99867	0.6
181.61897	0.2
183.02997	0.2
190.99855	0.3
191.05618	0.4
234.01743	0.6
235.02441	0.5
243.02882	0.2
251.76605	0.3
255.03009	1.5
271.02454	2.2
284.03210	0.4
285.03870	0.5
300.02747	5.0
301.03476	3.8
383.11179	0.3
397.07751	0.8
447.09311	8.6
448.09552	0.4
545.22089	1.1
564.83997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03444	1.1
58.00590	0.8
59.01376	10.8
59.01656	1.0
61.98832	1.6
66.77943	0.5
69.03468	1.1
71.01382	8.0
71.06944	1.0
72.99320	0.8
73.02952	2.1
74.28002	0.5
83.01400	1.6
83.05047	0.6
85.02943	1.7
87.00885	1.4
89.02444	8.3
93.07140	0.6
95.01449	0.6
96.96037	1.9
97.02943	1.9
101.02441	8.5
107.63898	0.6
111.08152	17.6
113.02445	4.4
119.03488	3.4
125.02460	0.7
125.54607	0.6
131.03525	0.5
137.09801	0.5
143.03525	0.8
151.00369	0.7
151.11336	1.1
153.12866	1.1
160.01678	1.0
161.04572	3.9
165.12817	0.8
166.70462	0.5
169.12312	6.2
171.10242	1.1
175.03989	1.3
179.05611	1.6
179.10786	0.8
181.12341	1.0
183.13968	0.8
193.05032	0.8
197.11823	77.7
198.12148	2.2
199.13390	4.3
209.11710	0.8
211.13376	10.1
212.13661	0.5
225.14969	1.0
227.12894	2.4
235.08218	0.7
247.20709	0.6
253.09270	45.4
254.09682	0.9
255.02980	0.7
263.20151	3.7
265.18066	2.1
271.02487	1.6
273.18689	1.4
291.19659	29.4
292.20062	1.0
300.02725	2.7
301.03421	1.7
309.20691	100.0
310.21060	4.5
320.50626	0.6
447.09158	3.5
474.28912	0.5
527.28021	0.6
544.70483	0.5
545.23059	1.1
545.30243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03443	0.7
58.00594	1.0
59.01079	0.8
59.01372	12.0
61.98819	1.1
68.78537	0.4
69.03445	1.1
71.01376	9.5
71.04055	0.4
71.53294	0.5
72.99281	0.5
73.02943	2.0
83.01375	1.3
83.05016	1.2
83.20522	0.4
85.02961	2.1
87.00883	1.2
89.02441	10.5
91.04022	0.5
95.01365	1.0
96.96019	1.1
97.06635	0.5
99.00854	0.8
101.02435	9.8
109.06580	0.9
111.07381	0.9
111.08154	17.0
113.02444	4.4
119.03496	2.9
125.02519	0.5
127.07651	0.9
131.03513	0.7
143.03493	1.2
151.11256	1.4
153.09178	0.9
153.12749	1.0
161.04535	5.3
167.10764	0.7
169.12334	5.7
171.10208	0.8
179.05568	2.2
179.10820	0.6
181.12329	1.5
183.02957	0.5
183.13895	1.2
197.11812	78.5
198.12152	1.9
199.13387	5.1
209.11879	0.6
211.13377	9.0
220.19621	0.5
227.12837	1.3
251.92810	0.4
253.09265	51.3
254.09656	1.4
262.12006	0.5
263.20129	5.7
265.18170	1.5
273.18558	1.8
274.98364	0.5
291.19644	27.2
300.02679	0.7
301.03616	0.7
309.20688	100.0
310.21005	3.4
376.36160	0.5
400.89819	0.5
427.35104	0.5
545.29846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.0
61.98820	2.5
62.91881	1.0
70.55969	1.5
70.56282	1.5
71.01367	2.7
89.02428	3.7
96.96027	1.9
101.02428	3.1
113.02433	1.1
121.13946	1.1
143.03497	1.0
161.04468	1.7
205.19612	1.6
231.17575	1.1
235.08150	1.7
249.18568	100.0
250.18863	3.8
253.09248	16.0
265.97623	1.1
291.27396	0.9
295.22729	1.0
545.29443	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19676	0.5
71.01376	0.5
71.45164	0.7
83.01390	1.8
85.02956	0.4
91.08898	0.4
93.64651	0.4
103.47334	0.4
109.58803	0.4
111.00901	0.4
115.07945	0.4
120.01245	22.2
133.02927	0.4
135.04506	2.0
136.04845	0.7
137.02472	1.1
138.03215	0.6
150.03195	0.8
153.01949	1.3
154.02287	0.5
163.04013	3.5
164.04800	0.5
165.01923	3.1
166.02686	1.1
177.05560	1.0
178.02679	0.8
179.03516	2.5
180.03773	0.7
181.01418	1.9
182.02153	4.8
183.02977	5.0
184.03290	0.8
191.03508	3.1
191.07156	0.5
192.04292	0.4
193.08578	0.5
205.05042	8.4
206.09422	2.1
207.02943	1.7
217.08669	1.3
219.06554	1.2
221.08144	0.5
229.05061	0.7
233.04527	16.7
233.08022	0.8
234.08920	1.6
235.09715	12.6
236.10181	0.5
243.09792	0.5
245.08360	0.7
257.08255	0.6
261.07617	1.1
262.08429	37.4
263.09192	15.0
271.78317	0.4
275.09360	0.6
294.44467	0.5
327.06940	0.9
328.07468	2.1
345.08261	5.0
425.14487	100.0
426.14908	5.3
457.16641	0.4
508.11484	3.0
546.16339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79432	0.2
59.01366	0.3
61.98812	0.4
62.12300	0.1
69.40453	0.6
69.40874	0.5
79.95739	2.7
81.25108	0.2
84.39034	0.1
96.96006	100.0
97.95995	0.2
109.02959	0.1
119.62137	0.2
121.02898	0.2
125.02444	0.2
131.94612	0.1
151.00366	0.6
163.00339	0.2
178.99838	0.3
193.83694	0.1
207.06725	0.2
226.38229	0.2
243.03015	0.5
245.04582	0.2
255.02899	0.9
271.02490	2.0
300.02713	4.0
301.03473	2.6
397.07657	0.3
447.09290	5.8
448.09955	0.4
545.02039	0.2
545.22577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
65.01435	0.4
68.08627	0.4
70.81853	1.1
71.01389	0.7
89.02477	0.4
96.96037	0.9
97.02941	0.6
99.00894	0.9
109.02947	6.0
111.00880	2.4
113.02464	0.4
117.03484	0.5
121.84511	0.4
123.00877	6.2
123.04545	1.0
125.02486	1.0
128.03542	0.5
132.49420	0.4
135.04507	0.4
137.02461	1.7
137.10738	0.4
139.00372	3.3
139.03996	0.8
140.01141	2.2
141.01933	8.7
143.30957	0.4
144.04622	0.5
145.02930	4.5
146.08269	0.9
148.01662	0.7
149.02441	1.3
150.28671	0.4
151.00336	3.3
151.04034	0.7
152.01151	1.4
153.01973	0.7
163.04044	1.5
164.07196	0.6
165.01900	4.4
166.02747	0.9
167.03505	3.3
177.05569	7.7
179.03609	0.7
181.05096	1.9
182.02211	0.7
183.02962	0.6
190.05008	0.6
191.03497	4.3
193.05194	0.8
206.08134	0.7
208.03748	13.7
209.04532	19.9
210.04886	0.6
249.08684	0.8
277.12314	0.6
301.07175	0.8
303.07162	9.4
304.07901	0.6
319.08139	4.3
329.08859	0.6
371.09781	29.0
372.10223	1.7
423.16092	1.5
463.12396	1.1
481.13495	21.2
482.13950	1.5
515.70776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.5
58.32557	1.2
61.98822	9.4
70.02965	3.2
71.01373	4.1
71.51448	1.5
74.02468	44.6
84.00899	3.2
84.65897	1.0
85.04073	2.5
87.05633	30.7
96.00924	1.9
96.95971	1.5
98.02483	1.3
100.00399	1.2
106.59769	1.6
111.00955	1.4
112.00391	2.1
113.03559	10.4
113.07209	51.4
114.01962	13.8
114.05595	1.4
114.17879	1.1
118.05107	6.4
123.65447	1.1
126.09209	1.3
128.03487	1.4
131.04605	15.6
139.08762	1.5
143.11876	3.1
151.05081	3.7
152.07198	4.4
161.02307	1.2
166.09825	1.5
167.08235	6.8
168.07809	1.8
169.04895	1.4
169.06161	1.9
169.09796	5.6
171.04068	1.4
171.07680	1.3
179.03487	1.3
181.13431	5.0
187.10957	1.3
200.14017	15.4
209.12894	10.4
210.08812	4.4
210.12483	2.0
211.07208	3.5
222.16142	2.5
226.12019	1.8
226.15601	6.3
227.13963	3.8
228.09903	3.1
240.17133	9.0
244.12993	1.5
253.80081	1.0
266.14996	4.1
270.10974	1.7
272.11172	1.2
283.17722	1.8
284.16196	8.0
292.16904	1.6
297.19296	22.3
298.19659	1.5
306.14438	1.5
323.20844	8.1
328.18652	1.5
341.18265	60.2
342.18445	2.3
381.17795	4.6
385.20883	29.6
386.21121	2.2
399.18689	6.0
407.19214	2.6
429.23468	30.7
430.23755	2.3
439.17960	1.5
443.21469	10.8
456.20908	10.7
471.05496	1.2
483.21036	3.5
500.23599	45.5
501.24033	1.9
508.20639	1.2
526.25037	1.6
527.23743	3.4
544.26215	100.0
545.26288	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96768	0.6
55.08353	0.7
65.00321	10.5
69.75880	3.2
81.03453	8.4
83.01383	20.3
98.19938	0.9
99.00903	0.7
109.02950	6.3
111.00848	4.3
121.02953	0.9
125.02443	4.1
135.00874	1.6
136.98793	11.4
137.02434	2.1
139.00444	1.0
139.04002	0.9
141.01927	1.7
142.47289	0.7
153.01932	44.6
165.01918	4.6
165.99057	0.7
177.96001	0.7
181.01431	2.9
182.02199	63.7
183.02966	66.8
184.03311	1.7
185.25447	0.7
195.03009	1.8
197.00908	11.1
345.08231	100.0
346.08517	5.1
375.12158	0.9
468.50540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	13.6
61.98815	1.0
79.43336	0.2
88.00407	0.6
88.98799	100.0
89.02438	3.4
89.99136	0.5
97.47816	0.2
118.64955	0.3
125.02404	0.4
169.01352	0.7
198.98358	0.2
223.02467	0.4
249.03877	0.3
290.04208	0.3
291.05078	1.0
308.27829	0.3
453.10278	0.8
541.19391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78716	1.4
56.95155	1.3
61.98833	2.8
62.46856	1.3
65.00314	1.7
69.10631	1.4
70.26827	2.6
70.27175	4.7
81.03468	1.9
83.01385	5.0
83.06956	1.5
93.03466	1.6
99.00860	2.1
107.05033	1.9
109.02951	5.4
111.00864	3.9
121.02939	2.7
133.02928	4.7
134.03693	3.8
135.04518	86.7
136.04793	1.4
136.98810	2.0
137.02460	7.3
139.00375	2.8
141.01904	3.8
153.01933	36.6
153.05565	3.8
165.01924	5.3
166.02708	1.6
166.99886	1.7
167.03482	2.3
179.03484	42.0
181.01421	55.6
182.02200	54.1
183.02968	59.8
195.02864	1.7
207.02954	2.6
249.03850	1.7
267.53537	1.5
312.29224	1.5
327.07181	79.8
328.07550	4.1
345.08200	28.0
352.02655	1.4
507.11386	100.0
508.11765	5.4
543.21082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71931	0.5
59.59132	0.5
61.98825	14.0
61.99125	1.0
65.00333	0.9
67.01883	0.6
69.03456	1.1
69.47581	1.8
69.48013	1.7
71.01392	1.2
71.91113	0.6
77.03979	0.7
81.03458	2.1
83.01382	4.8
85.02940	0.8
91.05553	0.8
93.03465	1.4
97.02953	1.1
97.09973	0.5
99.00898	2.9
106.04208	0.8
107.05036	3.0
109.02937	5.9
111.00852	3.2
111.04598	0.6
111.05338	0.5
112.34223	0.5
117.03496	0.7
121.02936	1.6
124.01659	1.1
125.02428	1.2
133.02991	3.2
134.03760	3.1
135.04518	94.5
136.01869	0.5
136.04878	2.0
136.98819	3.0
137.02434	6.9
139.00369	3.0
139.03975	0.7
140.01157	0.8
141.01933	3.5
151.03996	1.5
153.01927	38.3
153.05481	2.6
154.02312	0.6
161.02480	0.9
163.03998	1.1
165.01933	7.2
165.99042	0.6
166.02675	1.8
167.03510	1.6
167.63095	0.5
179.03494	45.9
180.03838	1.1
181.01421	61.0
182.02200	52.1
183.02975	55.2
184.03343	0.7
186.01778	0.5
193.05035	0.7
195.02989	1.1
203.03497	1.1
207.02977	2.7
214.97127	0.5
220.05409	0.5
225.04041	1.7
233.00929	1.2
234.01494	1.2
235.02623	1.1
249.04022	1.6
270.86356	0.6
285.03674	0.6
285.06412	1.1
309.06174	0.6
327.07178	82.7
328.07428	3.0
345.08246	13.9
379.06729	1.0
397.07654	1.5
423.08923	0.8
465.10175	0.7
507.11383	100.0
508.11636	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	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06733	0.4
54.13453	0.4
57.03461	0.5
59.01391	0.6
61.98827	13.0
69.03458	1.7
69.25956	4.0
71.01379	1.0
71.41420	0.4
77.03973	1.2
81.03484	0.5
83.01393	2.5
87.00932	0.5
95.01411	1.0
95.87446	0.4
97.02941	1.4
97.96358	0.5
98.67274	0.4
99.00885	1.9
109.02981	0.8
110.00076	1.9
110.74009	0.4
111.00107	0.6
111.00855	3.6
121.02978	2.5
123.00888	1.1
123.04469	0.6
125.02431	0.8
130.40585	0.4
137.02437	7.4
139.00351	4.2
139.04002	1.2
140.01131	0.9
141.01933	4.6
151.03984	1.1
153.01941	6.3
155.03563	0.8
159.22791	0.4
163.57857	0.5
164.01225	0.5
165.01926	8.7
165.99083	3.8
166.02641	0.8
166.99840	1.6
167.03381	0.8
177.01920	1.0
181.01434	8.4
182.02200	100.0
183.02971	94.7
184.03346	1.9
194.02219	1.3
195.02988	2.2
213.14876	2.3
225.03992	0.7
287.97534	0.4
327.07224	1.8
331.09888	0.5
345.08249	3.0
401.28064	0.5
407.14597	0.5
523.22046	0.8
541.22870	93.1
542.23260	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
61.45242	0.3
61.98828	0.7
65.00311	0.9
68.99815	0.5
69.03432	1.1
70.89670	0.9
71.01379	1.2
73.51635	0.4
74.21509	0.4
77.03951	1.2
81.03442	1.0
83.01376	5.0
85.02936	1.2
93.03454	0.9
95.01370	1.1
97.02946	1.5
99.00869	1.6
106.91161	0.4
109.02940	4.7
110.00089	1.2
111.00874	4.2
111.04512	0.6
113.02406	0.7
121.02966	3.0
123.00863	1.3
125.02430	1.3
127.03995	0.6
135.00877	1.2
136.98843	3.1
137.02446	9.5
139.00362	4.1
139.04042	1.8
140.01131	1.1
141.01935	4.3
149.02475	0.4
150.03194	0.6
151.03992	1.1
153.01930	42.5
154.02359	1.0
155.03473	0.5
163.03975	1.1
164.01114	0.6
165.01930	9.2
165.99080	2.3
166.02647	1.8
166.99849	1.6
167.03477	1.7
177.01956	0.9
179.03404	0.6
181.01424	63.5
182.02202	100.0
183.02966	97.6
183.13889	2.1
184.03299	1.6
186.01677	0.7
189.02058	0.4
193.05028	0.8
194.02203	0.8
195.02985	2.7
195.13864	2.6
206.02164	0.5
207.02985	3.5
209.04575	0.6
213.14952	6.1
221.04544	0.6
225.04033	1.4
237.04053	1.0
249.04051	1.5
252.10030	0.5
285.06241	0.8
309.06158	0.6
327.07181	80.8
328.07501	2.9
345.08237	88.2
346.08618	3.2
410.91910	0.4
541.22998	34.7
542.23578	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98822	3.3
62.21610	1.4
64.46352	1.3
68.99793	1.2
70.02439	1.3
78.95942	1.2
83.01404	3.1
97.02974	1.5
97.20044	1.3
110.00142	1.5
111.00903	3.9
111.07240	1.2
121.02991	2.7
130.19989	1.2
135.14020	1.3
137.02402	9.1
139.00420	2.2
141.01929	2.2
153.01900	11.9
153.26768	1.5
165.01904	12.8
165.99069	2.6
167.03453	1.7
179.03574	1.8
181.01414	23.3
182.02196	100.0
183.02968	94.1
184.03343	2.6
189.05556	8.7
195.02901	2.2
207.03020	1.7
208.03856	1.5
213.05515	9.7
213.14987	3.0
233.04529	2.2
235.09891	1.7
257.04782	1.7
262.08493	6.5
263.09149	2.5
327.07196	25.4
328.07843	1.8
335.12924	4.9
345.08224	27.6
345.12143	2.4
346.09006	1.4
363.23975	1.6
371.09833	1.5
379.11816	9.3
419.34784	1.6
425.14471	9.6
437.25531	1.4
523.22162	3.9
541.22974	78.8
542.23486	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	539.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
61.98830	1.2
69.03458	0.3
69.42234	0.2
71.01382	2.2
71.52792	0.3
72.99292	0.2
73.02946	0.6
83.01376	0.6
85.02923	0.9
87.00851	0.4
89.02435	2.6
89.25150	0.2
95.01391	0.5
96.87150	0.3
96.88588	0.2
98.75223	0.3
99.00876	0.3
101.02437	2.9
109.02933	0.4
113.02440	1.4
117.03422	0.5
119.03509	0.6
119.05033	0.3
122.95210	0.2
125.02422	0.4
128.03520	0.3
133.86119	0.3
145.02951	1.8
145.58458	0.3
153.01949	0.5
160.78752	0.3
161.02390	0.3
161.04608	1.2
161.05791	0.3
163.03992	1.4
165.01974	0.5
167.03398	0.4
167.14339	0.5
179.03448	0.3
181.01398	0.9
182.02199	1.1
183.02943	0.9
183.13911	5.4
193.01418	0.3
193.12340	1.5
194.02260	0.3
208.03674	0.3
209.09294	0.2
211.13379	100.0
212.13716	3.2
216.57913	0.2
235.08182	0.6
253.09268	11.7
254.09618	0.4
285.03937	0.7
306.07690	0.4
307.08273	0.4
345.08279	0.9
357.08530	0.7
377.12521	0.4
447.22299	11.8
448.22580	1.0
539.22144	1.5
539.28674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54067	1.6
59.01371	2.8
61.98822	9.3
69.33074	4.3
69.33479	10.4
71.01408	2.4
74.02451	3.2
78.95895	5.8
80.96519	16.1
94.98064	3.9
96.95976	2.2
99.05649	3.5
119.60890	1.8
128.03523	9.8
143.04619	13.2
143.12999	2.0
148.11043	2.2
160.00732	4.4
164.98534	2.6
179.04605	4.0
183.03247	1.8
210.08722	2.6
214.04733	2.2
225.00703	3.4
241.75642	2.2
254.07773	2.4
272.08826	6.5
279.23273	100.0
280.23608	3.8
306.07541	9.8
374.33813	1.8
476.27747	30.7
477.28046	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	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05339	0.5
57.03443	0.7
57.84010	0.5
59.01381	0.9
61.98837	1.1
69.03466	0.9
71.01386	2.3
77.03979	0.8
82.24204	0.5
82.95384	0.7
83.01376	5.7
85.02963	1.0
93.03487	0.8
95.01398	1.3
97.02940	2.8
99.00880	7.0
109.02946	1.0
110.00156	0.9
111.00883	5.2
111.04496	1.0
115.03980	0.6
121.02964	1.3
123.00877	1.0
123.04517	0.6
125.02444	0.9
137.02412	4.7
139.00343	3.0
139.04012	2.3
140.01180	2.4
141.01913	9.6
151.04007	0.8
151.11288	1.9
153.01945	7.5
154.02686	0.8
165.01939	6.5
165.99078	2.7
166.99834	1.2
167.03485	1.2
169.12343	5.6
181.01410	5.9
182.02197	77.4
183.02968	80.2
184.03337	1.7
186.01675	2.0
194.61522	0.6
195.02928	1.5
206.38361	0.6
208.03720	0.9
209.04555	0.8
213.11334	2.1
225.04016	0.7
237.03764	0.6
279.12433	0.7
327.07098	1.0
345.08127	1.3
371.09741	0.8
425.14618	0.8
497.20248	0.8
499.18127	1.6
541.19159	100.0
542.19501	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.6
67.01885	0.3
68.99819	0.3
69.03452	1.3
71.01379	0.8
77.03977	1.1
79.01895	0.2
81.03465	0.6
83.01378	2.3
85.02957	0.6
93.03453	0.6
95.01393	0.9
96.99345	0.3
97.02980	1.3
99.00884	1.4
108.02135	0.4
109.02969	0.9
110.00085	1.5
111.00877	3.4
111.04495	0.4
113.02415	0.3
121.02942	1.7
123.00843	0.5
123.04528	0.4
125.02455	0.4
127.03960	0.3
129.01958	0.3
135.04556	0.2
136.98827	0.5
137.02440	6.4
139.00377	3.7
139.03978	1.4
140.01155	1.4
141.01953	4.0
151.04005	1.0
153.01949	4.9
155.03493	0.4
163.04066	0.3
164.01096	0.4
165.01920	8.7
165.99071	2.9
166.02673	0.7
166.99834	2.3
167.03494	0.8
175.03729	0.3
177.01944	0.4
179.03459	0.6
181.01431	8.5
182.02200	100.0
183.02966	85.3
183.13911	0.3
184.03294	1.8
193.05049	0.4
194.02200	1.2
195.02998	1.8
195.13834	0.3
207.02950	0.5
213.14993	1.7
225.04092	0.7
229.48447	0.2
327.07230	1.4
345.08231	0.7
378.12933	0.2
523.22076	0.4
541.22876	91.6
542.23218	7.4
542.30298	0.2
555.13800	0.2
561.06592	0.3
568.65295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2129
Annotation	Erizomycin
Peak:m/z	Relative Intensity
54.02293	0.2
59.01369	0.8
61.98820	0.5
62.51057	0.2
65.00303	0.5
67.01887	0.3
68.99815	0.7
69.03461	1.8
69.18204	2.1
71.01375	0.9
77.03954	1.4
80.02674	0.2
80.26419	0.2
81.03446	0.7
83.01375	2.5
85.02947	0.6
87.00891	0.2
93.03464	0.6
95.01351	1.1
95.05006	0.5
97.02931	1.6
99.00869	2.1
99.04510	0.4
108.02206	0.5
109.02939	1.3
110.00071	1.8
111.00882	3.5
111.04514	0.6
113.02441	0.5
121.02950	2.6
123.00877	0.6
123.04488	0.6
124.01706	0.3
125.02457	0.8
133.02951	0.3
133.37904	0.2
136.01678	0.4
136.98799	0.8
137.02435	8.4
139.00371	3.3
139.03975	1.4
140.01170	1.6
141.01935	5.0
151.03964	1.2
153.01926	5.9
155.03476	0.6
163.04001	0.4
164.01172	0.7
165.01920	9.7
165.99078	3.5
166.02647	0.8
166.99835	1.8
167.03484	0.8
177.02002	0.5
179.03462	0.6
181.01418	9.3
182.02190	100.0
183.02959	94.3
184.03296	1.8
186.01642	0.4
193.05048	0.4
194.02180	0.9
195.02959	2.2
207.02975	0.8
211.13393	2.0
225.04048	0.7
237.04037	0.3
249.04121	0.3
260.06522	0.2
267.12308	0.3
291.06732	0.3
297.91891	0.3
327.07306	1.8
345.08231	0.6
521.19788	0.3
539.21265	92.8
540.21594	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	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72153	0.4
55.85087	0.4
57.03438	0.5
59.01363	1.3
59.37914	0.5
61.98822	1.0
65.00315	0.5
69.03461	0.4
69.45193	2.9
71.01366	0.8
78.95901	0.9
83.01374	5.6
83.05027	0.6
85.02943	0.6
89.14098	0.4
93.03442	0.8
95.05039	0.5
97.02914	0.9
98.20638	0.5
99.00862	1.5
110.00072	0.6
111.00838	0.5
119.04987	1.4
122.03725	0.6
123.00896	0.8
124.01620	1.3
125.02419	0.6
130.73875	0.4
133.06593	0.6
135.04459	1.1
137.02391	1.8
138.03198	0.6
141.01941	6.9
143.05084	0.7
149.02443	0.7
150.03232	1.1
152.01112	1.2
152.99573	0.8
153.01888	1.8
159.04480	0.4
161.02399	2.3
161.06030	0.9
162.02727	0.9
163.02820	0.5
163.04019	5.0
164.04720	1.7
165.01913	4.9
166.02637	1.4
167.03543	0.7
170.02141	0.9
175.04013	0.6
176.04774	0.8
177.05620	2.5
178.02664	0.6
179.03497	2.5
181.01363	2.2
181.12376	0.5
182.02188	3.4
183.02934	3.8
187.03987	1.3
191.03471	6.5
191.07053	0.7
191.14465	0.5
192.04155	0.8
195.03011	0.6
197.11742	0.9
201.05493	1.4
203.03702	0.4
203.07092	0.6
205.03098	0.5
205.05028	9.5
207.03011	4.4
207.04913	0.8
211.13362	0.9
215.03467	0.8
219.02980	1.0
219.06566	2.0
229.04985	1.3
233.04532	15.3
234.04921	0.7
247.06009	1.7
248.06921	0.7
249.14957	0.6
261.07639	1.0
261.14780	0.8
273.14761	0.6
275.12778	0.8
289.14395	1.3
291.06506	1.1
292.13223	0.5
293.13968	4.4
293.21112	0.5
297.14899	0.5
305.13910	5.9
307.15430	2.5
311.22208	2.9
315.16058	0.5
317.13858	0.8
319.15097	0.5
327.06799	0.5
331.15393	1.1
332.16116	0.6
333.13361	6.6
334.14139	2.6
335.15076	3.1
345.08075	0.5
347.14954	2.8
348.15530	0.8
349.16516	3.6
359.14926	1.6
375.14261	0.6
376.15213	27.1
377.15860	14.2
495.13242	0.6
497.20227	1.2
539.21173	100.0
540.21643	5.4
553.33997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36247	0.3
57.03448	0.4
59.01378	1.8
61.98845	0.4
65.00313	0.4
69.03466	0.5
71.01368	1.3
75.00873	0.6
79.01897	0.4
81.03448	0.6
83.01376	2.7
85.02943	0.8
88.98827	0.6
97.02930	0.7
99.00872	2.0
101.02454	0.7
108.02154	0.7
109.02950	9.8
111.00858	2.0
113.02441	1.3
116.56699	0.4
121.02937	0.7
123.00890	0.4
123.04526	1.6
125.02433	1.0
129.01875	0.4
133.62909	0.3
134.03740	2.2
135.04509	3.2
136.98793	0.6
137.02451	3.2
139.00372	1.5
139.03969	0.9
140.01151	1.3
141.01932	10.8
148.05292	0.4
149.02391	0.8
149.06059	1.9
151.00343	0.5
151.03955	0.5
152.04776	1.1
153.01932	10.8
161.02405	1.4
161.06027	0.5
163.00314	0.4
163.03894	0.5
163.07607	0.5
165.01913	9.1
165.05626	0.5
165.99094	0.4
166.02585	0.6
167.03485	9.6
172.05269	0.9
173.06143	0.4
175.03920	0.6
179.03488	13.6
180.03978	0.7
181.01416	14.3
181.04909	2.0
182.02200	19.4
183.02971	19.0
184.03481	0.4
187.04013	0.6
187.07536	0.8
189.05582	0.6
190.06319	0.6
191.03464	0.4
191.07014	0.7
193.05020	1.2
194.02176	0.6
195.02995	7.5
196.03696	2.7
203.03525	0.4
205.08672	0.6
207.02994	11.9
207.04848	0.4
208.03752	5.3
209.04559	3.1
211.06105	0.5
211.13307	0.4
213.05620	0.4
228.07808	0.4
229.08598	0.7
231.02731	0.5
231.06674	0.5
233.04457	0.5
233.08119	0.6
245.04652	0.4
245.08083	0.5
247.09758	0.9
249.07695	0.6
256.07306	0.5
261.07648	0.4
269.36591	0.4
271.09613	0.9
272.06989	0.4
273.03915	0.5
273.07648	0.6
274.04779	1.5
287.09259	0.9
288.06213	0.4
289.07202	9.2
290.07892	0.4
291.08676	0.5
299.05591	0.4
300.06174	0.4
302.04285	0.8
303.07309	1.1
315.08798	1.0
316.05637	0.4
317.06619	6.3
318.06790	0.4
323.07495	0.4
327.07144	0.7
332.08981	30.2
333.06055	0.5
333.09552	2.6
335.07666	0.5
345.08234	13.7
346.08575	0.4
358.07089	0.5
371.09799	4.6
376.07919	8.8
377.08627	4.6
438.99417	0.4
495.15479	0.5
497.13187	1.7
503.11630	0.3
521.13080	0.4
539.14026	100.0
540.14410	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	539.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70831	2.1
59.01378	6.7
61.98806	4.6
69.76128	9.1
71.01367	4.9
72.99304	6.8
75.00867	58.5
89.02451	7.3
98.20668	2.1
101.02445	4.7
105.01945	6.7
117.01943	3.6
135.02994	100.0
135.85564	2.4
167.56747	1.9
178.20473	2.2
182.02196	19.5
183.02930	14.5
233.35666	2.0
275.07108	19.6
303.06577	27.1
303.10028	3.4
304.11078	10.3
315.06659	11.5
315.09946	2.7
316.48965	2.0
329.04483	7.8
331.06198	4.1
332.10434	4.0
333.11255	47.9
342.05139	2.7
343.06311	4.7
345.11154	22.9
347.09143	9.0
359.09210	62.8
359.13492	4.4
360.09482	3.4
361.10760	32.2
372.09915	17.5
373.10742	26.2
374.11475	3.1
375.12299	6.8
376.68167	2.1
387.12299	2.5
389.10294	32.6
391.11816	6.4
399.08572	4.8
403.11816	45.7
404.11938	3.7
417.09683	3.8
419.11292	52.4
421.12961	20.8
449.12378	6.6
463.13959	4.0
463.64761	2.2
479.13492	44.1
480.13358	4.8
489.11966	6.0
507.13086	23.7
508.13089	3.7
539.14734	32.3
539.21655	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	539.2133
Annotation	Tinosposinenside C
Peak:m/z	Relative Intensity
55.69256	0.3
57.03433	0.4
59.01367	1.3
61.98828	0.7
63.72694	0.2
65.16896	0.3
69.60793	0.3
69.96078	0.3
71.01365	0.8
71.21671	0.4
83.01381	5.9
83.04998	0.3
85.02945	1.0
89.02450	0.4
91.05534	0.4
91.18208	0.3
93.03458	0.6
95.01415	0.3
97.02937	0.4
99.00888	2.2
101.03999	0.4
104.94230	0.3
107.05032	0.3
110.00104	0.6
111.00840	0.5
113.02420	0.4
117.03463	0.3
119.05010	0.8
123.00871	0.9
124.01646	1.3
133.06584	0.5
135.04488	0.5
137.02423	1.5
138.03229	0.9
139.00391	0.4
139.04012	0.3
139.70418	0.3
141.01945	7.0
143.05022	0.9
147.60126	0.3
149.02417	0.5
150.03198	1.0
152.01140	1.1
153.01945	1.4
161.06070	0.8
163.04013	5.1
164.04744	1.3
165.01926	4.9
166.02695	1.4
167.03473	0.6
170.02184	1.0
172.00125	0.5
173.05879	0.3
175.03922	0.4
177.05559	2.8
178.02724	0.7
178.77823	0.3
179.03506	2.5
181.01431	2.1
182.02190	2.9
183.02991	2.8
187.03937	0.7
191.03503	5.3
191.07185	0.7
192.04135	0.3
194.02094	0.4
195.02940	0.9
198.01814	0.3
201.05554	1.2
205.05040	8.8
206.02147	0.4
207.02979	3.5
207.05031	0.7
215.03511	0.4
217.01437	0.4
219.02997	1.0
219.06563	1.9
219.10094	0.3
220.03712	0.4
229.05063	1.7
233.04538	13.8
233.08235	0.6
245.15393	0.5
247.06000	1.8
247.13382	0.7
248.06905	0.6
249.14944	0.8
259.13574	0.5
261.07690	0.7
261.14902	1.2
271.13574	0.6
273.14896	0.7
275.12875	0.6
287.12930	0.4
289.14365	1.1
291.06561	1.2
291.15915	0.6
293.13992	5.3
305.13940	6.8
307.15530	2.0
315.12418	0.4
317.13867	1.1
331.15540	1.1
332.16287	1.0
333.13419	6.0
333.16934	0.4
334.14157	2.5
335.12003	0.4
335.15521	2.5
347.14902	2.8
348.15585	0.7
349.16507	3.2
359.15002	1.9
375.14548	0.6
376.15231	26.5
377.15973	13.5
378.16296	0.5
419.16684	0.3
497.20456	1.0
521.20490	0.3
539.21295	100.0
540.21606	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	539.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56320	0.5
55.84826	0.5
56.05456	0.5
59.01379	4.7
60.99298	1.1
61.98821	1.6
64.25172	0.6
69.03450	1.6
71.01357	0.9
71.52536	0.7
81.03421	1.0
83.01385	4.1
85.02967	1.1
88.98799	6.1
89.99125	0.9
90.99217	1.6
91.21152	0.6
93.03417	0.7
95.01389	1.4
97.02937	1.4
99.00875	1.4
101.02443	1.0
108.02181	1.1
109.02926	2.5
110.00099	0.8
111.00880	2.5
113.02518	0.6
117.80463	0.6
118.75214	0.6
121.02945	1.3
123.00887	0.9
125.02456	1.3
132.76888	0.6
133.02936	0.7
134.03723	2.0
135.00829	0.8
135.04486	2.8
136.01656	18.1
136.98782	2.2
137.02437	6.1
139.00389	1.5
139.04007	1.6
140.01132	1.2
141.01933	4.8
149.06096	0.7
151.00412	0.7
151.03999	22.4
153.01923	27.1
161.02402	2.6
165.01918	8.7
165.05573	0.7
165.99078	1.9
166.02692	1.2
166.99886	1.8
167.03482	1.6
174.57872	0.7
175.03989	0.9
179.03488	2.7
181.01414	37.8
182.02196	90.7
183.02962	98.3
184.03326	1.5
193.05014	0.8
194.02242	0.7
195.02960	2.4
207.02913	2.4
211.06082	5.5
220.56903	0.6
221.39557	0.6
225.03996	1.0
237.38417	0.5
300.02701	1.8
301.03372	1.7
302.03253	1.4
303.03989	0.8
327.07193	52.8
328.07413	1.9
345.08228	100.0
346.08624	4.6
387.09277	27.9
388.09662	1.3
447.09265	1.2
449.09830	4.0
464.95078	0.6
466.04056	0.6
503.11987	1.5
521.13104	2.0
538.32898	0.7
539.13989	4.9
539.21326	2.4
539.34192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38187	0.7
59.01376	0.7
61.98836	3.1
62.70356	0.7
71.01346	0.8
83.01343	1.0
86.80493	0.6
90.78290	0.6
91.35468	0.6
97.66087	0.7
113.51182	0.6
128.03560	1.0
137.02400	1.0
145.02991	0.6
153.01808	1.0
165.01866	0.9
182.02226	7.4
183.02934	7.7
247.07628	8.3
262.06329	6.4
269.21292	0.8
275.07150	1.4
290.05872	2.4
291.06616	100.0
292.06927	4.5
297.57495	0.7
306.07724	0.8
315.06589	0.9
333.07578	1.9
334.07587	0.8
364.37589	0.7
367.11432	0.7
453.11725	3.9
495.12939	60.7
496.13239	5.3
539.20898	8.4
540.20770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04549	0.3
59.01110	0.3
59.01381	1.4
66.69558	0.3
69.03446	0.3
71.01353	0.6
71.44460	0.4
78.95867	0.3
81.03448	0.6
83.01373	2.3
85.02956	0.5
85.84078	0.3
85.87524	0.3
89.02414	0.5
91.01907	0.5
92.80029	0.3
93.03466	0.5
95.01439	0.3
97.02956	0.4
107.01381	0.4
108.02177	2.0
109.02945	64.8
110.03269	0.9
111.00871	0.4
119.05044	0.6
121.02962	0.6
123.00877	0.4
125.02437	2.4
134.54633	0.3
135.00859	0.5
135.04494	1.0
137.02440	7.6
138.03223	2.3
139.03973	0.6
141.01936	0.6
147.04523	0.4
149.02431	0.6
150.03221	2.0
151.00378	1.5
151.04013	0.6
153.01939	2.3
161.02393	0.7
163.00334	1.2
163.03981	1.4
165.01920	35.1
166.02719	1.9
167.03464	1.5
168.00620	0.3
169.01407	0.7
170.02165	0.6
173.02301	0.3
177.01842	0.4
178.02686	1.0
179.03484	7.7
180.04135	0.4
181.01457	2.0
181.12326	0.3
182.02216	2.4
182.30162	0.3
183.02965	3.2
189.01910	0.8
190.02661	0.3
190.99847	0.8
191.03514	1.6
192.00607	0.7
193.01401	11.2
193.05051	0.5
194.02187	1.7
195.03021	1.6
203.03389	0.6
205.01414	2.1
206.02159	2.5
207.02971	13.7
208.03531	0.6
211.13391	5.5
216.94104	0.4
217.01338	0.7
218.99323	2.7
219.02879	0.5
221.04485	1.1
222.01642	1.4
222.05331	0.4
223.02367	0.5
223.06076	0.8
234.01669	20.4
235.02449	26.8
236.02750	0.6
237.03993	1.2
239.05629	4.3
242.92438	0.3
247.02417	0.4
249.04024	0.7
250.04985	0.4
253.09163	0.6
261.03976	0.5
265.03488	1.4
266.04279	65.2
267.05042	25.3
268.05322	0.7
279.05185	0.7
282.40695	0.3
285.03943	0.5
291.05133	0.4
303.05020	7.7
317.06613	0.5
345.08267	1.7
353.08905	0.3
376.07938	9.3
377.08722	8.2
397.07727	3.7
411.09174	1.2
429.10318	100.0
430.10715	5.4
447.22015	0.7
539.13892	40.6
540.13928	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	539.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.7
61.98827	7.4
69.56172	1.6
69.56573	4.3
71.01380	3.1
73.02924	1.1
88.98789	2.2
89.02451	1.9
101.02422	1.5
110.14374	0.9
125.02451	1.4
133.02948	4.7
134.03722	2.7
135.04523	91.3
136.04813	1.9
151.00333	1.5
161.02440	21.4
168.00673	1.2
175.03940	1.7
179.03490	100.0
180.03773	2.5
182.02118	1.9
183.02948	2.8
203.03522	9.0
211.56380	1.0
218.57953	1.0
323.07733	3.7
341.08835	3.6
345.08215	3.9
377.28729	1.0
389.04282	0.9
407.10461	1.0
503.11905	41.5
504.12140	2.7
539.20557	2.6
539.34393	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	539.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
65.00325	17.0
67.26604	0.7
70.80147	0.7
70.80493	2.1
71.01398	0.7
81.03455	8.7
83.01384	31.0
83.76794	0.7
88.81242	0.7
108.99335	1.4
109.02954	0.7
111.00882	6.3
125.02427	4.4
133.02969	5.4
135.00891	4.2
135.04517	1.7
136.98799	20.5
153.01938	100.0
154.02278	2.5
161.02440	21.9
162.02655	0.8
179.03488	4.5
197.00903	47.6
198.01347	0.8
239.03273	0.7
323.79547	0.7
341.08777	12.3
381.53204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29537	0.2
57.03449	0.4
59.01386	0.7
61.98826	40.7
65.00322	0.5
69.37945	0.5
69.38366	1.4
71.01378	0.4
75.75321	0.2
75.97550	0.2
81.03454	3.4
83.01383	1.2
88.98806	0.7
89.02447	0.3
95.05021	0.5
107.01392	0.7
109.45501	0.2
117.03475	1.0
119.05025	0.7
123.04517	22.4
124.04819	0.3
125.02426	3.6
143.04648	0.2
144.13486	0.2
145.02940	5.0
149.02388	0.5
151.00357	1.6
163.03979	1.0
167.03481	100.0
168.03796	2.0
182.02200	0.3
183.02863	0.3
191.03513	0.4
196.16304	0.2
211.13419	1.1
221.04597	0.3
231.79691	0.3
306.07584	0.3
307.08185	2.5
311.07669	1.3
329.08624	0.2
329.95929	0.2
341.57285	0.2
345.08066	0.3
434.15881	0.2
448.09875	0.2
475.12408	18.5
476.12878	1.2
537.31995	0.8
538.32098	0.5
539.21027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33799	0.4
61.98829	56.9
64.94180	0.4
65.00333	0.5
69.31084	3.4
75.77547	0.4
76.31315	0.4
81.03437	2.4
83.01395	1.2
95.05093	0.4
121.01237	0.4
123.04520	22.0
123.11431	0.5
125.02435	5.2
139.03969	0.4
140.23965	0.4
149.02452	0.7
151.00381	1.4
166.05052	0.7
167.03487	100.0
168.03838	1.8
182.02216	0.9
183.03011	0.7
184.57152	0.4
191.03461	0.9
209.02678	0.9
209.04439	0.8
284.05585	0.5
285.06458	0.7
286.06738	0.5
313.06030	2.4
314.06573	1.5
345.08157	0.7
371.07904	1.0
456.53915	0.4
475.14542	46.8
476.14380	2.3
502.11606	0.6
520.12646	1.2
538.13483	2.6
551.93567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03294	0.8
56.90737	0.7
58.60736	0.6
59.01379	19.3
61.98831	100.0
65.33701	0.8
69.26646	4.8
69.27059	1.2
71.01398	0.9
83.01391	0.8
88.74976	0.7
88.98823	1.4
89.02443	1.1
93.03461	10.2
101.02460	1.2
110.32500	0.7
121.02982	2.9
128.03525	1.1
133.02956	5.0
134.03305	1.3
135.04562	2.3
137.02438	15.9
147.04504	1.1
149.02502	1.1
151.04108	0.9
153.01933	5.0
161.02443	17.6
162.02809	6.0
164.93280	0.7
165.01987	0.9
167.03488	1.0
171.79897	0.7
181.01431	10.4
182.02222	8.6
183.02972	6.9
207.03043	1.0
227.07043	4.9
253.09599	0.7
281.06702	6.9
283.11072	2.1
323.07831	2.5
327.07217	17.5
345.08301	1.1
375.20453	2.8
376.20493	4.1
379.06946	0.8
448.09814	0.8
462.16782	1.5
475.12585	2.3
494.19791	2.3
538.24091	5.6
539.14526	0.9
539.21039	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	538.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.01371	4.3
61.98829	100.0
71.01328	1.8
71.53254	2.2
74.31208	1.7
83.01386	3.7
87.90438	1.8
88.98806	3.1
97.02940	2.4
109.02919	3.1
111.00893	1.9
116.95281	1.9
125.02482	3.4
128.03575	2.4
133.02933	2.2
137.02422	8.1
139.04039	2.8
141.01897	3.1
143.04654	3.3
147.04524	6.7
151.03893	2.4
153.01939	28.3
161.02409	4.1
165.01891	6.3
167.03426	2.9
181.01431	41.0
182.02200	60.9
183.02971	56.3
194.12772	2.0
207.02966	3.2
209.11819	2.4
211.13501	1.9
225.04060	2.7
257.76550	1.8
306.07675	2.9
327.07217	88.3
328.07599	3.3
345.08282	3.8
397.47958	1.9
441.14011	4.5
458.70758	1.8
459.14709	1.9
475.12549	21.1
500.11111	2.0
538.19788	13.2
539.21161	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	537.3069
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01378	100.0
71.52110	1.5
78.95901	2.4
88.98796	3.0
121.18491	1.5
152.99663	2.2
171.10275	9.8
182.02196	2.1
183.02913	2.8
184.89612	1.5
211.13319	2.7
233.15459	2.4
249.14912	4.6
267.99490	1.6
385.23831	2.7
422.03821	1.4
447.09290	1.5
459.27579	15.2
460.27722	1.6
477.28452	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	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39522	0.1
55.01876	0.2
57.03444	0.6
59.01378	1.9
60.99302	0.5
61.98827	1.0
65.03974	0.3
68.99814	0.2
69.03443	0.2
70.66682	0.2
70.67032	0.3
71.01386	3.0
72.99284	0.3
73.02938	0.6
75.00877	0.6
83.01378	0.9
85.02947	1.8
87.00874	0.6
88.98804	3.4
89.02457	1.0
93.03456	40.0
94.03775	0.2
95.01369	0.8
97.02962	0.5
99.00863	1.0
101.02447	1.3
107.05058	0.3
108.02159	0.8
111.00880	1.3
113.02426	0.9
117.03421	0.2
119.05029	0.2
121.02962	0.7
123.00851	0.2
123.04488	0.4
125.02400	0.3
128.03560	0.2
129.01944	1.8
133.02974	0.6
134.03735	0.3
135.04544	0.3
136.01659	1.8
137.02441	100.0
138.02760	1.5
139.00409	0.2
141.01903	0.2
145.02921	0.3
147.04506	0.2
149.02361	0.2
151.00383	0.2
153.01961	0.4
154.99857	0.2
159.02995	0.6
161.02484	0.4
163.03958	0.2
165.01852	0.2
167.03532	0.2
169.01382	0.3
175.03998	0.2
177.04062	0.8
179.03397	0.2
181.01411	0.4
182.02202	0.8
183.02979	1.1
191.03432	0.7
195.02991	0.2
197.00865	0.3
205.05048	0.2
206.02327	0.3
207.02914	0.2
219.03059	0.3
233.08202	0.3
237.03989	0.2
253.94220	0.2
263.09299	0.2
271.02512	0.3
279.05063	0.5
281.06613	1.2
297.03262	0.2
297.06088	0.8
300.02866	0.4
301.03598	0.3
327.07217	0.2
345.08328	0.7
447.09009	0.8
530.90308	0.2
536.30640	0.2
537.27026	40.0
538.27417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90267	0.6
59.01365	2.4
61.98825	2.9
65.00285	0.6
67.01881	0.6
69.02031	0.5
69.03447	1.6
70.99284	1.1
71.01369	1.1
71.96898	0.5
77.03956	1.5
81.03477	0.5
83.01388	2.4
85.02959	0.8
88.98802	0.7
97.02930	0.8
99.00876	1.7
109.02945	0.9
110.00087	1.7
111.00885	2.2
111.04492	0.7
113.99590	1.9
121.02942	2.4
125.02411	0.7
136.98811	0.7
137.02449	6.8
139.00352	2.7
139.04025	1.0
140.01132	1.4
141.01917	3.3
143.62410	0.6
152.99535	1.0
153.01939	4.7
161.98381	0.6
163.30968	0.5
164.01025	0.6
165.01906	7.4
165.99106	2.8
166.99815	2.0
167.03493	0.6
181.01422	8.9
182.02194	100.0
183.02966	89.0
184.03271	2.4
194.02185	0.8
195.02940	2.0
207.02971	1.0
209.11797	2.5
327.07056	1.2
345.08090	0.7
435.87946	0.6
537.19727	80.9
538.19855	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	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26762	0.3
55.38610	0.3
57.03445	0.9
59.01377	3.3
60.99303	1.3
61.98820	2.5
71.01382	4.2
73.02941	1.0
75.00866	0.8
83.01386	1.4
85.02951	2.7
87.00878	0.9
88.98800	10.3
89.02448	1.8
93.03456	35.9
94.03802	0.9
95.01379	1.6
97.02953	0.8
99.00846	2.1
99.35867	0.3
101.02446	1.9
107.05018	0.3
108.02176	1.4
111.00857	1.7
113.02434	1.6
117.73271	0.4
119.05053	0.5
121.02920	1.1
123.04503	0.7
125.02430	1.2
128.03510	0.9
129.01917	2.6
133.02946	0.8
135.04498	0.5
136.01666	2.4
137.02440	100.0
138.02795	1.8
141.01920	0.5
143.04654	0.4
145.02927	1.0
147.04489	0.8
149.02431	0.5
159.03004	0.8
161.02483	0.9
177.01971	0.4
177.04045	0.7
179.03496	0.6
181.01419	0.9
182.02133	1.0
183.02962	1.3
191.03491	6.2
192.03801	0.5
195.03036	0.4
205.05080	0.8
225.54192	0.4
243.06685	0.5
271.02490	0.6
279.05002	0.5
281.06573	1.6
289.07150	0.3
297.06140	1.2
300.02698	1.1
301.03662	0.8
306.07666	0.5
327.07300	0.7
345.08185	1.8
447.09323	2.4
477.30673	1.0
478.32169	0.5
537.20789	1.8
537.27026	50.7
538.20642	0.3
538.27490	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.3
61.63805	1.1
61.98832	1.9
65.03960	2.6
71.01370	3.2
71.52357	1.1
71.52757	1.4
72.99304	3.0
75.00858	2.2
82.04572	1.0
85.37258	1.1
88.98797	3.7
89.02439	3.7
91.01889	8.0
97.58855	1.0
103.00383	1.5
105.01933	58.6
109.02946	17.7
110.73980	1.2
123.04511	1.1
125.02461	2.8
134.16220	1.1
135.00882	29.4
143.04759	1.2
145.08694	4.5
153.01930	72.7
155.08806	1.2
159.04475	1.2
169.01389	1.7
187.09822	1.6
191.03517	1.1
192.03821	2.3
193.03862	1.1
211.03952	1.4
213.05542	1.1
227.03479	27.4
228.04019	1.3
229.05035	5.4
229.98248	1.1
234.01724	1.5
235.02446	1.5
255.02953	46.9
256.03650	5.3
257.04349	3.1
284.03256	52.5
285.04013	54.5
286.04309	3.8
293.08948	1.2
306.07584	1.6
330.03925	2.2
356.01752	1.3
397.07547	2.8
429.10297	5.8
431.09799	100.0
432.10202	5.4
432.31256	1.1
447.09210	2.5
519.07666	1.8
537.08801	3.7
537.20190	1.6
537.32434	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95898	0.7
60.99301	17.6
66.07060	0.8
69.48817	5.8
71.20280	0.8
79.44591	0.8
80.16449	0.8
82.29008	0.7
88.98801	100.0
90.43376	0.9
102.87139	0.8
107.01367	1.5
121.02944	1.5
135.00845	1.0
151.00356	8.6
163.00331	1.8
178.99831	4.4
196.38576	0.8
226.02672	1.2
227.03450	0.9
238.60596	0.9
243.02922	3.5
245.04700	0.9
254.02138	1.4
255.02975	10.2
271.02444	20.7
271.05405	1.0
283.02533	1.3
300.02716	39.5
301.03500	30.4
301.06912	1.9
447.09277	73.1
448.09515	4.5
537.19360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.4
59.01373	7.9
60.99302	5.9
61.98824	29.5
63.99253	6.0
65.00323	3.5
71.01387	4.0
71.52733	2.6
74.74700	1.9
76.64752	1.6
81.62601	1.7
83.01373	5.5
85.02952	2.3
88.98801	32.6
89.02430	4.0
89.83646	1.7
101.02496	1.9
107.01385	2.7
109.02946	2.3
119.03560	2.1
119.05029	3.7
120.87160	1.9
121.40725	1.9
123.04484	2.0
124.01618	1.9
125.02438	60.0
133.02933	2.1
149.02441	2.9
151.00311	10.4
151.03970	3.8
152.01213	4.8
153.01933	5.5
161.02426	5.3
163.04025	3.7
169.01407	5.9
175.03954	9.5
177.01921	13.5
178.99843	7.4
181.01294	1.7
182.02017	1.9
189.05582	3.1
198.01796	2.1
199.03975	6.9
217.05048	6.0
222.32787	1.8
241.05077	6.0
259.06104	1.9
275.05536	4.9
285.04025	43.5
300.02838	4.6
301.03534	3.0
303.05081	100.0
304.05463	4.4
368.05084	2.1
375.16580	4.4
375.27441	12.0
447.08923	8.4
536.31982	4.1
537.16028	6.4
537.32770	6.6
548.13452	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	537.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22153	0.7
56.89664	0.6
57.03446	1.8
61.56676	0.6
61.61439	0.6
69.40237	4.1
81.03445	1.7
83.01387	2.1
92.70675	0.8
93.03447	1.3
95.05019	2.6
97.02924	3.9
97.35056	0.6
98.20700	1.5
109.02228	1.2
109.02945	17.0
121.02936	1.9
122.03694	0.9
123.04517	11.7
125.02438	11.5
133.02995	1.1
135.04510	1.8
137.02443	11.3
139.03975	1.6
145.02980	1.2
149.02423	4.7
150.03212	0.8
151.04004	7.6
152.56813	0.6
153.01933	1.4
159.04466	1.9
160.05244	1.2
161.02470	1.5
161.06104	4.9
162.03207	1.1
163.04002	1.6
164.01146	2.3
165.01897	3.6
167.03503	2.0
173.06026	0.9
175.03999	1.6
175.07689	1.1
179.03519	4.4
181.01465	2.1
187.04024	4.9
188.04749	3.3
191.03709	0.8
199.02420	1.0
202.06322	1.9
203.03751	0.6
203.07137	12.3
205.05067	6.6
221.08214	2.4
227.07060	1.5
230.05843	1.0
245.08176	16.8
247.06142	1.0
271.06024	1.2
289.07156	100.0
290.07550	4.6
313.07077	2.6
520.12067	0.7
539.70984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63506	0.7
59.01374	4.5
60.99303	15.6
61.98851	1.5
65.00304	0.6
70.37072	2.0
70.37405	0.6
71.01372	2.4
83.01414	0.7
88.98803	100.0
89.02444	2.0
89.99140	0.6
101.02423	1.4
103.00372	1.3
108.02179	0.8
111.00850	0.7
119.03455	0.8
123.00907	1.3
125.02420	1.9
143.04872	0.7
149.02483	1.3
151.00342	4.9
152.01144	1.4
154.30676	0.7
155.99130	0.6
161.02345	0.8
167.03494	2.0
168.00623	2.4
169.01373	2.0
171.46571	0.6
174.07869	0.7
190.02744	0.9
198.01627	0.6
227.03595	1.9
249.13004	0.6
255.03041	2.7
284.03162	4.3
300.02872	1.2
331.06598	3.6
361.07825	1.5
375.27423	1.0
433.07651	1.5
447.09354	5.8
499.05029	0.7
537.12311	5.5
537.33655	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03438	0.9
58.00586	0.9
59.01380	12.0
59.69177	0.2
61.98832	1.7
69.03455	0.3
71.01379	7.6
71.31381	0.3
71.40398	0.4
72.99306	1.1
73.02946	1.2
73.03304	0.3
73.09245	0.2
76.25906	0.3
83.01389	1.3
85.02950	3.3
87.00869	1.4
87.04491	0.3
89.02440	4.8
90.79057	0.3
93.03467	0.4
95.01395	0.8
96.96013	0.3
97.06602	0.6
99.00869	0.6
101.02441	4.9
108.02193	0.4
113.02456	2.8
117.03447	0.6
119.03481	1.0
119.05019	1.2
121.10235	0.4
123.04523	1.6
123.08158	0.5
125.02473	0.5
139.11292	0.6
140.04659	0.3
141.01909	0.3
145.02943	1.9
152.01175	0.4
157.12329	0.6
161.02440	1.0
161.06076	0.5
163.03966	0.9
166.93301	0.3
167.03479	4.8
169.12251	0.6
179.05585	0.6
182.02136	0.3
185.11807	2.9
187.03999	2.1
191.03426	0.3
193.85469	0.3
205.04994	0.8
211.13377	0.4
213.11391	0.3
215.12830	3.8
215.14745	0.4
243.16136	0.3
273.29587	0.3
313.23871	0.4
325.09393	0.7
325.23770	0.6
337.23828	0.5
343.24942	1.9
355.24875	8.2
356.25153	0.3
370.13742	0.4
371.24060	0.4
373.25916	13.6
374.26358	0.9
389.18085	0.4
517.30109	1.1
535.31226	100.0
536.23785	0.5
536.31573	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	536.068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63302	0.6
57.03447	1.3
61.58956	0.8
61.98822	2.1
67.01865	0.9
70.36475	2.3
83.01393	2.4
85.02943	0.9
93.03470	1.0
95.01403	1.9
97.02991	1.1
103.24904	0.8
107.01387	1.3
109.02936	1.2
111.00798	0.9
121.02943	2.6
123.00892	16.5
123.04563	1.7
124.01680	9.4
125.02450	29.3
137.02426	1.6
139.00320	1.4
139.04015	12.3
141.01889	1.0
149.02414	6.2
151.00383	9.7
151.04103	1.7
153.01942	30.4
165.01944	3.5
166.02711	7.2
167.03499	100.0
168.03827	1.7
169.01430	49.5
177.01950	4.2
193.01382	1.5
195.03058	1.6
219.09979	0.8
273.04056	1.5
279.72714	0.8
303.05096	2.4
319.04587	73.6
320.04892	2.0
321.06134	0.9
473.07242	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	534.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81802	0.9
57.10303	0.9
59.01388	1.1
61.98827	100.0
71.01396	1.1
71.52000	1.1
78.95907	1.2
81.31222	1.0
83.01389	1.8
87.00885	2.3
88.70943	1.0
112.98803	14.7
147.36324	1.3
154.99850	7.3
198.27275	1.0
222.30310	1.1
279.23236	4.4
339.56165	1.0
361.06827	1.0
435.23706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28357	0.2
59.01387	0.3
61.98829	100.0
69.10798	0.2
69.26462	0.5
69.26865	1.9
71.01376	0.3
76.33912	0.2
78.95920	0.3
88.98824	0.2
90.81650	0.3
98.19928	0.5
115.79613	0.2
137.06166	0.2
141.72917	0.2
159.70920	0.2
178.30499	0.2
255.06476	0.4
294.05283	0.3
295.05972	0.5
490.12479	0.8
534.14874	0.3
535.21875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66885	0.2
55.35002	0.2
61.98827	100.0
152.02524	0.2
200.55148	0.3
241.80579	0.2
255.06700	0.3
256.06949	0.3
294.05331	0.3
295.05798	0.3
351.30878	0.2
384.73581	0.2
439.31543	0.2
455.34689	0.2
534.14319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73793	0.8
57.03429	2.0
59.01366	1.6
60.07326	0.8
60.99301	1.7
61.98801	0.9
68.74466	1.0
69.84629	1.8
69.84989	3.5
81.03443	3.5
83.01368	2.9
88.98798	8.1
89.02427	0.9
93.03481	1.1
95.05013	2.1
95.46537	0.8
97.02943	5.4
108.02150	1.0
109.02943	21.8
115.00383	0.8
120.99643	1.8
121.02949	4.6
123.04513	13.4
125.02451	14.4
135.04491	1.1
137.02431	7.7
138.03247	1.2
139.03987	3.1
142.06609	4.2
145.02946	1.0
149.02443	3.9
151.03986	8.8
152.12775	0.8
153.01904	1.7
159.04478	2.3
161.02414	1.9
161.06062	5.1
163.03969	1.0
164.01126	2.2
165.01971	4.0
167.03450	1.8
175.02577	1.1
175.03993	2.7
175.07611	1.6
179.03494	3.8
181.04988	1.2
183.02939	0.9
186.05573	1.9
187.03944	2.7
188.04774	2.9
202.06325	1.5
203.07112	12.0
205.05023	6.1
211.05981	0.9
221.08154	3.1
227.07054	1.8
245.08136	16.5
289.07156	100.0
290.07425	4.2
301.05634	1.6
454.66385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10852	2.3
55.94811	2.5
58.48294	2.7
59.01378	4.8
61.98829	13.4
66.66230	2.5
70.43812	2.4
71.20736	5.4
78.95894	7.7
83.01366	2.9
93.25117	2.5
98.08977	2.4
104.22587	3.0
139.00403	2.8
141.01915	10.4
143.10721	4.9
152.99600	8.9
153.01927	6.0
165.01962	5.9
165.99033	2.9
181.01448	4.4
182.02214	100.0
183.02965	64.5
261.94373	2.7
292.89838	2.6
402.17871	2.9
435.06836	2.9
471.18661	86.1
472.19040	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	534.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04375	0.5
52.18906	0.4
53.93340	0.5
58.02978	5.9
59.01379	2.5
61.98820	1.1
62.51436	0.4
66.03502	0.7
69.51300	3.1
70.02985	0.6
71.01396	1.1
72.00879	0.7
74.02470	12.2
82.02972	1.4
86.02479	4.8
86.06121	0.5
86.99100	1.4
87.05627	1.8
89.02455	1.0
90.00182	1.2
97.04055	1.1
99.05637	9.0
101.02464	0.7
101.07202	1.3
102.05602	1.2
104.28500	0.5
107.06175	0.5
109.04047	1.2
111.03333	0.5
111.05626	0.8
112.04029	1.5
116.01772	0.9
123.04532	0.9
123.05619	1.3
124.03974	0.9
124.04861	0.5
125.03545	0.9
126.02048	0.6
127.05145	1.5
128.03532	27.1
131.04576	0.7
132.04538	2.0
134.06084	1.7
135.05623	2.3
137.07161	0.6
141.06715	1.4
143.04610	38.8
144.04919	0.6
145.06175	1.7
146.04576	3.9
153.06657	2.4
160.00723	10.4
161.02481	1.5
166.09853	1.2
167.04634	2.7
167.08255	1.2
170.03336	0.5
171.04114	0.6
176.03481	0.8
177.03384	3.6
179.04625	7.8
181.06180	0.9
184.10863	0.7
185.05653	1.4
192.07733	1.0
197.05656	1.9
209.11780	0.8
210.08797	8.1
224.56430	0.5
239.09554	0.5
242.07729	1.1
254.07808	8.4
272.08884	15.2
273.09155	0.7
279.11066	0.6
288.06577	6.3
306.07623	100.0
307.07996	3.9
358.08475	0.7
459.17844	1.0
503.16580	5.4
534.21167	7.2
535.19678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27599	0.3
57.15067	0.2
61.02422	0.3
61.98828	100.0
66.84705	0.3
69.23901	0.3
69.24096	0.7
69.24501	1.6
87.43124	0.3
98.19907	0.4
98.45374	0.3
117.03436	0.4
119.05012	1.8
145.02934	2.4
163.04005	2.9
188.07152	0.3
222.20569	0.3
307.08209	2.4
371.24408	0.6
372.24844	0.4
465.28137	0.3
471.12866	0.8
549.52386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
61.98827	100.0
64.08024	0.2
68.42781	0.2
69.32162	1.0
71.01385	0.5
85.02970	0.2
89.02441	0.2
101.02444	0.3
110.27637	0.2
113.02486	0.2
117.03475	0.7
119.05017	1.8
123.04525	0.3
145.02959	3.4
146.03278	0.3
161.02467	0.2
163.03992	2.7
167.03479	0.7
173.63458	0.1
185.27414	0.1
213.46707	0.2
235.16893	0.2
305.17892	0.2
307.08176	1.9
371.24319	0.4
387.16309	0.3
388.16861	0.3
471.13263	0.6
533.23138	0.2
533.29883	1.1
534.23431	0.4
534.30377	0.4
535.31622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1613
Annotation	Davallioside A
Peak:m/z	Relative Intensity
59.01369	2.4
61.98825	2.9
69.24908	4.9
71.01380	2.0
75.62881	0.5
79.01897	0.9
83.01376	2.6
85.02948	0.8
89.02436	1.1
97.02929	1.3
99.00911	0.8
101.02426	1.3
109.02977	0.6
111.00862	1.0
116.05066	16.0
121.02904	0.5
123.00859	0.6
123.04523	1.0
125.02455	1.3
137.02455	1.7
138.03226	3.0
139.04059	0.9
141.01994	2.7
145.02963	2.0
146.03264	0.6
149.02429	0.7
151.00380	1.9
151.04021	1.0
153.01935	7.5
163.03987	0.8
165.01912	8.3
166.02649	1.7
167.03488	30.5
170.02150	1.0
179.03461	3.4
181.01424	8.8
182.02199	30.5
182.47263	0.6
183.02960	25.9
191.03525	0.9
193.01436	1.2
194.02180	3.0
195.02974	36.3
196.03737	3.6
207.02966	1.3
209.04529	2.1
224.03271	2.5
224.07364	0.7
225.03990	1.6
236.03192	1.7
237.04034	2.6
254.04292	5.0
255.05077	2.8
280.06143	0.9
282.07758	1.3
292.05954	0.6
303.07172	0.6
308.09146	0.7
309.06180	0.6
310.07220	7.4
311.07962	48.9
312.08279	2.9
322.07190	1.5
323.08112	1.0
324.08652	1.9
335.07834	3.4
336.08627	1.2
345.08221	28.8
346.08572	1.7
353.09171	3.3
354.09811	2.2
371.10068	8.9
372.10724	4.3
373.25867	1.2
387.09323	1.5
387.16418	1.5
388.16800	2.3
417.10349	6.2
498.14139	1.1
516.15125	3.8
534.16107	100.0
535.16364	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	533.2965
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01866	0.9
55.19541	0.2
57.03434	0.9
58.00583	0.6
59.01378	9.3
59.06136	0.2
61.98822	2.8
65.90734	0.2
67.88278	0.2
69.31721	1.0
69.32153	1.0
71.01379	7.1
71.05035	0.5
72.99298	0.5
73.02943	2.0
75.00899	0.3
78.17685	0.2
83.01380	1.1
85.02950	3.0
87.04494	0.2
89.02442	4.1
91.41530	0.2
95.01373	0.4
97.02929	0.3
97.06606	0.5
99.00889	0.5
101.02435	4.2
110.60761	0.2
113.02442	1.9
113.06026	0.3
117.03458	0.9
119.03490	1.1
119.05008	0.4
123.08162	0.7
125.09711	1.8
127.11298	0.4
133.02954	0.5
135.04543	0.3
137.02487	0.2
139.11252	0.4
141.09236	0.3
141.12871	0.3
143.10754	0.5
145.02928	2.4
153.09201	0.6
155.10709	0.3
160.01674	0.4
161.02411	1.5
161.04533	0.3
163.03925	0.3
171.10263	6.0
175.03976	0.3
179.03470	0.3
183.02969	0.4
185.11742	0.7
193.04913	0.3
199.09779	0.3
200.10486	0.5
209.08319	0.3
215.12863	0.8
227.12950	0.2
241.01466	0.3
281.17487	0.5
300.02704	0.2
311.62259	0.2
323.22321	0.6
335.22284	0.6
337.23715	0.4
341.23334	5.8
345.08289	0.3
353.23254	4.1
355.24857	4.6
369.22662	0.4
371.24341	15.6
372.24597	0.8
443.15573	0.7
503.28506	0.9
509.57602	0.3
515.28674	1.1
533.29651	100.0
534.29980	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	534.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98827	100.0
63.82498	0.1
65.51239	0.1
71.01392	0.3
74.70181	0.1
83.01413	0.1
85.02920	0.2
98.54942	0.1
100.15858	0.1
108.61483	0.1
117.03453	1.0
119.05019	6.2
120.05389	0.1
133.04819	0.1
145.02946	9.3
146.03299	0.2
163.03999	10.9
164.04355	0.3
170.34331	0.1
187.03964	0.3
301.86871	0.1
306.07458	0.2
307.08200	7.3
308.08704	0.3
364.18323	0.1
371.23523	0.1
471.12924	5.9
472.13400	0.3
533.30334	0.6
533.37762	0.1
533.81830	0.1
534.29968	0.3
535.31732	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01579	0.4
59.01367	1.7
69.45766	2.2
69.46192	1.2
71.01373	1.0
85.02946	8.7
87.00891	2.2
93.03453	3.0
93.09976	0.4
98.20755	0.4
109.02975	0.4
111.04513	1.0
112.05469	0.4
127.04020	1.7
173.04567	0.8
191.05603	100.0
192.05931	1.6
333.57581	0.4
363.92859	0.4
474.81964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84715	0.3
59.01378	1.1
71.01386	0.6
71.50050	0.5
73.46763	0.3
74.61940	0.3
75.49120	0.3
81.03458	0.4
85.02949	8.9
87.00867	1.9
93.03461	2.5
109.02940	0.9
111.04504	1.0
120.89393	0.3
127.04005	2.1
171.02988	0.3
173.04506	0.9
184.82225	0.3
191.05605	100.0
192.05920	1.7
261.38968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1293
Annotation	LLP3
Peak:m/z	Relative Intensity
59.01371	3.7
61.98811	5.6
71.01350	2.1
77.38712	1.5
81.03452	4.9
93.03431	1.7
96.95385	2.3
96.96008	42.3
98.95580	38.7
98.96404	6.7
101.02405	1.8
105.03458	8.1
109.02957	4.5
115.92059	2.7
119.05009	5.7
119.32634	1.5
123.04529	12.7
123.78232	1.8
125.02408	3.8
133.02919	7.1
135.04506	8.8
147.04568	2.5
149.02425	39.7
156.86174	1.5
161.02423	23.6
165.05559	20.2
167.03462	6.0
178.05042	3.1
179.03513	3.0
184.04218	2.2
191.03491	100.0
192.03845	3.9
199.04222	1.5
209.04527	37.6
213.95715	2.5
214.75945	1.5
238.30983	1.6
254.07695	1.6
271.02515	2.3
323.07800	8.2
341.10321	2.6
353.10037	3.8
360.08975	9.4
371.11331	4.0
489.13809	5.8
515.11652	3.6
532.99963	6.0
533.12915	67.7
533.29846	2.5
534.13611	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	533.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.6
58.17841	2.2
59.01372	8.7
60.99296	2.3
61.98828	10.6
69.67878	11.5
71.01350	2.3
88.98802	11.6
121.95284	2.3
124.67219	2.1
125.74998	2.3
129.51494	1.9
135.04489	2.1
137.02408	3.4
138.65964	2.0
139.00279	2.1
145.02948	4.7
147.50485	2.0
153.01929	3.4
161.02412	8.1
163.03979	3.6
165.01955	4.2
171.78357	2.0
181.01346	5.4
181.04990	3.9
182.02194	13.1
183.02959	27.6
208.03717	6.9
209.04556	8.0
209.08194	20.0
225.05499	5.7
230.05820	7.0
236.06897	4.3
237.03999	5.9
237.07629	38.1
245.08185	13.1
252.10023	7.9
258.47394	2.2
273.66101	2.1
280.09457	35.3
281.10239	14.8
291.64740	2.2
345.08240	4.0
356.97827	2.2
371.09842	14.4
399.13019	3.4
402.85587	2.1
443.15546	100.0
444.16025	5.0
533.14319	4.8
533.22894	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	533.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29062	0.4
59.01354	1.9
61.98811	0.6
65.00299	0.5
68.99792	0.4
70.71710	1.1
71.01366	1.4
81.03453	1.4
83.01374	3.9
85.02935	0.7
89.02472	1.0
93.03475	0.7
95.01364	1.6
96.95979	0.5
97.02962	0.6
99.00876	15.3
108.02194	0.5
109.02911	0.6
111.00868	1.1
120.31769	0.4
121.02893	0.4
124.01637	1.3
125.02425	2.2
127.00379	4.9
135.00862	0.6
135.04506	1.3
136.86978	0.5
137.02444	2.7
138.03261	0.4
139.00356	2.7
140.01218	0.6
141.01913	1.9
149.02443	0.8
149.06078	0.4
151.00359	0.8
151.04019	0.6
152.01144	1.0
153.01942	2.9
155.45490	0.4
163.03978	1.0
165.01904	1.2
166.02676	0.8
167.03458	1.8
168.00609	1.3
169.01382	0.5
172.00137	0.9
175.04022	1.0
177.01968	0.8
178.99957	0.5
179.03482	2.1
181.01407	5.3
189.04033	7.1
191.03671	0.9
191.05573	2.9
193.01372	1.3
194.02132	1.3
195.03033	2.6
196.03738	1.0
206.02071	0.7
207.02943	1.8
209.00902	0.6
219.02988	1.4
221.00917	2.2
222.01678	5.1
223.02460	7.9
229.03493	5.0
234.01694	0.8
235.02458	5.1
237.03976	0.5
249.00238	0.7
250.01161	1.6
251.01917	12.4
263.01944	1.4
265.03357	0.5
269.61081	0.4
280.02197	9.6
293.02881	0.8
303.07025	0.4
309.02457	7.3
325.05655	1.5
352.04257	0.7
353.05148	0.9
358.81107	0.4
370.05359	8.6
371.05453	0.6
385.07791	2.9
429.33441	0.5
443.08139	2.9
491.64212	0.5
533.11432	100.0
534.11908	4.7
555.12427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
69.33974	3.3
71.01377	4.5
79.01888	1.2
80.48403	0.4
83.01394	1.2
87.00864	9.5
95.40549	0.4
101.02365	0.4
109.02934	0.5
115.00363	14.0
123.00875	0.5
125.02432	1.0
137.02420	3.0
138.03210	20.6
139.03941	1.5
149.02484	0.4
151.00369	1.1
151.03973	0.4
153.01878	0.9
165.01952	0.6
166.02724	7.6
167.02022	0.4
167.03477	10.8
170.02203	7.1
175.02461	28.4
177.01883	0.4
194.02179	30.2
195.02956	7.2
207.02974	0.6
226.01099	0.6
329.08975	0.5
357.08221	100.0
358.08609	3.8
376.01923	0.4
536.37451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
61.98836	0.4
67.01874	0.4
68.99782	0.5
71.01366	1.3
71.05268	0.8
81.03469	2.0
83.01381	4.0
85.02929	0.7
89.02423	1.6
95.01362	1.8
96.95998	0.4
97.16660	0.4
99.00880	17.0
107.04959	0.5
111.00861	1.2
113.02417	0.8
119.05038	0.6
123.00871	0.4
124.01636	1.4
125.02440	2.9
127.00373	6.0
135.00923	0.5
135.04514	0.7
137.02446	3.1
138.03271	0.9
139.00391	2.1
141.01913	1.6
147.04471	0.6
149.02428	0.8
150.03239	0.5
151.03932	1.0
152.01079	1.1
153.01912	3.6
156.00584	0.5
163.03989	1.0
165.01935	1.5
166.02646	1.1
167.03433	1.3
168.00616	1.7
169.01454	0.5
172.00145	0.9
175.03949	1.0
177.01929	1.0
179.03473	1.2
180.00583	0.6
181.01419	4.7
189.04034	6.8
191.03474	1.7
191.05504	0.7
193.01434	0.7
193.04945	0.7
194.02187	1.7
195.02937	1.9
196.03720	2.8
205.01392	0.5
206.02095	0.7
207.03032	2.0
209.00839	0.6
219.02962	1.4
221.00937	3.1
222.01669	7.0
223.00298	0.8
223.02463	10.1
229.03510	4.1
234.01703	0.9
235.02481	6.3
248.24814	0.5
249.00342	0.6
249.04091	0.5
250.01163	1.8
251.01945	12.8
255.26367	0.4
263.01950	1.9
265.03394	0.6
267.01385	0.6
278.50198	0.4
279.01477	0.5
279.99313	0.7
280.02219	9.9
281.02988	0.5
309.02527	8.9
314.38724	0.4
325.05585	1.7
327.03650	0.6
352.04306	0.6
353.04953	1.0
370.05334	8.8
385.07791	4.7
425.07501	0.5
443.08264	3.0
533.11426	100.0
534.11725	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	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
59.01374	0.4
61.98828	100.0
65.30769	0.3
69.67864	2.3
71.01400	1.0
71.14783	0.4
76.35129	0.4
78.95907	1.2
79.20338	0.4
83.01382	1.8
87.00866	1.7
89.33698	0.3
96.95989	0.4
98.61611	0.3
99.00898	0.4
108.06226	0.4
111.00896	0.7
112.98813	14.7
118.07056	0.4
142.99846	0.8
154.99864	8.7
157.87100	0.4
178.88481	1.5
196.89458	4.8
204.15302	0.3
210.91092	0.4
234.47343	0.3
241.37610	0.4
277.21698	4.4
289.21530	0.5
361.24069	0.5
433.22318	3.0
533.16650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0933
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.91119	1.1
59.01383	5.7
61.57359	0.9
61.98824	7.6
69.42934	6.4
71.01365	4.3
73.02943	2.0
76.38476	0.8
79.99142	0.8
83.01398	2.4
85.02941	2.3
87.00861	0.9
89.02447	2.4
93.03458	2.6
96.96028	1.6
101.02459	4.2
107.01373	1.6
109.02950	1.3
113.02438	2.1
114.93394	2.6
119.03477	1.3
125.02449	2.5
129.33791	0.8
132.03021	2.0
135.00900	1.3
149.02443	0.9
151.00406	1.7
159.04497	1.5
161.02412	2.0
163.00328	2.0
163.06056	2.0
164.01192	1.4
165.01958	1.2
165.05617	1.2
175.02507	1.0
182.02151	1.4
183.02937	1.9
183.04573	1.2
185.06113	1.5
187.03955	2.2
191.03526	5.6
209.04478	1.1
211.04039	1.8
213.05708	1.6
226.06358	1.9
227.03496	28.4
229.05032	10.2
239.03583	2.2
241.05217	1.4
241.08630	2.1
255.02972	61.6
256.03485	3.6
257.04575	7.0
267.02975	1.4
284.00003	1.3
284.03256	82.2
285.04019	100.0
286.04361	4.5
338.07910	1.3
341.10266	2.7
345.07864	1.1
353.10223	8.3
371.11374	1.2
372.59711	1.0
387.20132	0.9
489.10349	61.0
490.10651	3.3
533.12091	1.8
533.25531	2.7
533.29510	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	531.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.4
59.99505	2.2
61.98829	4.8
71.52887	5.0
74.02477	3.0
85.02923	4.9
85.33073	2.3
94.94063	2.3
111.08174	12.5
113.02416	4.4
119.05022	3.0
145.02994	4.3
197.11826	46.2
199.13278	3.1
211.13301	4.0
291.19730	7.4
309.20697	100.0
310.20828	3.5
333.20532	5.1
403.23935	2.7
419.94287	2.6
531.22626	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71282	2.0
59.01376	28.7
61.98824	8.5
69.03428	2.5
70.78247	2.3
71.01327	2.2
71.52795	3.0
82.46036	2.4
89.02457	2.5
111.08136	12.3
113.02465	4.2
117.03495	2.7
145.02939	8.7
162.88428	2.7
163.04054	3.8
169.12312	5.6
197.11848	41.7
211.13379	7.2
291.19699	4.6
309.20694	100.0
333.20822	4.4
531.21796	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	531.3168
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
55.01884	0.6
56.08260	0.6
57.03432	1.6
58.00591	0.7
59.01375	12.6
61.98821	5.1
63.21109	0.5
66.24436	0.5
66.59052	0.5
67.01478	0.6
68.99817	0.8
71.01376	19.1
72.99303	5.7
73.02945	1.2
75.00867	14.8
85.02942	17.9
87.00867	5.7
89.02440	5.4
95.01382	4.7
99.00873	7.7
101.02451	0.8
103.00361	2.8
113.02443	26.3
115.00375	1.8
117.01945	2.7
129.01920	1.4
131.03496	0.6
157.01373	0.9
169.05215	0.7
175.02431	2.9
198.75536	0.5
205.07106	1.5
223.08215	1.2
249.06119	4.8
267.07184	5.1
281.24838	62.9
282.25250	2.5
412.65210	0.6
513.30487	2.6
531.31702	100.0
532.32043	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	531.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74461	0.6
51.39943	0.6
58.09714	0.6
58.24901	0.6
59.01378	4.5
61.98827	6.1
66.35144	0.6
67.22473	0.6
68.83566	0.6
70.49229	0.7
71.01388	4.1
71.53339	0.8
72.99342	0.6
73.02966	0.7
74.72285	0.6
80.96497	0.7
85.02944	1.7
87.00876	0.8
88.98808	1.0
89.02438	2.5
89.03951	1.0
92.24226	0.6
101.02442	1.9
113.02457	2.1
117.03470	8.5
119.05008	2.8
121.02960	0.9
128.03505	1.1
132.02155	10.8
133.02971	6.0
134.03735	63.1
135.04012	0.7
137.02478	3.7
139.04033	1.0
145.02945	10.9
149.06079	10.7
160.01654	50.9
161.02238	1.5
163.04013	3.2
165.01935	0.7
174.03270	0.7
175.03987	66.9
176.04622	1.7
177.01875	2.0
178.01212	1.2
178.02710	14.6
179.03482	0.8
182.02072	0.9
183.02989	0.7
193.05037	100.0
194.05338	2.0
202.02800	1.3
205.04916	0.7
207.02896	0.8
209.06226	0.8
217.04999	2.5
220.61505	0.6
235.06006	1.3
237.11269	0.9
253.04980	2.8
264.10001	2.8
265.10535	2.2
300.02640	1.3
320.09195	0.7
322.06863	4.6
337.09259	58.6
338.09576	2.3
345.08362	1.0
369.22693	1.7
427.16025	4.3
428.16437	1.0
447.09256	1.8
454.14468	0.7
471.25723	0.8
531.15192	1.2
531.21350	4.2
531.29272	3.3
543.80524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00578	0.3
59.18797	0.2
61.98830	3.8
69.03440	0.3
69.29634	0.5
69.30041	1.4
71.01383	4.4
73.02962	0.5
73.15460	0.2
82.72620	0.2
82.95415	0.3
83.01382	0.5
85.02946	1.5
87.00881	0.8
88.98809	0.2
89.02441	3.4
95.01415	0.4
96.96011	0.3
97.02925	0.3
98.20731	0.3
99.00920	0.2
101.02438	2.9
109.06586	0.2
113.02451	1.5
115.00346	0.3
117.03462	29.7
118.03763	0.7
119.03628	2.0
119.05024	14.4
123.00941	0.2
125.02462	1.2
128.03526	0.4
135.04544	0.3
137.09659	0.5
138.01712	0.3
143.03528	0.5
143.04630	0.6
145.02951	100.0
146.03299	2.0
149.04590	0.2
161.02425	1.0
161.04538	0.8
161.05884	0.4
163.04008	14.8
164.04294	0.3
175.02519	0.5
175.03947	0.4
179.05635	0.8
181.12343	0.3
187.03973	0.8
192.11533	0.7
205.05002	0.5
207.13916	2.9
221.06630	0.8
263.07565	0.4
295.05917	0.4
306.07617	0.7
307.08401	0.2
323.09879	1.6
325.10785	1.8
334.11887	0.2
351.12137	0.3
369.22687	0.3
386.03787	0.2
489.26624	0.3
531.22266	52.2
532.22626	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	531.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66186	0.3
55.00737	0.3
55.01864	0.3
59.01141	0.3
59.01386	2.6
61.98833	0.8
69.07034	0.3
70.55095	0.3
71.01376	2.7
72.99287	0.3
73.02946	0.3
83.01372	0.3
85.02949	1.2
89.02438	1.4
89.03985	0.4
93.03455	0.3
95.01389	0.4
98.19876	0.6
101.02432	1.4
105.03466	0.9
107.05033	0.3
109.02946	4.2
111.00890	0.8
113.02454	1.5
115.01850	0.3
117.03481	2.0
119.05020	1.3
121.02994	0.4
123.04533	0.3
128.03497	0.3
131.05913	0.3
132.02158	1.5
133.02953	36.9
134.03763	3.3
135.04521	30.3
136.04854	0.8
137.02443	1.7
137.09686	1.5
137.37224	0.3
139.04047	0.4
143.04640	0.4
145.02953	3.2
147.04501	1.2
148.05289	1.8
149.06090	8.9
151.04082	0.3
161.02435	97.6
162.02786	2.1
163.04022	1.0
174.03232	0.5
175.02678	0.3
175.03996	8.0
177.05557	15.7
178.02687	0.5
178.05916	0.6
179.03484	23.3
180.03807	0.7
187.03984	1.0
189.05582	1.1
191.03410	0.3
192.03801	0.4
201.05537	0.6
203.03490	100.0
204.03822	2.6
217.05125	0.3
221.04535	15.5
222.04832	0.6
233.04539	1.3
237.11160	0.3
245.04539	1.1
251.05522	0.8
281.06659	1.4
308.68784	0.3
323.07761	2.5
325.10287	0.5
341.08749	12.7
342.08936	0.6
369.22403	0.4
517.24524	0.3
531.22260	20.3
532.22388	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	531.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43589	0.6
58.19883	0.6
61.98830	6.6
71.01379	4.8
71.52617	0.7
72.99325	0.8
82.95415	0.9
83.01404	1.2
85.02959	1.5
87.00883	1.9
89.02454	1.8
90.34938	0.6
96.96001	0.6
99.68298	0.6
101.02440	2.4
109.02936	1.0
113.02435	1.5
115.00368	2.1
117.03461	22.3
119.03526	0.9
119.05019	9.4
121.02996	1.2
132.02182	2.0
133.02953	35.2
134.03699	1.4
135.04518	19.0
136.40201	0.7
137.02437	1.4
137.09717	0.7
145.02946	75.8
146.03300	1.5
149.02429	0.8
149.06055	1.9
153.01932	1.1
161.02434	100.0
162.02762	2.8
163.04005	15.7
165.09122	0.7
167.03459	1.0
171.10231	0.8
175.03938	1.6
177.05521	3.6
179.03484	10.9
185.11790	0.8
187.04053	1.6
203.03487	17.2
207.06596	1.0
211.13394	0.8
221.04552	4.2
223.13359	0.8
233.04436	0.8
310.03290	0.6
311.10242	0.7
341.09097	1.0
373.25916	3.4
460.84424	0.8
531.22150	81.3
532.22455	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	530.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12796	0.8
53.64762	0.7
59.01377	5.2
61.98824	12.6
65.47305	0.9
71.01373	3.3
71.51744	1.0
71.52091	1.2
72.00898	1.6
74.02460	1.5
83.01390	3.0
89.02430	1.4
91.04607	0.7
96.96011	1.4
97.02916	1.3
101.02434	2.1
104.03551	5.2
110.89075	0.8
119.05020	8.9
124.01725	0.8
125.02399	0.8
128.03458	1.0
134.03728	1.6
135.04570	0.9
137.02419	3.2
138.03230	1.6
141.01909	1.2
143.04727	0.9
149.95757	0.9
152.01135	0.9
153.01941	1.8
161.02438	1.2
163.04004	14.4
164.04749	2.3
165.01906	7.5
166.02635	2.0
167.03493	0.9
170.02170	0.8
172.59079	0.9
177.05556	2.0
178.02664	2.9
179.03484	2.5
181.01389	2.5
182.02191	29.5
183.01390	1.5
183.02974	27.6
184.03329	1.1
191.03447	5.1
192.04198	1.4
193.05051	4.4
195.03018	1.1
205.05046	14.9
206.09422	3.0
207.03004	4.3
219.06526	1.6
228.60687	0.8
229.04840	1.1
233.04535	28.8
233.08127	2.1
234.08894	3.2
235.09749	14.0
236.10123	1.0
261.07666	1.3
262.08447	54.2
263.09167	20.1
266.63583	0.9
275.09326	1.0
306.07767	1.8
328.07306	1.0
345.08243	38.5
346.08514	2.4
368.15771	1.0
425.14499	100.0
426.14859	5.9
457.80695	0.9
471.06781	1.4
493.28802	0.8
530.19806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01377	13.5
61.98826	0.7
71.01376	5.2
72.51621	0.3
72.99281	0.4
73.02931	1.0
75.45934	0.3
77.65446	0.3
78.95872	0.5
81.37843	0.4
81.47973	0.3
83.01396	0.5
85.02940	1.6
87.00872	1.0
89.02442	5.3
95.05012	0.5
99.00865	0.4
101.02436	5.5
111.08151	0.4
113.02439	3.4
119.03486	1.5
125.09668	0.6
129.72386	0.4
143.03506	0.8
149.38942	0.3
161.04530	3.1
163.11252	0.4
167.10750	0.4
179.05620	1.3
179.14412	0.7
181.12431	0.4
185.11816	0.7
195.13893	7.9
196.14450	0.6
205.12340	0.9
209.11856	2.8
223.13387	5.9
228.13725	0.8
245.19128	0.8
253.09271	29.8
254.09689	0.7
256.13138	1.2
265.21692	0.4
275.20123	4.9
289.18042	3.0
293.21213	100.0
294.21576	4.0
304.51352	0.4
307.19122	6.0
323.12958	0.4
472.94910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25025	0.6
59.01362	1.5
60.06882	0.6
61.98826	6.5
65.08798	0.7
71.01368	1.0
71.52474	1.1
72.00899	1.6
73.79832	0.7
74.02466	1.3
83.01384	2.6
89.02460	1.1
92.32073	0.7
99.00883	0.9
104.03542	5.7
105.98346	0.6
106.90455	0.6
115.66851	0.6
124.01632	0.8
125.02505	0.8
137.02434	1.3
138.03206	1.5
148.38297	0.6
152.01202	0.6
153.01979	1.0
154.80261	0.6
155.16879	0.6
161.02489	1.3
163.03986	4.8
164.04768	0.9
165.01941	5.0
166.02718	2.0
170.02258	1.1
177.05545	2.3
179.03444	1.8
182.02182	13.1
183.02980	12.9
191.03506	5.3
191.07097	0.9
192.04250	1.9
203.03432	0.8
205.05066	11.8
206.09473	3.5
207.02997	2.2
217.08620	1.0
219.06615	1.8
229.04910	0.9
233.04518	23.7
233.08244	1.9
234.04807	0.7
234.08937	2.2
235.09746	13.3
236.10152	0.9
261.07712	1.0
262.08438	47.2
263.09189	20.4
264.09567	1.0
306.07599	0.9
345.08234	20.5
346.08557	1.4
347.08774	1.2
350.61542	0.7
425.14493	100.0
426.14987	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	529.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48859	1.0
58.02967	7.7
59.01385	1.4
65.00312	2.4
66.03497	1.2
67.90517	1.0
70.09577	1.1
74.02477	15.2
79.69242	1.1
82.02998	1.6
83.01385	3.3
83.05005	1.3
86.02489	6.5
87.05637	2.7
94.06626	1.7
95.02546	1.3
96.99911	4.8
97.04055	1.6
98.20727	2.1
99.04508	1.8
99.05650	11.8
101.07201	3.5
102.05634	1.7
109.02920	2.2
109.04047	2.1
111.00865	1.6
111.05618	1.7
112.04019	3.3
113.03580	1.5
123.05624	1.5
125.02979	2.1
126.03835	33.9
127.05119	2.2
128.03532	30.9
135.05621	4.1
136.98772	3.5
137.02437	5.1
141.06705	2.9
143.04616	38.9
143.48111	1.2
145.06125	1.4
146.04582	4.4
153.01923	29.7
153.06699	3.3
154.02284	1.6
156.01717	1.2
166.09848	1.6
167.03438	2.3
167.04646	1.9
167.08244	1.8
179.04590	9.9
181.01427	48.9
181.06200	2.1
189.22974	1.3
192.07758	2.0
199.02495	29.1
210.08890	9.5
212.07484	6.9
221.35965	1.4
254.07785	11.8
255.06160	1.6
256.06464	17.7
272.08862	10.7
337.30057	1.5
356.13034	1.5
400.11874	2.7
446.47366	1.3
467.16019	2.0
485.17441	1.7
493.13144	1.2
500.75842	1.1
511.15091	13.5
529.16077	100.0
530.16370	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	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.76686	0.8
52.71941	0.9
54.19592	0.9
57.03442	2.6
59.01382	14.0
69.32863	7.1
69.98336	1.0
71.01383	14.7
72.99294	3.4
73.02939	1.0
75.00870	14.1
85.02952	19.9
87.00889	6.4
88.98804	4.4
89.02448	3.5
95.01384	4.7
99.00882	8.8
103.00387	2.4
113.02450	30.0
117.01945	2.2
129.01996	1.3
149.02937	1.0
175.02463	4.1
205.00801	1.0
205.07204	2.7
223.08125	1.0
231.05022	1.4
249.06052	6.6
267.07199	6.9
279.23288	60.1
280.23654	1.2
511.29114	2.6
529.30164	100.0
530.30646	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	529.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44796	0.2
59.01356	0.4
59.60038	0.2
61.98806	0.2
69.62126	0.7
69.62526	0.4
71.98735	0.2
78.32228	0.2
78.95898	3.3
79.95734	3.1
83.01390	0.3
96.96011	100.0
96.96895	4.0
104.03499	0.2
137.02405	0.2
152.99585	0.2
153.01939	1.1
165.01956	0.4
181.01483	1.0
182.02194	3.0
183.02986	3.0
183.89919	0.2
185.84662	0.2
187.03923	0.2
191.03493	0.7
205.05003	0.2
215.80743	0.2
227.03500	2.7
229.05006	0.4
233.04698	0.4
255.02943	3.8
256.03705	0.5
262.08356	0.3
263.08978	0.2
284.03238	4.2
285.03992	4.8
316.68234	0.2
327.07291	1.3
345.08197	3.7
387.27841	0.2
425.14548	0.8
426.14886	0.5
431.09763	9.2
432.10376	0.7
529.19495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81768	2.3
57.03446	2.6
59.01364	6.4
61.98826	6.2
65.00311	4.5
69.72926	12.0
81.03479	3.5
81.43244	2.0
83.01388	6.4
98.20053	3.1
109.02949	6.5
111.00908	3.1
111.04502	2.5
122.63751	2.4
125.02398	3.5
134.07576	2.5
136.98787	6.8
137.02411	7.0
140.16545	2.3
153.01944	66.0
153.09680	2.3
154.02306	5.7
154.62749	2.1
155.02359	2.8
155.03511	3.0
167.03416	5.5
169.01396	2.7
181.01416	100.0
183.02904	2.5
191.05614	8.7
197.00830	5.4
199.02480	55.2
464.11307	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	528.1773
Annotation	Nilotinib
Peak:m/z	Relative Intensity
58.02977	6.6
59.01371	8.1
60.01718	1.4
61.98835	6.3
69.60783	6.7
71.01367	1.7
74.02471	17.2
74.06178	1.1
76.01028	1.2
81.04553	1.4
82.03004	1.7
86.02479	4.6
87.05646	1.4
88.04077	1.7
89.22753	1.2
92.17997	1.0
94.06696	1.5
96.04588	1.2
96.95977	2.2
96.99905	4.2
97.04084	1.5
97.07713	1.2
99.05642	14.4
101.07204	2.7
102.05608	2.0
107.06069	1.0
109.04069	3.0
110.85517	1.1
112.04052	1.6
123.05611	2.3
124.04113	2.0
125.03008	8.7
126.03831	20.4
127.05106	2.4
128.03539	31.9
128.05424	1.8
135.05629	5.2
137.07204	2.1
140.05412	1.1
141.06662	2.0
143.04617	45.8
145.06129	2.6
146.04576	4.8
148.56052	1.2
152.05325	1.3
153.06718	2.5
166.09842	2.6
167.04657	2.8
167.08278	2.4
175.02460	3.1
179.04623	10.6
181.06102	1.3
185.05667	1.7
192.07800	1.6
210.08804	11.4
211.09067	11.3
216.77483	1.2
254.07811	17.7
255.08090	8.4
272.06192	2.0
272.08859	21.7
275.04446	1.2
351.67081	1.1
356.11374	1.2
384.12445	3.5
399.13181	3.7
414.20538	1.2
453.14233	1.4
484.18701	2.0
492.15015	1.5
510.16626	16.4
528.17633	100.0
529.17981	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	528.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
59.39484	0.2
61.98828	100.0
64.28003	0.1
66.45574	0.1
69.24149	0.2
69.24554	1.3
71.01403	0.4
88.98785	0.3
89.02433	0.3
96.96016	1.1
101.02455	0.2
114.34439	0.2
119.67533	0.2
120.08203	0.3
123.04541	0.6
125.02407	0.2
134.06143	0.2
135.04491	0.3
135.59560	0.1
136.36853	0.2
153.01965	0.2
160.41374	0.1
164.07182	0.5
167.03523	1.2
168.03902	0.3
174.97264	0.3
181.01485	0.2
182.02229	0.3
183.03018	0.5
192.00594	0.3
234.01614	1.4
235.02324	3.3
236.02888	1.0
245.04411	0.3
246.04863	0.3
293.08749	0.2
327.06839	0.2
329.06689	0.4
330.07224	0.2
345.08432	0.4
397.07764	1.7
398.08054	2.4
399.08350	0.3
468.25284	0.5
491.12097	0.9
492.12286	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	527.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83086	30.4
61.98832	54.0
71.51326	30.0
80.96517	100.0
85.07847	30.0
88.98833	29.7
107.12782	28.4
114.82941	29.9
128.03513	68.6
143.04622	69.9
145.03006	45.2
148.46057	26.6
306.07526	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	528.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40833	0.5
57.03447	0.6
61.98828	100.0
71.01373	0.6
83.01422	0.7
85.02958	0.6
88.98825	0.4
93.03449	0.5
95.01439	0.5
98.19876	1.0
99.00919	0.9
111.00864	0.5
121.02921	0.4
123.00894	1.5
123.04474	0.5
124.01618	0.4
124.65866	0.4
125.02428	5.1
135.04526	0.6
137.02409	0.6
139.00401	1.8
140.01160	5.7
141.01935	19.6
145.51523	0.5
151.00380	1.2
151.04054	1.2
152.01102	0.5
153.01944	1.8
157.45166	0.4
161.02469	0.5
161.06071	6.3
167.03493	0.9
169.01395	0.5
175.04033	0.6
179.03476	0.6
181.01421	0.7
182.02188	1.6
183.02921	1.7
189.05727	0.5
191.03539	2.5
191.05328	0.5
208.03790	2.4
209.04507	2.4
217.05066	2.1
224.10234	0.4
243.03075	0.8
244.03778	0.8
245.04488	3.9
256.55695	0.4
272.09030	0.4
275.05563	0.7
285.04184	1.0
302.08078	1.7
303.07034	9.3
320.23834	0.4
329.08307	0.5
331.04233	0.5
345.08267	1.0
346.08621	0.8
347.08945	0.6
348.09161	0.8
371.09656	3.0
465.14517	27.8
466.14505	1.6
528.13702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80437	0.3
57.03439	0.8
59.01381	6.1
61.98825	0.7
65.67099	0.3
71.01379	4.7
71.44395	0.5
72.99310	0.4
73.02917	0.7
73.66362	0.4
83.01383	0.5
83.05014	0.4
85.02927	0.7
87.00880	2.5
89.02435	3.0
95.05012	0.5
97.06585	0.5
98.03926	0.3
99.00914	0.4
101.02436	3.2
111.08154	7.1
113.02449	2.3
113.09709	0.6
115.00361	3.0
119.03484	0.9
125.09726	0.4
137.09644	0.3
143.03503	0.4
149.09695	0.6
161.04559	1.2
162.44255	0.3
167.10744	1.5
175.02451	7.6
177.12837	1.4
179.05495	0.7
179.10774	1.5
182.02217	1.6
183.02960	2.0
195.13918	5.4
235.08145	0.9
247.20642	2.6
253.09251	15.6
254.09718	0.5
263.20200	1.7
273.18600	1.8
287.76373	0.4
291.19629	100.0
292.19983	4.2
527.21130	1.7
527.28558	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45501	0.3
55.01869	0.7
57.03444	2.5
58.00562	0.3
59.01375	12.7
61.98815	0.4
62.16123	0.3
67.01875	0.9
68.80601	0.3
68.99807	0.8
69.03447	0.7
70.74050	0.3
70.74377	0.6
71.01379	17.4
72.99303	4.9
73.02938	1.3
75.00869	16.1
83.01385	1.1
85.02946	22.8
87.00874	6.6
89.02441	4.2
89.96891	0.3
91.04002	0.4
95.01382	4.9
99.00874	9.4
101.02429	0.5
103.00361	2.7
111.00902	0.7
112.01643	0.5
113.02442	28.7
115.00365	1.9
117.01933	2.2
129.01930	1.8
131.03488	0.4
139.00377	0.6
149.04559	0.4
157.01381	0.9
162.08630	0.3
173.64503	0.3
175.02487	4.1
182.02162	0.4
183.02969	0.5
193.03448	0.7
205.07124	1.8
223.08195	0.9
231.05066	0.7
237.92393	0.4
249.06123	5.8
267.07172	7.1
275.20258	0.4
277.21695	48.6
278.22025	1.7
449.66754	0.3
467.26361	1.0
509.27402	3.5
518.62775	0.4
527.28571	100.0
528.28900	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
52.08720	0.4
59.01381	1.0
61.98826	1.0
62.01134	0.3
68.99814	0.5
69.03447	1.5
71.01385	0.9
71.06918	0.8
73.04852	0.4
77.03965	1.3
81.03452	0.6
83.01382	1.9
85.02924	0.4
93.03465	0.5
95.01361	0.4
95.05042	0.5
96.96001	2.3
97.02951	1.3
99.00882	1.4
108.02176	0.4
109.03013	0.6
110.00074	1.8
111.00890	3.1
111.04522	0.5
121.02940	2.1
123.00874	0.6
123.04532	0.7
125.00727	0.3
125.02424	0.7
129.01927	0.4
133.74226	0.4
134.44823	0.4
136.98819	0.4
137.02444	6.8
138.78688	0.4
139.00380	3.0
139.03946	0.9
140.01189	0.8
141.01930	4.1
151.00404	0.4
151.03961	0.8
153.01915	5.5
155.03571	0.6
165.01926	9.2
165.99092	3.7
166.02698	0.6
166.99811	1.4
167.03500	0.6
177.01904	0.7
181.01428	8.8
182.02199	100.0
183.02966	89.2
184.03325	1.4
187.07785	0.4
193.05106	0.4
194.02190	0.7
195.03001	1.5
199.13364	1.8
207.02969	0.8
225.04065	0.6
310.29764	0.4
327.07135	1.4
345.08347	0.5
527.21295	99.3
528.21606	7.7
532.28723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98838	1.1
63.55751	0.6
65.29919	0.6
67.97080	0.6
71.01379	8.6
71.01732	0.8
71.20120	1.3
72.99313	0.9
73.02944	5.6
75.07227	0.7
81.03461	0.9
83.01383	5.7
85.02959	2.8
87.00879	7.7
88.98818	0.8
89.02451	6.1
95.01392	1.8
96.96023	0.9
96.96954	0.8
97.02953	0.9
97.78082	0.7
99.00883	1.1
101.02441	8.7
113.02439	11.4
119.03516	2.5
123.04536	1.4
125.02449	3.9
131.03506	1.6
143.03525	2.3
149.04482	0.8
161.04579	4.0
167.03532	2.6
175.02411	0.8
179.05649	2.9
179.68781	0.6
203.05617	0.8
203.41119	0.7
204.09933	0.8
220.40193	0.6
221.06616	1.7
257.15955	0.9
289.07141	0.8
305.08777	0.9
323.09900	4.4
341.10876	9.5
358.81989	0.7
365.10800	6.8
383.11920	50.8
384.12396	1.4
425.12964	21.3
426.13559	1.0
491.13907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80231	0.7
59.01213	1.3
59.01492	1.7
61.98950	1.6
65.00143	0.8
65.00429	1.4
69.03543	0.7
69.44827	4.3
71.01498	1.4
72.83767	0.6
73.03036	0.7
81.03204	0.9
81.03610	1.5
83.00996	1.9
83.01556	7.5
85.03055	1.4
89.02576	0.7
94.39799	0.7
95.01516	0.8
96.88026	0.6
97.02583	0.7
97.03126	1.7
99.01049	4.0
101.02638	0.7
107.01519	1.1
109.03129	3.7
111.01059	4.2
114.95345	0.6
120.39129	0.6
121.03113	1.1
123.01016	1.1
123.04633	0.7
123.63191	0.7
125.02633	7.6
135.01086	0.9
135.04756	0.8
136.98987	2.2
137.02638	7.0
137.09906	3.0
139.00380	4.6
139.04137	1.3
140.01312	1.4
141.01962	6.0
151.00351	5.8
153.01929	43.1
154.02524	0.8
155.09605	2.1
155.10767	38.5
163.04047	0.8
165.01918	7.0
165.99193	1.1
166.02875	2.3
167.03673	2.0
168.00752	1.6
176.53093	0.8
179.03560	1.2
181.01425	62.9
182.02199	66.2
183.02966	64.1
184.03409	1.6
186.01785	1.6
195.03143	1.9
199.09764	9.2
207.03027	3.7
213.15039	1.4
225.04195	1.1
249.04053	1.4
285.06354	1.1
287.16110	0.7
295.04553	2.0
327.07187	100.0
328.07443	3.3
345.08234	20.9
346.08630	1.6
375.16113	0.7
443.15158	1.8
459.12772	0.7
485.16052	1.2
491.11502	1.4
527.17206	68.5
528.17120	4.4
551.70795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01376	9.9
68.08906	0.6
70.99435	1.6
71.01382	12.7
72.99299	2.0
73.02970	1.3
79.96076	0.7
83.01386	1.3
85.02946	1.6
87.00872	24.7
89.16059	0.7
92.96983	0.6
99.96255	0.8
101.02441	1.0
105.01948	0.9
109.88019	0.7
112.98792	0.9
115.00371	37.1
135.03024	1.2
147.02974	0.9
160.36012	0.7
175.02467	100.0
176.02917	0.9
219.35036	0.8
267.06543	0.8
279.06711	1.0
291.06616	10.6
291.19693	1.4
293.08041	0.9
297.69684	0.8
303.06613	1.4
320.06808	1.0
325.94592	0.7
333.11353	2.0
335.12860	23.0
336.13306	1.2
351.12347	4.4
363.12491	4.4
365.14023	1.8
377.13712	0.9
391.11505	1.2
393.13345	1.2
395.14807	1.3
423.14349	1.7
448.80429	0.8
483.16495	7.9
518.85657	0.8
527.15936	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	527.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79281	0.9
59.01373	7.6
59.26142	0.8
61.98806	2.4
67.84807	0.9
69.53590	0.8
71.01384	13.2
72.99280	1.3
73.02940	1.2
78.96642	0.9
81.18147	0.8
85.02933	1.3
87.00874	22.4
101.02431	1.0
102.56149	0.8
113.76163	0.8
115.00367	37.6
175.02466	100.0
176.02806	1.9
179.86444	0.9
182.02199	4.8
183.02988	6.5
184.03084	2.0
185.03387	1.5
202.93005	1.0
279.06607	2.3
291.06531	1.6
291.19611	1.2
323.12860	2.9
335.12787	3.7
351.12262	4.1
527.20569	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	527.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	7.7
59.29617	7.2
59.55863	7.1
59.87565	8.1
61.98827	100.0
64.93153	6.7
71.52551	8.9
78.91886	45.9
78.95931	11.4
87.60817	6.6
108.26075	6.2
109.02934	9.4
118.02396	7.3
136.46863	6.1
149.55934	6.4
151.00346	10.6
153.01958	9.2
156.30559	6.7
161.02414	8.2
182.02098	9.4
183.02892	14.9
202.09399	7.1
217.05124	8.5
221.19067	7.9
223.02412	6.8
234.01622	23.5
235.02371	14.3
236.68849	7.8
243.03069	9.5
245.04491	49.2
255.02945	9.1
257.07205	7.1
257.79581	7.1
271.02374	27.4
285.04013	10.4
300.02780	53.9
301.03464	46.2
329.06503	32.0
345.08392	8.8
386.89624	7.6
397.07956	11.5
447.09235	90.3
491.11957	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32697	0.5
59.01376	4.2
65.00323	15.1
71.01363	0.5
71.51852	0.8
81.03459	6.4
83.01382	17.0
96.68356	0.4
99.54884	0.5
108.99285	0.9
109.02943	5.5
111.00872	4.3
115.33443	0.4
125.02417	1.5
135.00879	3.7
136.98801	19.9
152.01141	0.9
153.01926	100.0
154.02267	1.6
167.03485	1.9
181.01437	4.7
182.02208	2.1
183.02975	1.2
197.00903	29.2
198.01262	0.7
208.00008	0.8
210.01793	0.6
235.02402	0.8
261.53537	0.5
318.03891	1.0
345.08246	2.0
371.06131	1.7
383.06732	0.5
383.11832	1.4
425.13016	0.7
465.09781	0.7
483.11398	2.0
509.09616	2.2
527.10260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83281	3.2
59.01376	9.0
67.67425	3.4
71.01379	3.7
71.52508	3.9
74.34937	3.2
86.49820	3.0
93.03435	4.1
109.02983	3.8
119.05027	9.5
125.02465	6.2
133.02904	5.5
135.04521	9.9
153.01917	27.4
161.02440	24.4
163.03955	6.6
165.01953	8.4
169.01381	7.0
176.39523	4.5
179.03491	13.6
181.01401	37.3
181.04994	3.5
182.02217	58.2
183.02980	69.4
225.07864	3.4
234.01686	11.6
235.02391	10.7
315.70593	3.5
327.07236	51.0
328.07635	4.1
345.08264	100.0
346.08618	5.0
365.15918	3.7
397.07669	10.4
491.12015	20.5
509.17188	3.5
527.19379	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	527.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	7.7
59.29617	7.2
59.55863	7.1
59.87565	8.1
61.98827	100.0
64.93153	6.7
71.52551	8.9
78.91886	45.9
78.95931	11.4
87.60817	6.6
108.26075	6.2
109.02934	9.4
118.02396	7.3
136.46863	6.1
149.55934	6.4
151.00346	10.6
153.01958	9.2
156.30559	6.7
161.02414	8.2
182.02098	9.4
183.02892	14.9
202.09399	7.1
217.05124	8.5
221.19067	7.9
223.02412	6.8
234.01622	23.5
235.02371	14.3
236.68849	7.8
243.03069	9.5
245.04491	49.2
255.02945	9.1
257.07205	7.1
257.79581	7.1
271.02374	27.4
285.04013	10.4
300.02780	53.9
301.03464	46.2
329.06503	32.0
345.08392	8.8
386.89624	7.6
397.07956	11.5
447.09235	90.3
491.11957	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56404	0.9
59.61416	1.1
61.98823	4.4
70.26339	3.6
82.42901	0.9
91.63193	0.9
98.20590	1.0
107.01408	2.8
109.02898	2.2
125.02475	1.6
129.49384	1.0
131.04472	1.0
133.71436	0.9
135.04538	5.0
136.04852	1.9
137.02391	2.9
137.53796	1.0
144.11230	0.9
151.00357	9.0
152.01099	1.2
163.00371	3.0
164.01126	1.9
165.01932	1.4
172.60925	1.0
178.17166	1.0
178.99817	7.5
181.01437	2.1
182.02200	7.0
183.02867	9.4
184.03319	3.3
192.00516	1.2
214.02698	1.2
242.02223	2.4
243.02896	3.8
255.02950	4.4
259.02463	2.3
270.01587	1.3
271.02481	24.0
272.02957	1.6
287.01892	8.1
288.02496	1.2
300.02689	23.0
301.03424	9.5
316.02219	34.8
317.02960	15.4
327.07120	3.0
328.07568	2.0
344.02441	1.0
345.08240	7.0
346.08548	9.7
349.07114	1.0
463.08789	100.0
464.08966	5.3
496.11514	2.0
508.11594	2.6
526.12512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31452	1.6
61.98822	8.3
69.62377	8.5
85.58450	1.9
151.00357	5.5
153.01903	6.0
164.01123	2.3
165.99074	2.0
178.99928	1.9
181.01437	13.5
182.02179	5.4
183.02933	3.4
201.01906	5.6
203.03416	2.3
208.00249	2.1
212.82025	1.5
227.03505	5.4
231.02922	7.0
243.02776	1.9
255.02965	3.0
271.02441	57.3
272.02786	2.8
279.94876	1.7
299.01932	100.0
300.02307	4.9
301.03595	2.5
316.02191	11.1
317.02866	4.8
318.03473	2.4
334.08069	2.0
345.08276	5.6
371.06134	4.9
463.08704	37.8
464.09290	2.1
483.11554	2.8
509.08957	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	525.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54185	0.5
57.46781	0.5
59.01352	1.5
61.98814	1.1
69.03445	1.0
74.80607	0.4
75.62199	0.5
76.83051	0.5
77.03944	1.0
81.03437	1.0
83.01373	2.8
85.02942	0.9
90.64024	0.5
91.65364	0.5
93.03461	0.6
95.01373	0.7
97.02949	1.3
98.19872	1.1
99.00868	1.4
109.02918	0.7
110.00101	1.2
111.00845	2.7
117.80225	0.5
121.02953	2.3
125.02397	0.7
136.54921	0.6
136.98767	0.9
137.02438	7.0
139.00374	3.9
139.04027	1.0
140.01144	1.0
141.01932	4.4
151.04008	0.7
153.01932	6.5
159.72676	0.5
165.01910	8.1
165.99086	3.4
166.02699	0.7
166.99835	2.3
167.03484	1.0
180.99950	1.0
181.01428	9.9
181.02962	0.4
182.02193	100.0
183.02965	89.1
184.03383	1.2
194.02176	0.9
195.02975	2.0
196.03212	0.6
197.11830	2.2
207.02916	0.7
225.04144	0.6
232.63527	0.5
310.70151	0.7
327.07153	1.2
345.08173	1.0
525.19745	86.1
526.20227	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	525.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00603	3.2
59.01376	5.4
60.99294	10.1
61.98828	3.7
67.61451	3.5
70.06026	8.3
70.06416	6.5
71.01382	8.3
85.02943	15.8
87.00877	23.6
88.98802	64.6
110.50834	3.0
115.00388	18.3
129.01938	3.6
139.74483	3.2
157.01399	27.4
175.02446	6.6
277.21698	51.6
406.35587	3.4
435.23837	100.0
436.24057	7.8
481.49112	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	525.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62949	1.7
57.03436	1.6
58.00611	3.5
59.01379	63.8
61.98824	13.9
71.01377	50.6
71.53082	1.8
71.53471	1.8
73.02945	16.9
73.97807	1.3
75.00808	1.4
78.95883	1.3
83.01383	3.9
85.02949	5.9
87.00858	1.4
88.98795	8.8
89.02441	100.0
89.90820	1.3
90.60496	1.5
93.66257	1.6
97.02998	1.5
99.00877	32.3
101.02442	41.1
113.02454	9.4
117.03503	2.7
119.03501	3.6
119.04998	5.1
125.02415	6.2
131.03499	17.4
133.02939	4.2
134.03770	1.8
135.04549	12.0
137.02458	1.7
143.03438	4.1
145.02936	5.0
149.04555	87.9
150.04903	1.5
151.00349	4.3
151.03934	1.4
153.01927	4.8
160.01613	2.9
161.02483	14.1
161.04530	6.3
163.04005	6.5
167.04767	1.4
169.01398	1.5
175.04025	2.8
179.03435	3.9
181.01378	2.5
182.02193	6.9
183.03139	8.4
184.02608	2.3
185.03345	3.2
186.03285	1.3
191.05612	19.1
203.03461	2.5
203.36969	1.2
209.11861	1.4
210.97232	1.4
211.13414	2.2
221.06653	8.0
231.58893	1.4
251.07762	6.5
266.46811	1.3
293.08643	2.0
311.09857	5.6
323.07632	5.2
328.07559	2.4
329.07703	1.9
330.07925	2.7
331.08051	2.7
341.08588	2.2
345.08383	6.0
363.09042	1.7
462.13889	2.1
524.35596	2.1
525.12891	1.9
525.19696	7.4
525.35236	2.7
526.19000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75455	0.6
59.01395	1.0
61.98833	1.3
62.10911	0.6
63.85828	0.6
69.03465	1.6
69.40842	1.1
69.41253	3.8
71.01378	1.5
77.03979	1.6
83.01401	2.7
85.02946	0.7
97.02937	1.7
99.00880	1.4
109.02935	0.8
110.00098	1.4
111.00878	3.0
111.04539	0.8
113.02473	0.7
121.02950	2.7
133.02963	1.4
135.04529	1.8
137.02451	7.6
139.00368	2.8
139.04010	0.9
140.01216	1.2
141.01927	4.2
151.03964	1.0
153.01938	5.6
161.02417	2.5
162.02831	1.0
163.11272	0.8
165.01932	8.5
165.99133	3.5
166.02710	0.8
166.99841	2.2
167.03487	1.3
177.01788	0.7
179.03458	1.8
181.01427	10.1
182.02202	99.4
183.02966	96.9
184.03285	2.2
191.14403	0.7
195.03008	2.2
197.11868	2.4
207.03000	1.0
235.09619	0.8
245.19081	1.0
253.09363	1.9
266.54666	0.6
289.18118	7.0
303.79718	0.9
318.77771	0.6
327.07245	1.9
345.08304	1.0
432.24771	1.3
483.30035	0.7
524.29626	2.1
525.19702	100.0
525.28864	4.2
526.20276	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	525.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93342	0.8
62.75786	0.9
69.48269	4.6
69.48686	2.2
72.99294	2.4
76.00140	1.1
83.01385	1.6
94.38340	0.9
97.02900	1.2
99.00889	1.4
103.86989	1.0
109.02941	7.5
110.60708	0.9
111.00874	1.2
113.02454	1.1
123.04555	1.4
125.02422	1.3
135.04515	16.1
137.02426	9.3
139.04033	2.3
141.01897	3.7
151.03932	1.1
152.04770	5.2
153.01926	4.8
165.01932	9.9
167.03526	1.8
179.03462	1.7
180.04424	1.5
181.01436	5.5
181.05058	9.6
182.02194	57.7
183.02971	57.7
183.04344	0.7
184.03584	1.5
195.02956	2.9
196.03728	1.4
197.04599	1.6
208.01912	2.0
208.03751	23.1
208.05753	1.4
209.04520	12.5
220.49158	1.0
285.04022	2.2
286.04462	2.4
303.07254	1.6
312.20309	1.4
318.07492	1.1
327.07309	5.5
345.08240	100.0
346.08572	3.9
371.09763	24.4
462.07367	1.3
507.08743	1.0
525.05316	1.2
525.12543	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	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58162	0.5
53.63237	0.6
59.01364	1.2
61.98823	0.8
62.98004	0.5
67.71609	0.5
69.03445	0.8
71.01385	0.8
73.02926	0.7
75.43962	0.5
81.03436	0.7
83.01392	3.4
85.02936	0.9
93.03452	0.5
93.63654	0.6
93.77987	0.5
95.01413	0.5
97.02962	0.7
99.00890	1.7
101.02458	0.6
107.05022	1.1
109.02940	1.5
111.00868	2.1
113.02415	0.8
120.96501	0.5
121.02936	1.8
123.04538	1.7
125.02405	1.1
129.24445	0.5
133.02959	0.6
134.03734	1.2
135.04520	46.7
136.04825	1.0
136.98756	0.7
137.02454	4.1
139.00371	1.8
139.03992	1.8
140.01152	1.2
141.01944	4.5
149.02408	1.2
151.03946	0.8
153.01918	16.5
153.05562	4.3
155.03557	0.7
161.02419	1.0
165.01900	5.9
165.99049	0.6
166.02626	1.2
166.99854	1.2
167.03487	2.1
177.01959	1.1
179.03487	7.5
181.01422	24.1
182.02199	70.8
183.02966	80.1
184.03302	1.8
193.01349	0.8
194.02094	0.5
195.02989	2.2
195.57669	0.6
197.04515	1.1
207.02919	1.9
207.04906	0.6
220.10413	0.5
225.04076	1.0
233.15855	0.5
249.04144	0.7
285.06085	0.9
288.06482	1.4
300.06473	0.7
303.07269	0.7
327.07184	32.0
328.07465	0.7
345.08234	100.0
346.08566	3.6
386.84555	0.6
437.32468	0.7
495.11404	17.4
496.11813	1.0
507.11386	17.0
508.11945	0.8
525.12347	8.9
525.19507	0.6
525.28668	0.7
526.13019	1.0
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
59.01372	1.0
59.07194	0.6
69.03448	1.2
69.33229	0.5
69.96179	2.8
71.01360	1.0
72.99313	1.2
75.00858	0.8
81.03452	0.9
83.01383	1.9
85.02945	1.2
86.73980	0.6
97.02947	1.3
99.00869	1.9
101.02422	0.8
105.44477	0.6
107.04999	0.6
108.02148	0.8
109.02945	11.3
111.00858	2.5
111.04486	0.8
121.02916	1.4
123.04534	1.2
124.01673	0.6
125.02444	1.0
135.04510	15.7
137.02434	11.7
139.00340	1.5
139.03961	3.2
140.01190	0.9
140.64397	0.7
141.01929	6.3
150.03221	0.6
151.03998	1.4
152.04771	6.6
153.01970	4.6
155.03436	0.9
163.03987	1.6
165.01918	15.9
165.05602	1.3
165.99104	1.1
166.02638	1.1
166.99844	0.9
167.03461	2.3
179.03468	2.5
180.04256	1.9
181.01457	6.5
181.05054	12.4
182.02194	74.7
183.02965	76.8
184.03551	2.6
193.01381	1.0
193.04990	0.9
194.02208	1.3
195.02966	3.3
196.03740	1.7
197.04486	1.3
207.02945	1.4
208.03760	31.1
209.04533	20.1
210.04939	1.0
216.70874	0.6
221.04521	1.1
225.03958	0.7
246.96851	0.6
259.90244	0.6
264.84650	0.6
303.07288	1.2
318.07428	1.6
327.07269	4.0
345.08224	100.0
346.08667	3.8
362.06403	0.8
371.09802	27.5
372.10544	0.9
453.07974	0.7
525.12408	11.8
526.13049	1.0
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
51.42908	0.4
59.01389	0.9
65.00341	0.5
70.20295	1.2
71.01362	0.9
81.03465	0.6
83.01392	2.1
85.02950	0.7
95.01388	0.5
97.02937	1.5
98.20577	0.4
99.00862	1.4
99.51924	0.5
109.02962	2.7
109.53522	0.4
111.00889	1.2
113.02440	0.7
113.05383	0.4
113.25094	0.4
117.95966	0.5
121.02926	1.4
125.02430	0.8
127.03983	0.5
133.02946	0.9
134.03711	1.0
135.04523	34.6
136.04901	0.5
136.98764	1.1
137.02432	9.6
139.00346	1.6
139.03998	1.0
140.01169	0.5
141.01941	3.3
151.04008	0.6
153.00713	0.7
153.01935	11.7
161.02374	2.0
163.04024	0.4
165.01894	4.4
165.99059	0.9
166.02626	0.5
166.99886	0.6
167.03448	2.2
169.03578	0.5
170.71143	0.5
179.03424	1.0
180.99773	0.7
181.01418	15.9
182.02196	57.5
183.02971	62.2
184.03258	1.0
195.03032	2.9
196.03769	5.9
207.02983	1.1
209.04486	0.5
225.03995	0.8
301.07126	0.7
303.07434	0.5
319.08301	0.6
327.07190	18.2
328.07419	1.0
345.08243	100.0
346.08649	3.3
352.45850	0.4
363.07162	1.3
387.09332	9.7
507.11371	4.9
522.94519	0.5
525.12433	11.4
526.12903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02783	1.1
53.06578	1.2
57.03432	5.2
58.05504	1.3
61.98843	2.8
69.21124	5.5
69.21550	6.1
71.01375	5.9
71.04999	3.6
72.65276	1.2
83.01390	1.7
88.04042	34.5
93.03487	2.0
95.01357	2.1
96.68359	1.3
97.02969	3.2
99.04495	1.9
109.02937	8.2
109.57305	1.5
111.04504	2.9
112.00290	1.3
121.02936	2.2
123.00878	3.4
123.04502	2.2
124.01659	2.3
125.02444	58.8
137.02441	21.2
137.87758	1.2
138.03244	1.4
139.03987	11.4
146.08235	17.1
147.04503	1.2
149.06079	2.1
151.04010	2.3
153.01923	4.7
159.04440	1.8
163.03958	1.8
164.01114	4.5
165.01953	14.5
167.03490	14.1
169.63464	1.3
175.07718	1.4
177.01968	2.2
179.03497	11.0
191.07043	1.4
201.05582	1.8
203.03552	1.4
204.04283	2.7
210.07661	2.0
218.10326	48.7
219.06638	9.6
221.04500	5.0
250.87477	1.4
261.07712	2.9
305.06650	100.0
306.06976	3.9
372.12921	3.1
419.81894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.6
67.01887	3.3
69.03452	1.6
69.55131	6.8
71.01373	1.3
77.03960	1.5
82.57970	1.1
83.01379	4.7
85.02888	1.1
97.02949	2.6
98.19923	2.4
99.00850	1.4
109.02963	5.6
111.00854	3.8
121.02940	2.4
123.04555	1.4
125.02417	1.8
137.02428	6.9
139.00323	2.5
141.01923	5.8
151.04008	2.5
153.01906	9.4
165.01923	9.1
165.99095	3.1
166.07570	1.1
166.99911	1.8
167.03430	1.9
169.01399	1.5
175.05397	1.1
177.01851	1.5
179.03448	1.1
181.01373	9.2
182.02200	100.0
183.02969	97.5
183.04337	1.3
184.03244	1.5
195.02939	3.0
199.55981	1.1
225.04309	1.3
225.98230	1.3
261.59293	1.2
313.08221	1.5
327.07147	6.0
345.08127	23.4
346.08502	1.1
390.98978	1.4
481.09824	78.9
482.10107	5.3
493.14651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01371	1.8
61.98824	6.1
63.44852	0.5
65.00320	12.0
67.01890	0.7
68.99860	0.5
69.03437	0.9
69.35416	0.4
70.70499	0.8
70.70835	0.6
71.01385	1.3
73.02909	0.4
75.00823	0.5
75.10571	0.4
81.03455	9.2
83.01385	23.2
85.02962	1.4
87.00865	1.4
88.98811	0.8
93.03465	1.1
95.01385	0.7
96.96027	0.7
97.02955	1.0
99.00867	1.3
101.02440	0.7
107.01400	0.8
109.02953	3.3
111.00890	6.1
112.98785	2.3
113.02415	0.9
121.02955	1.2
123.04487	0.7
125.02464	2.5
133.03014	0.8
135.00867	3.4
135.04526	0.5
136.98807	16.7
137.02432	4.1
139.00397	0.8
139.03975	0.9
140.01146	0.9
141.01970	3.7
149.02386	0.8
149.95551	0.5
151.00401	0.5
151.04031	0.7
151.71771	0.4
153.01927	100.0
154.02286	1.6
161.02411	0.8
163.04053	0.6
165.01936	4.0
165.05563	0.7
165.99075	1.1
166.99825	1.0
167.03505	0.5
169.01385	0.6
177.01768	0.5
178.99832	0.6
179.03467	0.9
181.01410	5.6
182.02197	42.4
183.02969	53.8
184.03302	1.1
186.01675	0.7
193.05090	0.5
194.02187	0.7
195.03006	1.0
197.00900	33.4
198.01241	1.2
205.05057	0.9
207.03049	1.1
208.00134	0.5
211.13490	0.6
225.03928	0.6
237.07712	0.7
255.03256	0.5
255.73749	0.5
259.05899	0.7
261.06403	1.0
281.06583	0.5
285.06308	0.5
309.06116	1.2
327.07208	15.3
341.05151	2.2
345.08237	21.8
397.07700	1.3
413.07303	6.2
429.10303	0.9
441.06622	4.0
443.15637	2.5
481.09933	0.9
483.07666	3.0
497.09164	0.7
508.17026	1.2
525.08795	44.4
525.14868	1.6
526.09039	2.7
526.17358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
60.99298	1.1
61.98530	1.6
61.98827	16.5
63.30022	0.9
63.47691	0.9
67.01885	1.0
69.33027	6.8
71.01379	5.0
72.99308	1.3
75.00886	1.4
83.01423	1.2
85.02941	6.9
86.53874	1.2
87.00868	2.2
88.98797	8.3
89.99088	1.2
93.03484	1.7
95.01389	2.2
97.72728	1.0
98.20727	1.4
98.52612	0.9
99.00881	3.4
103.00389	2.0
107.01376	1.4
109.02938	2.9
113.02442	13.5
113.26350	0.9
115.00429	1.2
135.00847	1.4
135.04449	1.4
137.02484	2.1
151.00337	1.0
153.01961	2.7
159.04581	1.2
163.00366	1.1
165.01869	1.0
169.06607	1.1
175.02477	4.0
181.01337	2.5
182.02185	8.0
183.02975	7.6
185.06042	2.0
187.03952	1.9
189.05643	1.5
195.04565	1.1
197.04517	2.0
208.03745	2.0
209.04599	2.0
211.04039	1.5
213.05496	2.9
227.03435	2.2
229.05070	8.4
239.03459	1.4
241.04985	1.0
255.02922	1.3
257.04559	7.5
267.02994	1.4
272.02908	2.3
285.04034	100.0
286.04422	3.7
300.02670	3.0
301.03131	5.1
302.03784	1.4
327.07126	3.1
345.08252	14.0
371.09879	2.6
434.08109	7.9
435.54147	1.0
461.07248	30.8
462.07623	1.9
524.10962	1.6
525.12451	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60610	0.8
59.01380	7.3
61.98816	1.1
67.63324	0.6
71.01386	11.7
71.51150	1.0
72.99306	1.5
83.01385	0.9
87.00874	22.6
99.36056	0.8
105.19061	0.7
115.00370	39.9
115.64387	0.8
121.76175	0.9
143.04597	1.3
153.86459	0.9
162.39717	0.7
175.02466	100.0
176.02809	1.0
179.72464	0.7
277.21875	1.5
286.12433	0.8
303.06613	0.8
347.12402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98345	0.6
59.01386	0.8
61.98830	2.2
66.84937	0.7
71.01371	1.5
71.52519	1.2
77.03957	1.1
83.01385	2.8
85.32355	0.8
93.03442	0.9
94.82909	0.8
97.02913	1.3
99.00875	1.2
102.31353	0.8
109.02943	1.6
110.00079	0.9
111.00880	3.1
121.02909	1.0
123.04520	0.9
137.02440	5.8
139.00385	3.0
139.04018	1.2
141.01930	4.0
151.04031	1.2
153.01964	3.9
165.01935	8.0
165.99069	2.5
166.99812	2.0
167.03482	0.8
174.01744	1.0
181.01414	8.5
182.02206	100.0
183.02972	83.9
184.03282	1.0
194.02217	1.0
195.02884	1.5
195.10287	1.8
233.04514	1.4
235.09692	2.4
262.08472	2.4
263.09116	2.1
327.07040	1.6
332.29678	0.7
345.08344	0.9
425.14545	5.4
523.18097	83.6
524.18591	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	523.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.5
70.53275	1.7
83.01382	2.7
85.02995	0.7
97.06580	4.3
99.32919	0.5
124.01669	0.8
137.02496	1.9
138.03258	1.1
141.02013	0.7
147.08218	0.5
150.03233	2.9
152.01254	0.8
152.69528	0.5
153.01953	1.3
154.69958	0.6
163.04012	5.0
163.11319	1.0
164.04895	2.2
165.01884	5.0
166.02766	2.3
170.02324	0.9
177.05637	2.5
178.02695	3.5
179.03584	1.8
181.01448	1.2
182.02173	7.7
183.02954	7.7
187.04083	0.7
190.02711	0.6
191.03444	5.4
191.07109	1.2
192.04282	3.3
193.08839	0.8
195.03056	0.8
201.05722	0.6
205.05035	12.4
205.06805	0.9
206.09430	3.0
207.03050	3.5
207.04825	0.7
217.08778	1.6
219.06731	1.8
219.10284	0.8
221.04672	0.7
221.08168	0.8
233.04523	24.7
233.08287	1.2
234.05130	0.7
234.09042	2.4
235.09721	47.0
236.10274	1.0
247.06238	1.0
247.09894	0.6
261.07755	2.0
262.08423	49.6
263.09198	47.5
264.09851	2.4
275.09335	1.5
291.08789	1.1
295.22736	1.7
331.11993	0.7
331.15500	2.8
332.16248	0.7
343.15375	0.7
345.08185	9.8
360.15631	3.0
361.16483	2.0
369.08392	0.8
407.13477	1.2
425.14484	100.0
426.15100	11.0
523.21674	26.3
524.22211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52682	0.7
55.76192	0.7
57.03432	0.9
59.01373	3.2
61.93674	0.6
61.98804	1.5
65.00317	1.2
69.03426	0.8
69.41316	5.0
71.01383	3.6
77.03953	1.1
81.03457	2.3
83.01380	6.1
85.02937	2.1
89.02450	0.9
91.46014	0.6
93.03436	0.9
95.01373	1.8
97.02957	2.0
97.94514	0.6
98.20863	0.6
99.00880	2.3
101.02442	1.4
105.01914	1.3
107.01413	0.7
108.02202	0.7
109.02957	5.4
110.00111	0.7
111.00862	4.6
113.02436	1.6
114.05528	0.6
119.05016	1.0
121.02930	4.7
123.00879	2.1
123.04514	1.1
125.02453	3.5
133.02925	1.1
135.00916	1.2
135.04506	2.9
136.05295	8.2
136.98810	3.2
137.02432	9.8
139.00380	4.3
139.03976	2.0
140.01180	0.8
141.01941	4.2
149.02504	0.8
151.00320	1.8
151.04073	1.8
153.01927	48.4
160.01643	0.7
160.44705	0.6
161.02448	1.8
163.04015	1.4
165.01906	11.8
165.99060	2.7
166.02682	2.6
166.99889	1.3
167.03471	1.9
169.01422	1.9
175.04063	0.7
177.05547	0.8
179.03519	1.3
181.01419	63.6
182.02196	100.0
183.02966	90.8
184.03329	2.2
186.01660	0.7
191.03419	0.7
193.05074	1.7
194.02170	1.1
195.03001	2.4
195.06610	9.2
207.02968	3.6
225.04073	1.6
234.01660	1.2
235.02156	1.6
237.03024	1.1
249.03989	1.0
285.06354	1.0
306.07751	0.8
327.07187	76.4
328.07614	2.4
345.08234	96.8
346.08533	2.4
361.08963	0.8
399.08243	2.2
405.52051	0.7
522.33295	0.9
523.14581	25.4
523.21381	4.9
523.34680	1.5
524.14752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1455
Annotation	Barbatoflavan
Peak:m/z	Relative Intensity
59.01375	1.0
61.98804	0.9
71.01394	0.8
71.29240	0.8
81.03493	0.4
83.01373	1.9
85.02975	0.4
93.03461	8.4
95.01398	0.4
100.44746	0.3
101.04985	0.4
106.99679	0.3
109.02973	0.9
111.00883	2.8
119.05042	1.5
120.26476	0.3
121.02946	0.4
137.02461	2.0
138.03224	0.7
139.04034	0.5
141.01923	0.8
145.02875	0.4
147.04555	0.5
149.02480	0.5
150.03246	0.9
153.01941	3.6
161.02434	0.4
163.04031	0.5
164.04753	0.5
165.01913	12.1
166.02678	1.4
167.03471	3.7
171.04501	4.2
177.05576	0.7
178.02649	0.4
179.03442	1.1
181.01372	1.5
182.02193	4.3
182.07477	0.3
183.02994	4.8
185.06076	1.2
187.07660	0.5
193.01430	1.7
194.02200	1.2
195.02962	4.5
200.04897	0.4
201.05573	0.4
203.03468	0.4
206.02122	0.7
207.02954	1.9
207.04774	0.5
209.00887	2.7
213.05508	0.4
215.03488	0.4
215.07083	0.9
217.05051	1.1
218.99367	0.5
221.00926	2.7
222.01662	1.6
222.72592	0.5
229.05003	0.8
230.05766	0.9
234.01704	4.0
235.02473	6.1
239.05389	0.4
241.05032	3.6
242.05518	0.4
243.03021	4.8
243.06638	1.6
245.04552	0.4
254.04320	0.5
257.04590	0.8
258.05289	1.0
259.06094	81.9
260.06448	2.9
265.03372	0.4
266.04291	12.3
267.05170	2.7
269.04434	0.3
271.05945	0.6
273.07736	3.1
283.05679	0.4
285.07666	0.6
286.04739	0.8
287.05597	61.6
288.05984	2.4
300.06335	1.4
301.06982	3.0
311.05576	0.8
315.08411	0.6
327.05084	0.8
328.05850	2.1
329.06674	6.2
331.08438	0.8
339.06390	0.4
343.08099	0.5
355.08185	0.7
359.07733	1.5
360.08478	53.4
361.09241	27.8
362.09619	1.1
373.09476	0.4
385.09341	0.4
397.07672	1.1
429.10315	15.4
430.10770	0.5
491.11761	1.6
505.13361	1.0
523.14532	100.0
524.14886	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	523.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94014	0.5
65.00321	17.0
67.01894	0.7
69.31958	3.1
75.48290	0.4
81.03445	6.4
83.01385	14.6
98.19900	0.7
108.99283	0.9
109.02967	3.6
111.00892	4.7
111.60271	0.4
120.04556	0.5
125.02457	0.9
135.00879	5.0
136.98802	19.5
145.02979	0.5
153.01930	100.0
154.02267	1.7
169.60942	0.5
197.00893	24.6
198.01265	0.6
210.09967	0.5
215.10834	0.5
227.90413	0.5
289.55188	0.5
462.81976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94479	0.5
59.01355	1.0
59.46722	0.5
61.98820	1.3
66.59505	0.5
71.01408	0.7
71.51575	0.7
78.65554	0.5
78.95884	2.4
80.69833	0.5
83.01388	1.0
87.00853	0.7
89.02458	0.7
111.00903	1.6
116.92834	1.2
117.03474	0.9
119.05024	64.2
120.05336	1.0
125.02464	0.9
135.04449	0.6
145.02963	6.3
153.01917	2.6
163.04005	100.0
164.04327	2.4
175.02571	1.0
176.03075	0.5
181.01399	2.2
191.02017	1.2
197.00821	0.9
205.05080	0.8
288.06378	1.2
304.67743	0.6
308.88245	0.5
325.09274	47.6
326.09647	1.7
349.13196	1.4
415.45847	0.7
487.14023	1.0
523.12299	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	523.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98844	0.3
64.56448	0.2
69.03462	1.2
71.01362	0.8
71.51810	0.3
73.84062	0.2
83.01388	1.2
85.02934	0.4
89.02452	0.3
97.02943	1.1
99.00867	0.4
101.02419	0.5
101.59177	0.3
106.81329	0.2
107.01407	0.5
109.02920	0.4
111.00917	0.3
113.02434	0.4
119.05036	0.3
121.02915	0.3
124.01639	0.3
125.02408	1.0
135.04532	0.3
136.98813	0.4
137.02400	0.4
145.02954	0.3
152.98241	0.3
153.01909	3.8
154.99898	0.3
163.03934	0.4
165.01950	0.3
169.01408	20.0
170.01810	0.4
175.02429	0.6
178.99808	0.5
181.01419	4.4
182.02171	2.1
190.85637	0.3
193.01424	0.7
195.03024	0.5
197.00894	100.0
198.01654	13.5
198.03064	0.1
199.02473	2.7
211.02501	0.4
215.54747	0.3
221.51230	0.3
223.02650	0.5
343.06717	0.7
359.06381	0.5
360.06958	12.4
361.07654	4.1
442.67105	0.3
487.14520	0.4
523.13000	70.4
524.13324	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	523.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
60.99309	2.2
61.98820	3.6
69.80117	8.9
71.01369	3.8
72.12331	2.1
83.75786	2.0
88.98810	13.6
101.02412	3.2
109.02894	3.1
117.03459	6.3
119.05008	39.7
133.02948	27.3
134.03697	3.2
135.04512	69.3
137.02443	3.2
145.02956	24.3
161.02428	100.0
161.03775	5.1
162.02780	3.8
162.78326	2.1
163.04001	41.7
167.03554	2.1
177.05525	2.6
179.03488	68.2
183.02866	3.7
187.03947	3.6
187.39777	2.2
196.66251	2.5
203.03474	9.7
206.02112	7.1
208.43398	2.2
222.24225	2.7
303.06674	2.3
309.92920	2.3
323.07678	34.6
341.08698	7.3
361.29346	2.3
431.09818	3.6
487.12463	56.9
488.12625	6.8
523.13580	5.0
523.20978	8.1
523.34644	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	522.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	27.7
74.79268	4.8
78.95937	5.5
98.20707	7.1
112.40412	4.8
115.37291	4.9
135.06157	4.2
137.02483	5.5
143.04620	6.4
145.02953	6.4
161.02393	5.7
165.01930	9.4
179.03433	6.0
182.02208	7.1
207.02953	14.4
207.06609	6.2
209.11722	6.8
213.77531	4.4
235.06200	9.1
235.09770	11.0
237.11342	14.9
262.08362	7.7
263.09167	10.4
264.10019	54.7
265.10648	23.2
291.19849	9.8
306.07925	8.7
307.92291	4.2
360.19073	6.8
366.14929	4.8
425.14594	13.3
427.16071	100.0
523.17572	9.5
523.29187	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	522.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00940	0.5
59.01373	0.6
61.98827	100.0
69.21650	4.8
69.89629	0.5
78.95902	1.7
83.01383	0.6
95.69213	0.5
98.20610	1.2
105.18398	0.5
117.03495	0.7
119.16832	0.5
145.02963	6.5
152.99582	1.6
177.33368	0.5
200.91298	0.7
206.00139	0.6
265.43988	0.5
274.74118	0.6
372.18268	0.6
459.27408	4.9
522.20349	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	522.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06782	0.9
61.98829	100.0
71.51471	1.5
78.95888	1.2
81.38226	1.0
99.00867	1.1
117.03481	1.7
119.38288	1.0
145.02946	10.7
152.99571	1.9
228.55753	1.1
271.89505	1.2
305.88745	1.1
355.21396	1.0
459.27530	11.8
460.27945	1.4
478.44073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39990	0.5
71.20938	0.9
77.14629	0.4
78.95901	42.2
80.15872	0.4
88.98814	2.0
96.96954	5.1
104.41154	0.5
105.28455	0.5
150.98027	1.3
152.99576	100.0
153.99928	0.7
171.00629	3.8
180.40073	0.4
194.73799	0.6
205.31119	0.4
208.06966	0.5
254.05801	9.8
281.24866	1.4
433.23700	1.1
435.25134	27.3
436.25571	1.2
522.28467	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	523.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.8
60.99303	15.3
61.98532	1.7
61.98826	16.4
65.00333	1.2
71.01380	11.2
71.18276	2.2
72.99305	1.1
73.02953	1.9
83.01385	3.1
85.02946	3.8
87.00870	1.4
88.98801	100.0
89.02448	9.0
89.65794	1.1
101.02422	5.4
107.01337	1.3
108.02182	1.1
109.02964	1.4
113.02422	4.9
119.03487	4.4
119.04967	1.1
121.02932	1.3
133.02904	1.5
135.04524	1.7
137.02440	1.6
151.00366	3.0
153.01945	2.7
159.04465	1.4
161.02438	5.3
163.00328	1.2
163.04010	1.4
178.99957	1.2
179.03450	1.2
179.05611	1.6
181.01430	2.1
182.02243	2.3
183.02965	2.5
189.01939	2.6
198.01587	1.7
209.11810	14.4
217.01434	1.1
227.03502	1.4
227.12842	3.7
234.01555	1.7
235.02640	1.8
243.02945	5.6
253.09149	2.3
255.02905	10.1
271.02457	24.3
272.03290	2.1
285.03986	7.1
299.05392	1.3
300.02716	73.1
301.03445	21.9
311.12894	1.2
315.05130	2.3
316.05734	3.8
331.06561	1.3
345.08145	2.0
361.07751	1.3
433.07687	77.3
434.07935	3.6
450.31979	1.1
452.86667	1.3
461.07404	2.7
463.08823	6.1
463.21539	9.1
523.10815	18.7
523.21680	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01378	2.9
61.98820	1.4
71.01376	2.7
78.95911	2.4
83.01385	6.4
94.06612	1.4
124.01636	1.3
141.01958	3.2
150.03197	3.0
153.01875	1.7
163.03952	2.7
183.02960	1.5
187.04152	1.5
217.28162	1.4
218.46718	1.7
230.83519	1.6
233.04477	4.0
269.70529	1.5
293.13803	2.3
293.21188	4.7
307.15582	1.8
331.15234	3.3
347.14886	3.3
349.16425	1.9
359.14810	2.1
376.15295	1.9
377.16074	3.6
479.90390	1.5
493.20419	1.6
500.66391	1.5
503.19019	1.9
521.20197	100.0
522.20392	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	521.2024
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
61.98817	6.7
66.07673	1.4
71.01402	2.2
71.51415	2.1
78.95899	7.1
83.01399	5.5
128.03542	2.0
141.01912	4.0
142.71935	1.5
143.04613	2.4
150.03218	4.7
152.99576	9.3
154.99974	1.7
175.04018	1.5
178.02643	2.2
197.11855	2.9
203.86478	1.5
229.05048	1.7
233.04482	2.3
306.07605	2.9
307.15479	2.6
347.15121	2.2
349.16632	3.8
377.15796	3.2
401.16718	1.7
435.29315	1.7
490.87949	1.8
493.20648	2.0
503.18997	2.6
521.20264	100.0
522.20532	7.0
532.77783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.40562	0.9
57.03437	2.3
59.01356	1.6
59.60381	1.1
61.98825	2.1
67.09911	1.1
71.01373	1.8
71.52222	1.5
71.52622	1.3
76.81639	0.9
79.36675	1.0
80.38338	1.0
83.01373	7.1
83.04999	0.9
88.98792	1.1
99.49510	1.1
113.02480	1.1
119.10741	1.2
137.02373	1.5
138.03275	1.5
141.01910	3.1
150.03239	2.9
153.01915	2.4
163.04030	1.9
166.02621	1.8
178.02734	1.8
183.02945	1.5
191.03381	1.5
205.05103	1.8
233.04428	3.0
233.28912	1.0
279.79388	1.1
293.13950	2.1
293.21094	2.6
303.15744	1.5
305.13943	1.8
307.15381	2.7
329.14017	1.4
331.15402	3.0
335.14951	1.7
347.15060	1.4
349.16443	4.3
359.15005	1.4
376.14941	2.0
377.15933	2.5
475.19617	1.4
493.20651	1.8
506.74503	1.2
521.20203	100.0
522.20032	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	521.2022
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03446	1.2
58.45815	0.6
59.01374	1.4
61.98817	1.5
65.00336	0.8
71.01377	1.9
71.51603	0.9
75.00859	0.9
78.95899	1.3
83.01376	5.8
85.02951	1.0
87.00872	0.9
88.78417	0.7
97.02945	0.7
99.00902	1.5
101.02350	0.5
111.00841	0.6
123.00870	1.3
124.01676	1.0
137.02449	1.6
138.03212	1.2
141.01926	4.3
150.03191	2.3
153.01917	2.5
163.03963	0.9
164.04706	1.4
165.01947	1.5
166.02670	1.1
170.02185	0.9
177.05585	0.9
178.02715	1.6
183.02937	1.0
191.03577	1.0
201.05513	1.8
203.03378	0.9
205.05107	1.3
207.03017	0.8
219.06641	0.8
233.04607	3.3
245.15430	0.8
247.05978	0.8
261.14957	1.0
273.14743	1.1
285.14197	0.7
289.14417	2.2
293.13962	1.0
301.21390	0.7
303.16122	1.6
305.13821	1.4
307.15466	2.7
315.16031	0.9
317.13605	0.7
331.15491	2.3
333.17017	0.8
335.15149	0.8
343.15759	0.7
347.15033	1.7
349.16562	3.8
359.14990	2.1
371.14935	1.5
373.16388	1.0
376.15479	0.8
377.15872	3.4
401.15509	0.9
437.17566	0.8
443.17191	1.3
475.19531	1.3
493.20752	2.1
503.19180	2.3
504.19971	0.9
521.20239	100.0
522.20496	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	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98819	1.1
71.01375	1.0
71.51593	0.3
71.51980	0.3
83.01412	0.4
85.02938	0.4
87.00893	0.5
89.02450	0.5
96.00934	0.3
96.96030	0.7
101.02445	0.4
101.85698	0.2
107.01353	0.3
107.05041	0.3
109.02930	3.3
113.02445	0.5
117.03432	0.3
123.00851	0.3
123.04510	0.6
123.96635	0.3
124.01148	0.3
125.02436	2.4
126.02792	1.1
128.03532	0.5
132.02205	0.2
133.02948	4.9
134.03758	1.9
135.04520	100.0
136.04831	2.2
137.02423	4.4
149.06055	0.5
153.01973	0.3
153.05563	1.1
157.12241	0.3
159.04501	0.5
161.02435	18.9
162.02806	0.8
165.01973	0.4
165.04219	0.3
167.03409	0.3
169.01413	4.6
170.01726	2.3
175.03970	0.5
177.05583	1.0
179.03496	5.5
183.02975	0.3
189.05463	0.3
191.03519	0.3
197.00993	0.4
197.04562	0.5
203.03513	2.3
209.04382	0.3
221.04535	0.5
223.10782	0.3
239.05640	0.7
239.23065	0.3
241.05078	0.7
255.06712	0.3
269.08066	0.3
270.69998	0.2
291.09711	0.3
305.06723	0.3
313.10928	0.4
320.09149	0.3
323.07709	6.4
341.08810	2.0
344.12531	1.7
359.09857	1.1
359.14822	5.5
383.09607	0.3
458.08188	0.7
458.17844	0.4
477.10333	0.3
483.14557	0.3
503.11951	1.3
521.13007	4.6
522.13159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.7
57.03449	2.1
58.00594	3.4
59.01378	94.8
61.98835	3.5
68.73231	0.9
69.55363	6.6
70.11068	1.1
71.01381	73.1
72.99310	6.5
73.02946	3.3
79.77691	1.0
83.01382	4.5
85.02953	11.9
87.00877	4.6
88.98806	3.9
89.02441	100.0
93.03446	1.5
95.01383	4.4
98.19913	2.2
99.00881	1.5
101.02442	43.5
108.02176	3.7
109.02947	9.0
113.02448	31.1
119.03505	43.3
121.02946	3.5
122.03745	1.8
123.04518	2.9
125.02453	2.3
131.03468	5.3
135.04462	2.6
135.74359	1.1
137.02464	2.3
138.44405	1.0
141.01930	3.5
143.03520	8.7
143.04564	1.4
145.02953	2.4
147.04478	1.0
149.02402	1.6
149.04546	3.8
149.05637	1.1
151.00313	1.7
152.01131	3.5
153.01932	13.1
159.04491	2.5
160.05261	6.8
161.02437	4.9
161.04555	8.7
161.05923	2.3
163.04033	1.4
166.05066	1.4
168.00601	1.2
172.05299	5.6
173.06026	3.6
175.04109	1.3
175.07635	2.3
176.01222	1.2
177.01942	1.3
179.05609	25.1
179.07106	0.9
181.01416	4.0
182.02222	2.1
183.02942	3.9
187.07509	1.3
189.01907	4.8
189.05499	9.4
190.02777	1.8
190.06354	8.6
191.03369	1.2
195.03033	1.1
197.00911	1.5
201.01930	3.5
202.02678	1.6
203.03543	1.2
205.08733	6.5
214.02786	1.3
215.03464	1.7
216.00572	1.1
217.01401	44.9
227.03371	1.8
229.01447	2.6
234.01674	1.9
235.02501	2.8
243.03041	3.1
257.04562	1.2
269.04501	2.0
269.14984	1.2
271.02472	2.7
274.04602	1.0
275.05649	1.7
275.95193	1.1
281.08148	2.3
287.16541	1.2
295.09641	1.6
296.03278	1.1
296.10580	4.5
297.03955	2.3
299.02090	1.1
299.87653	1.1
311.12708	4.8
314.04355	2.9
315.01459	1.8
315.07376	1.8
329.02884	1.0
329.14044	2.6
340.02255	1.6
341.03030	2.7
341.13901	34.8
342.14139	1.9
345.08084	1.9
358.03256	16.9
359.03790	2.6
359.07764	1.5
477.10437	2.5
503.19345	1.4
521.09412	57.9
521.20441	8.2
522.09796	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	521.1298
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
59.01384	1.2
61.98819	1.1
71.01375	1.0
71.51593	0.3
71.51980	0.3
83.01412	0.4
85.02938	0.4
87.00893	0.5
89.02450	0.5
96.00934	0.3
96.96030	0.7
101.02445	0.4
101.85698	0.2
107.01353	0.3
107.05041	0.3
109.02930	3.3
113.02445	0.5
117.03432	0.3
123.00851	0.3
123.04510	0.6
123.96635	0.3
124.01148	0.3
125.02436	2.4
126.02792	1.1
128.03532	0.5
132.02205	0.2
133.02948	4.9
134.03758	1.9
135.04520	100.0
136.04831	2.2
137.02423	4.4
149.06055	0.5
153.01973	0.3
153.05563	1.1
157.12241	0.3
159.04501	0.5
161.02435	18.9
162.02806	0.8
165.01973	0.4
165.04219	0.3
167.03409	0.3
169.01413	4.6
170.01726	2.3
175.03970	0.5
177.05583	1.0
179.03496	5.5
183.02975	0.3
189.05463	0.3
191.03519	0.3
197.00993	0.4
197.04562	0.5
203.03513	2.3
209.04382	0.3
221.04535	0.5
223.10782	0.3
239.05640	0.7
239.23065	0.3
241.05078	0.7
255.06712	0.3
269.08066	0.3
270.69998	0.2
291.09711	0.3
305.06723	0.3
313.10928	0.4
320.09149	0.3
323.07709	6.4
341.08810	2.0
344.12531	1.7
359.09857	1.1
359.14822	5.5
383.09607	0.3
458.08188	0.7
458.17844	0.4
477.10333	0.3
483.14557	0.3
503.11951	1.3
521.13007	4.6
522.13159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01374	0.5
65.00329	1.9
67.01899	0.3
68.99816	0.4
69.03452	0.8
69.19889	2.4
71.01382	1.2
77.03968	0.7
81.03461	1.0
83.01385	4.3
85.02956	1.1
88.98826	0.6
89.03968	1.4
93.03445	0.8
95.01408	0.9
97.02940	1.1
99.00874	1.4
107.05025	0.3
108.02201	0.3
109.02945	5.4
110.00088	0.8
111.00873	3.4
111.04522	0.4
113.02419	0.3
117.03455	1.9
121.02953	1.7
123.00864	0.8
123.04517	0.6
125.02425	0.9
134.03735	21.9
135.00868	1.1
136.98804	3.9
137.02440	8.6
139.00394	2.9
139.04005	1.4
140.01180	0.5
141.01929	3.5
149.02415	0.4
149.06059	1.2
151.00238	0.3
151.03998	0.7
153.01929	45.9
154.02325	0.8
155.03439	0.5
160.01662	0.3
163.04007	0.9
164.98289	0.4
165.01924	7.6
165.05681	0.3
165.99121	1.7
166.02679	1.8
166.99863	1.3
167.03525	1.9
175.03952	0.5
177.01982	0.4
178.02689	1.3
179.03473	0.8
181.01418	65.0
182.02199	59.9
183.02968	59.5
184.03264	1.6
191.03528	0.4
191.09747	0.2
193.01335	0.4
193.05042	11.0
194.02193	0.6
195.02968	1.2
203.03444	0.3
207.02982	3.6
219.03070	0.3
221.04492	0.3
225.04083	1.6
229.51407	0.3
230.15868	0.3
234.01590	0.4
235.02420	0.6
237.04071	0.4
249.04070	1.6
280.52646	0.3
285.06125	0.8
309.06036	0.5
317.53867	0.3
327.07184	100.0
328.07544	3.6
345.08237	48.0
346.08554	1.8
358.06937	0.5
359.07498	0.6
381.09579	0.3
382.10608	0.3
397.07712	0.9
470.99954	0.3
521.12970	9.8
521.19507	0.4
521.33710	0.4
522.13464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
69.03446	0.5
70.52853	0.3
70.53210	0.7
71.01382	1.0
77.03959	0.4
83.01369	1.6
85.02943	0.6
88.98792	0.4
89.03956	0.4
93.03436	0.5
95.01401	0.5
96.71201	0.3
97.02938	1.2
99.00887	1.1
101.02437	0.7
105.64315	0.2
109.02946	1.1
110.00096	0.4
111.00865	2.0
113.02483	0.6
117.03456	0.6
121.02929	1.2
123.00858	0.7
123.04507	0.6
125.02454	0.4
127.04077	0.3
129.01939	0.3
134.03732	5.4
135.04045	0.3
136.98792	0.9
137.02438	3.2
139.00395	1.5
139.01335	0.2
139.04002	1.0
140.01137	0.6
141.01926	2.7
151.03964	1.0
153.01927	9.7
153.03162	0.6
154.02573	0.3
155.03474	0.6
163.04008	0.4
165.01907	5.9
165.99040	1.2
166.02690	0.6
166.99834	1.0
167.03436	0.4
177.01958	0.4
179.03610	0.4
181.01418	13.4
182.02194	72.5
183.02962	70.7
184.03275	1.2
186.01662	0.5
193.05066	2.1
194.02180	0.5
195.02966	2.3
207.03001	0.8
207.05037	0.4
219.03049	0.3
225.04056	1.0
313.15167	0.3
320.55002	0.3
327.07169	15.2
328.07434	0.6
345.08224	100.0
346.08588	3.8
359.27933	0.6
397.07672	0.4
521.12891	2.7
521.19971	0.5
521.33374	2.4
547.06238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98823	3.5
62.13562	0.2
65.00300	0.4
67.01877	0.3
68.99823	0.3
69.03449	1.7
69.84481	1.3
71.01388	1.5
73.02962	0.2
75.00870	0.4
77.03963	1.1
81.03439	0.7
83.01378	3.3
84.00696	0.2
85.02972	0.6
85.26282	0.2
87.00867	0.3
88.98795	0.7
89.02436	0.8
93.03452	0.6
93.71489	0.3
95.01383	0.8
95.05035	0.3
97.02955	1.7
99.00874	2.6
99.04500	0.3
101.02460	0.7
101.59411	0.2
108.02156	0.5
109.02946	1.2
110.00082	1.7
111.00879	3.9
111.04513	0.5
113.02446	0.6
117.03487	0.3
119.90717	0.2
121.02942	2.5
123.00916	0.4
123.04510	0.6
125.02443	0.7
127.04025	0.3
133.02948	0.3
134.03732	3.6
135.04593	0.3
136.98764	0.7
137.02451	7.5
139.00369	3.3
139.03995	1.3
140.01155	1.5
141.01932	4.3
149.06050	0.5
150.03204	0.2
151.03979	1.1
153.00705	0.4
153.01932	6.9
154.02611	0.3
155.03482	0.6
160.01627	1.7
161.02385	0.6
162.86702	0.3
164.01180	0.4
165.01924	9.0
165.99069	3.2
166.02695	0.9
166.99849	2.0
167.03534	0.8
175.04010	2.1
177.01935	0.6
179.03358	0.4
180.03975	0.3
181.01427	10.2
182.02200	100.0
183.02968	87.4
184.03244	1.6
186.01659	0.8
189.04021	0.3
191.17772	0.2
193.05061	2.8
194.02168	0.6
194.72775	0.2
195.02974	2.5
197.04489	0.5
207.02956	0.6
207.05022	0.3
219.02998	0.4
223.13333	0.4
225.04010	0.8
235.06061	0.3
267.05148	0.4
293.08920	0.3
295.07874	0.3
303.07150	1.6
327.07205	3.1
337.37860	0.3
345.08237	22.8
346.08655	0.9
359.09848	0.6
437.10809	0.4
479.12009	0.7
521.12976	77.7
522.13318	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54779	0.5
57.03437	0.6
59.01099	0.6
59.01370	3.1
61.98833	2.7
69.03458	1.5
69.75578	1.3
69.75997	1.7
71.01366	3.2
75.00888	0.6
77.03965	0.7
80.96514	1.1
81.03453	1.1
83.01388	4.8
85.02959	1.1
87.00881	0.6
88.98786	2.5
89.02431	0.6
95.01414	1.0
97.02949	1.6
98.19853	0.5
99.00884	2.8
99.05692	0.5
101.02438	0.6
109.02946	1.5
110.00095	1.4
111.00900	2.9
111.04594	0.5
113.02430	1.0
121.02937	2.5
123.00816	0.7
125.02442	1.2
126.96600	0.5
128.03636	0.8
132.02139	1.0
134.03726	3.3
137.02454	6.5
139.00380	3.5
139.04018	1.7
140.01151	2.6
141.01953	5.1
143.04620	0.7
151.04004	1.5
153.01942	8.3
154.02687	0.7
155.03473	0.8
160.01653	2.4
161.02402	1.3
165.01924	9.7
165.99016	1.6
166.02620	0.6
166.99860	1.2
167.03525	1.3
175.04013	3.9
175.05304	0.5
177.01881	0.8
179.03525	0.8
181.01451	9.4
182.02206	100.0
183.02972	78.0
184.03265	1.9
186.01675	2.2
192.60481	0.6
193.05028	2.8
194.02161	0.9
195.03000	1.9
200.59282	0.6
207.03012	1.0
225.04121	0.9
272.08679	0.6
303.07172	2.6
306.07648	0.7
327.07120	3.3
330.07516	0.7
345.08258	32.5
346.08606	1.5
352.18268	0.7
358.06839	0.9
359.09897	0.7
359.27969	2.7
397.07474	0.8
437.11725	0.6
479.11685	1.2
521.13013	73.6
521.33386	8.6
522.13263	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06391	0.3
54.25031	0.4
60.99304	15.3
70.06612	0.7
70.07009	0.9
88.98801	100.0
89.99123	0.5
91.03523	0.3
118.36559	0.3
207.02917	0.4
227.03458	0.4
234.01712	1.5
235.02536	1.2
284.03290	0.4
285.04019	0.8
358.07132	0.7
359.07724	1.5
397.07761	0.6
431.09769	1.4
521.13025	3.9
521.20062	0.6
522.13428	0.4
524.09576	0.4
545.06525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47690	0.9
51.13937	0.9
51.78503	0.9
55.89867	1.0
59.01381	1.4
65.80105	1.0
71.01359	1.3
86.65508	0.9
89.02446	1.8
93.63027	1.0
95.01384	1.2
103.00382	1.2
108.02168	2.9
109.02987	1.0
111.00862	2.0
123.00874	23.1
134.03708	1.5
135.04492	1.4
137.02481	1.0
139.00377	2.2
141.01904	1.9
145.02983	1.3
151.00375	22.0
152.01105	3.1
153.01944	3.5
161.02428	2.4
163.00432	1.4
163.04008	2.0
165.01987	1.7
166.99821	2.3
175.04019	2.0
181.01450	2.5
182.02173	1.7
183.02963	2.7
188.04887	1.2
190.99831	15.1
191.03415	2.0
192.00659	7.1
193.01402	5.8
203.03413	2.1
206.02089	2.3
217.04964	1.2
218.05861	1.9
231.02916	3.8
232.03690	4.1
233.00829	1.6
234.01680	33.3
235.02455	30.0
245.04552	1.4
247.06088	19.1
253.56773	1.1
256.03717	1.3
259.02426	1.8
259.06152	1.3
260.03226	19.6
273.07687	1.2
274.04861	10.3
275.05609	96.8
276.05859	3.3
300.02710	13.3
301.03375	2.5
315.05112	19.7
316.05408	1.7
317.06711	5.1
345.08295	2.1
358.06870	2.7
359.07700	100.0
360.07870	4.5
397.07751	26.5
398.08051	1.4
437.10910	6.6
521.12970	85.1
522.13379	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	520.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53742	1.9
55.53542	2.2
59.01358	3.7
61.98821	9.2
64.81563	1.9
71.40100	3.3
83.01373	3.1
138.03123	2.0
163.04015	3.0
165.01880	5.5
166.02394	2.6
167.08427	2.3
191.03540	3.4
205.05051	11.2
207.02930	2.9
233.04515	26.1
235.09761	15.4
262.08450	46.6
263.09183	19.0
379.90369	2.4
425.14499	100.0
426.14816	4.6
457.16995	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63143	0.3
56.80355	0.2
62.96382	0.2
63.88931	0.2
66.28352	0.2
69.48707	0.5
69.49113	1.3
73.49813	0.2
78.95898	44.6
96.96954	6.3
98.20625	0.5
102.33403	0.2
108.41589	0.3
120.73775	0.2
125.70210	0.2
128.89034	0.2
150.98036	1.9
152.99574	100.0
153.99911	0.9
164.37592	0.2
171.00623	3.5
279.23364	1.1
299.74594	0.2
307.05374	0.2
321.29062	0.2
433.23560	27.0
434.23773	1.2
459.44620	0.3
480.78439	0.3
520.26727	7.5
521.27173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57842	0.2
61.98828	0.5
62.96402	0.3
71.06144	0.5
78.95899	45.5
88.98815	0.4
96.96964	5.9
96.97591	0.3
150.98050	1.9
152.99573	100.0
153.99922	0.9
171.00632	4.1
171.01964	0.4
179.90723	0.3
279.23328	1.2
295.02585	0.3
411.42786	0.3
433.23547	28.9
434.24197	1.2
520.26794	6.9
521.27368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98829	100.0
69.55084	0.7
69.55497	0.7
93.61494	0.2
104.56169	0.2
161.02689	0.2
349.98837	0.3
411.51703	0.2
474.82870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40786	0.6
59.01369	2.4
69.56128	2.1
69.56538	2.7
71.01396	0.6
72.99316	1.6
75.00871	19.2
79.01898	0.8
82.49222	0.7
83.01392	3.9
89.02447	3.9
91.36966	0.7
98.20608	1.4
105.03444	1.2
108.02169	1.3
109.02948	0.7
110.00050	0.8
121.02935	1.2
127.67900	0.7
135.03000	31.4
135.04028	1.6
136.01649	2.5
137.02469	1.6
138.03204	2.9
139.00334	1.3
149.02444	1.8
152.01189	1.8
153.01920	1.7
164.01170	10.0
165.01877	5.8
166.02693	1.5
166.99850	0.8
167.03484	1.7
178.99857	2.8
179.03464	0.9
181.01445	2.5
182.02190	8.3
183.02951	2.2
192.00635	20.2
193.01378	5.8
194.02208	3.2
195.02992	2.8
207.02882	1.9
208.00130	2.6
209.00835	3.6
210.01677	17.3
211.02509	1.7
220.00114	22.5
221.00891	42.7
222.01617	4.2
223.02452	3.3
235.02426	4.2
238.01031	1.3
249.00294	0.9
251.02023	1.4
263.01865	1.3
264.02655	1.5
266.00781	1.5
267.01498	1.0
310.03336	1.3
371.06183	8.9
371.10223	1.4
373.07745	3.2
383.06168	100.0
384.06448	3.8
385.07825	2.4
397.07709	1.0
399.05646	3.2
401.07242	22.1
427.08798	3.2
429.06610	3.5
436.77173	0.9
452.10480	0.8
457.09891	1.6
473.08920	1.7
475.10959	1.9
501.09109	1.8
519.09937	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	519.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26233	0.4
58.19328	0.5
60.17976	0.5
61.32640	0.5
61.98824	4.2
62.96444	0.5
69.14002	3.0
69.14427	1.9
78.95901	51.4
96.96967	5.7
127.44102	0.4
143.83659	0.5
150.97989	2.1
152.99579	100.0
153.99890	0.6
171.00671	4.3
190.80174	0.4
295.82465	0.5
365.27014	0.6
519.27307	15.9
520.27765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98826	0.8
70.61440	1.3
71.01353	0.7
85.06584	15.2
97.92141	0.4
113.06090	13.5
114.06410	0.5
115.00389	0.7
115.04003	36.1
129.05571	0.8
131.07147	2.4
141.62791	0.5
147.39966	0.5
153.01923	0.7
157.05045	3.5
161.02457	1.5
174.88885	0.7
175.06107	100.0
176.06421	1.6
212.98643	1.6
221.60596	0.5
222.97054	0.5
341.08774	0.8
454.79880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
57.03443	4.3
59.01377	25.0
61.98824	18.3
69.03464	1.7
71.01378	63.3
71.52834	2.4
72.11782	1.4
72.99302	2.2
73.02949	17.7
81.07101	1.8
83.01382	9.0
85.02941	32.6
85.06577	2.0
87.00877	2.7
88.98802	1.7
89.02409	8.5
95.01400	4.9
95.14015	1.5
95.28373	1.6
99.00882	9.6
100.99466	1.4
101.02436	41.9
113.02449	25.2
119.03467	3.5
123.04481	2.1
125.02441	3.1
125.09737	1.6
131.03563	2.0
135.04520	1.9
143.03453	2.3
152.79482	1.3
159.02988	4.4
161.02478	2.9
161.04547	29.5
182.02159	4.1
183.02927	4.7
193.05034	2.0
195.17432	1.8
211.16930	8.2
306.07678	1.5
311.25931	1.5
327.21518	1.6
329.07614	3.3
337.23947	1.9
339.25232	4.6
345.08167	2.4
346.08807	1.8
355.24680	8.9
360.55176	1.6
373.22232	14.7
415.27301	1.6
457.20636	3.1
473.31131	28.9
517.18964	3.2
517.30151	100.0
518.30396	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.5
62.96400	0.3
68.73798	0.2
68.78761	0.2
69.94702	1.2
78.95901	43.5
96.96956	6.1
99.87362	0.3
150.97987	2.0
152.99576	100.0
153.99927	0.6
163.46645	0.2
171.00633	4.0
277.21765	1.0
367.29276	0.3
394.60074	0.3
399.23352	0.3
431.21976	26.2
432.22360	1.3
518.25262	6.4
519.27014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.2
59.01872	1.3
69.03460	8.7
70.42265	1.8
70.42628	2.4
70.48797	1.0
71.01384	13.1
72.99309	6.2
73.02934	2.1
85.02940	1.2
87.00871	29.8
89.02441	2.6
101.91125	1.1
113.02436	11.3
115.00373	49.4
124.63289	1.1
131.08255	3.2
132.08661	1.8
139.04019	1.3
157.05074	12.8
161.02483	1.8
174.08820	1.8
175.02472	100.0
175.06065	12.0
176.02719	1.6
179.71341	1.3
203.03487	1.0
229.43228	1.0
230.17822	1.3
277.11868	1.1
334.63217	1.1
341.08899	1.2
375.35547	1.0
487.58865	1.2
507.99768	1.0
518.36261	1.0
527.46906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93224	0.9
53.71995	1.0
54.44945	0.8
59.01162	0.9
59.01380	10.7
65.70290	0.9
69.95798	4.5
71.01373	12.9
72.99310	2.1
73.02930	1.6
87.00873	32.1
89.02426	1.5
92.47668	1.2
93.89731	0.8
95.61256	1.1
98.20617	1.1
113.02429	2.2
115.00361	42.1
131.08261	1.7
154.34602	1.2
165.05528	1.0
166.27823	1.2
166.57359	1.0
175.02458	100.0
176.02823	2.1
180.74815	1.0
214.57178	1.0
227.68636	1.1
272.66638	1.0
326.49930	1.1
343.11349	2.6
352.65573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
59.01375	2.3
61.98816	3.1
71.53264	1.5
73.23123	1.1
80.44005	1.0
87.00843	1.0
104.22510	0.9
121.02934	2.3
138.03329	1.1
165.01831	1.7
182.02205	5.2
183.02884	5.9
225.05562	14.5
226.06371	8.6
254.05827	49.0
255.06270	2.3
268.07379	2.6
269.08160	100.0
270.08426	4.2
300.17673	1.1
311.09482	1.3
355.25137	1.1
401.08829	1.5
473.14542	5.3
486.14038	1.8
499.18103	6.0
517.23431	1.7
517.30304	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	517.1349
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
50.15023	0.3
59.01381	1.2
61.98815	0.6
71.01390	1.3
71.52191	0.6
73.02966	0.6
85.02939	0.8
89.02447	0.7
89.03955	0.8
90.01702	0.4
101.02420	0.8
101.03137	0.3
105.03457	0.8
107.05062	0.6
109.02913	0.4
113.02408	0.8
117.03477	2.0
121.02976	0.4
132.02182	2.5
133.02950	30.9
134.03740	33.7
135.04517	49.6
136.04834	1.2
137.02446	1.0
139.04031	0.5
147.04488	0.7
148.05244	0.4
149.04932	0.3
149.06049	2.5
160.01648	4.9
161.02428	100.0
162.02805	2.4
174.03203	0.6
175.03993	5.6
176.04668	1.1
177.05557	1.5
178.02699	3.3
179.03484	60.1
180.03827	1.5
191.07039	1.0
193.05032	29.6
194.05415	1.1
202.02684	1.2
203.03532	1.8
217.05014	3.5
221.04459	1.0
235.06012	0.9
251.05563	0.7
281.06543	1.9
323.07678	24.0
324.07922	1.2
337.09317	1.8
341.08734	2.2
355.10059	1.0
517.13440	10.3
517.29749	0.6
518.14020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84428	0.3
59.01379	2.0
61.98827	4.5
62.16960	0.4
63.79789	0.3
64.73100	0.4
66.17294	0.3
69.59804	0.4
71.01379	1.3
71.52418	0.3
72.90314	0.4
73.02955	0.3
82.08507	0.4
82.95401	0.4
83.01367	0.4
85.02908	0.5
87.00905	0.5
89.02470	0.7
93.03455	0.8
101.02450	0.9
106.04240	0.5
109.02974	0.5
121.02946	1.7
122.95689	0.4
127.08056	0.5
133.02953	6.0
134.03735	41.6
135.04593	2.2
137.02426	9.1
139.04015	2.7
149.02457	0.8
149.06071	14.6
150.03227	1.0
150.06389	0.6
161.02438	17.3
162.02786	0.6
163.06172	0.7
165.01959	0.8
177.01851	0.5
178.02699	33.4
179.03401	2.4
182.02234	2.9
183.02946	4.3
193.05040	100.0
194.05354	2.9
203.03401	0.5
205.07220	0.4
221.09695	1.0
236.76851	0.4
311.05719	1.0
323.07697	20.7
324.08066	0.7
345.08212	6.2
370.13361	0.5
517.13586	4.2
517.20886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
50.61274	0.4
58.02985	0.6
59.01372	1.0
61.60648	0.4
61.98818	0.6
69.62502	0.3
70.70783	0.4
71.01402	0.7
71.48328	0.3
71.53189	0.5
74.02475	1.7
85.02938	0.6
86.02468	0.6
87.42779	0.4
89.02441	0.5
89.03960	0.9
91.05552	0.5
96.96003	0.4
99.05642	1.3
101.07258	0.4
102.97009	0.4
104.02661	0.3
105.03479	1.1
107.05024	0.8
113.02427	0.9
113.03519	0.4
117.03454	1.9
119.04993	0.4
123.04470	0.7
128.03523	3.6
132.02165	3.3
133.02950	30.8
134.03748	17.8
135.04517	71.5
136.04857	1.5
137.02394	0.7
143.04619	5.1
145.02936	1.1
149.02376	0.5
149.06065	1.7
153.06685	0.5
160.00697	0.7
160.01721	5.9
161.02429	100.0
162.02724	2.7
164.04854	0.3
165.05562	3.3
167.04683	0.5
174.03242	1.1
175.03993	7.5
176.04706	1.5
177.01917	0.6
177.03395	0.7
177.05563	1.1
178.02715	1.3
179.03476	79.2
180.03844	1.5
183.03026	0.5
191.03552	0.7
191.07121	1.1
193.05034	14.1
202.02736	1.2
203.03442	0.9
207.06689	0.6
210.08788	1.1
217.05054	4.2
218.05539	0.4
221.04518	1.3
235.06084	1.2
251.05600	1.0
254.07819	1.6
255.03206	0.4
272.08917	2.4
281.06686	2.0
288.06723	0.9
305.06357	0.4
306.07599	12.5
306.11035	0.8
306.25052	0.4
307.08337	0.7
323.07690	9.7
324.08154	0.4
337.09195	1.4
341.08673	2.6
355.10202	1.1
499.13818	0.4
517.13434	21.4
518.13818	1.6
518.20660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0984
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01363	0.7
61.98835	1.0
71.01402	0.5
71.41013	0.3
76.57229	0.2
161.02480	0.2
180.05795	0.2
181.06508	1.3
182.03697	0.4
196.05399	0.2
197.06087	1.6
210.03226	1.0
213.05618	0.3
224.04782	0.6
225.05550	18.4
226.05869	0.5
227.03465	0.6
237.05524	0.8
237.61322	0.2
240.04276	6.2
241.05032	3.8
253.05016	0.8
254.05711	0.2
255.06627	0.5
265.05072	1.5
268.03308	0.2
269.04520	100.0
270.04904	4.1
281.04532	0.3
282.05344	0.9
283.06152	0.4
293.04544	1.5
311.05545	1.8
431.09589	1.4
455.09863	0.2
473.10840	59.8
474.11209	4.1
507.36987	0.2
517.30365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86205	1.2
55.32373	1.3
57.58810	1.6
59.01374	6.1
61.98819	3.4
64.64478	1.4
65.00317	5.9
69.56215	8.9
71.01369	3.4
75.00858	3.5
81.03455	3.6
83.01384	8.5
85.02938	3.2
89.02443	3.5
93.25114	1.3
94.45746	1.3
95.01395	2.1
96.95978	2.7
97.02962	3.3
98.19909	3.0
99.00867	4.0
101.02476	2.2
107.05061	1.7
108.02171	1.9
109.02224	2.5
109.02946	35.4
111.00874	10.3
113.02387	1.6
123.00875	26.1
123.04501	4.1
123.06331	1.5
125.02451	11.9
129.01888	1.3
134.03729	3.5
135.00867	2.0
136.98756	3.5
137.02382	7.0
139.00354	14.0
139.04016	4.0
140.01167	8.2
141.01941	49.8
148.01645	4.4
149.02478	1.8
151.00395	13.7
152.01103	4.8
153.01933	29.3
160.01648	4.0
161.39906	1.4
163.04002	7.9
165.01924	18.1
166.02704	4.6
167.03499	17.2
168.04887	5.0
169.01443	3.7
175.04005	4.0
177.05568	30.1
179.03555	2.7
181.05031	7.3
191.03517	21.0
193.05046	5.7
197.00893	8.9
208.03770	53.9
209.04533	90.0
209.11792	1.4
212.03856	2.7
221.04556	2.2
261.03888	1.7
291.28781	1.5
301.07205	5.0
303.07227	38.8
315.01297	1.6
319.05142	1.9
319.08240	14.9
329.08780	3.8
371.09796	100.0
372.10068	4.2
385.43533	1.4
419.02097	1.4
453.45929	1.8
463.12256	3.1
481.13562	83.1
482.13614	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	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.78732	0.1
61.98829	100.0
62.98512	0.2
66.99441	0.1
71.39753	0.1
81.85355	0.1
214.45886	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36036	0.2
59.01368	1.1
61.98827	100.0
63.69662	0.2
69.38342	1.3
71.01389	0.9
85.02953	0.3
89.02438	0.3
93.57907	0.2
101.02466	0.4
125.02470	0.2
128.03552	0.5
143.04665	0.4
175.02585	0.2
182.02164	0.5
183.02966	0.6
198.47676	0.2
254.07994	0.2
306.07663	0.7
327.07315	0.2
345.08197	0.3
429.24686	0.2
456.26846	0.2
516.21112	0.3
516.29175	0.7
517.22571	0.3
517.30621	1.0
536.62323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66897	0.8
59.01377	32.3
61.98817	1.1
71.01379	2.5
85.02971	0.8
88.06775	0.8
88.10222	0.8
95.01387	1.0
98.19955	2.2
101.02419	1.9
112.14468	0.8
113.02448	3.5
136.95157	0.8
161.04501	1.2
195.13843	3.4
211.13521	0.9
223.13290	2.0
275.20227	1.7
293.21207	100.0
294.21585	4.4
307.22690	1.2
317.21289	1.1
330.31268	0.8
335.22156	1.5
351.12344	1.4
540.74799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91119	1.6
78.67123	0.7
83.99603	0.6
98.88568	0.6
103.39884	0.6
112.83364	0.6
118.96365	0.6
122.60339	0.6
163.11285	26.5
164.11661	0.7
175.11307	1.7
176.12044	1.4
177.12837	4.1
190.09944	1.4
208.11023	3.3
221.10364	0.5
281.15308	1.4
282.16156	4.5
283.16986	5.9
293.07358	0.6
293.15356	1.0
294.16052	0.7
339.23264	100.0
340.23627	6.1
351.23279	7.6
432.52341	0.8
501.53278	0.8
512.18329	0.7
515.35309	90.7
516.35590	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	516.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07858	0.7
57.03435	1.4
59.01384	6.4
61.98825	25.1
64.70374	0.7
71.01385	2.5
71.53445	1.1
73.02959	0.6
74.02474	0.9
75.00855	0.8
83.01373	4.4
85.02930	1.5
88.04048	4.3
89.02408	1.1
101.02435	1.4
107.01380	0.8
109.02967	0.8
113.02432	0.8
119.04980	1.2
123.04499	0.7
125.02438	22.7
128.03551	1.1
137.02438	5.9
138.03235	1.3
139.00395	0.7
141.01807	1.1
143.04591	1.0
145.02948	2.9
151.00346	2.1
151.04053	1.2
153.01903	1.8
161.02440	1.3
163.03983	0.9
165.01891	9.3
166.02679	2.4
167.03487	3.2
179.03473	9.2
181.01450	1.7
182.02190	25.7
183.02959	20.9
191.01744	1.3
191.03485	17.6
192.03824	2.3
193.05017	5.6
193.08749	1.3
195.03027	2.1
207.02997	13.3
207.06633	6.0
208.03490	1.0
209.04507	8.7
219.10199	1.8
221.04597	4.0
221.08157	0.9
221.11742	1.2
223.09718	0.8
223.38869	0.8
235.06108	8.7
235.09714	1.8
237.11311	15.8
247.09639	1.0
249.07738	0.9
263.09250	1.5
264.09995	59.1
265.10770	25.9
266.11136	1.4
305.06671	0.8
305.32434	0.8
307.08252	2.6
345.08243	38.6
346.08582	1.5
427.16049	100.0
428.16296	5.7
457.20633	1.1
516.29065	1.2
517.13568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01378	4.3
61.98827	2.6
69.03456	1.8
71.01363	2.5
71.53403	0.6
72.94273	0.4
73.02934	0.6
75.00846	0.8
83.01380	5.8
83.90413	0.5
85.02962	0.9
87.00854	0.6
89.02454	1.1
95.01376	0.6
97.02954	1.4
97.06606	1.1
99.00865	5.4
101.02418	0.9
109.02963	0.9
110.00078	1.1
111.00873	5.0
111.04527	0.6
113.02399	1.1
115.00372	0.6
117.03476	1.0
119.05007	0.7
120.34579	0.6
121.02956	1.6
123.00874	0.9
123.04598	0.5
123.08144	0.8
125.02470	1.1
125.09717	6.3
137.02434	5.9
139.00359	2.7
139.04021	1.6
140.01164	3.1
141.01942	8.8
145.02930	3.0
151.04007	1.1
153.01910	7.3
154.02559	0.8
159.89537	0.5
161.02470	0.5
163.03998	0.8
165.01892	5.5
165.99091	2.5
166.69821	0.4
166.99855	1.3
167.03482	0.8
169.08638	0.6
181.01395	5.9
182.02196	78.1
183.02965	65.6
184.03362	1.6
186.01715	2.0
187.03909	0.6
187.09740	5.5
195.02992	1.1
197.82516	0.5
207.02994	0.7
327.07248	1.5
345.08109	0.6
368.09106	0.5
369.09750	0.5
431.15747	0.9
473.16663	1.7
515.17615	100.0
516.17969	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	515.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39382	0.4
55.45803	0.3
57.30271	0.4
59.01381	4.1
61.98829	4.7
71.01379	2.8
71.52734	0.6
72.99311	0.4
79.17726	0.4
83.01381	0.7
85.02940	1.1
89.02463	1.5
92.74269	0.4
93.03497	0.5
101.02455	1.3
101.67290	0.4
106.19437	0.4
113.02420	2.3
117.03462	30.2
118.03780	0.8
119.05030	20.2
121.02940	1.0
128.03542	0.5
131.05002	0.5
132.05833	0.7
133.06599	3.1
137.09720	1.3
145.02953	100.0
146.03279	2.5
146.90634	0.4
147.04520	0.5
158.03781	0.7
159.04507	5.1
161.04749	0.7
161.06062	7.1
163.04013	22.3
173.06050	0.5
177.05574	2.5
183.02907	0.6
187.03999	67.2
188.04349	1.5
205.05054	12.1
217.05058	1.8
229.05064	0.7
234.14978	0.4
235.06097	0.9
265.07156	1.5
269.04504	0.9
272.08685	0.4
307.08142	2.1
325.09229	9.4
345.07953	0.5
349.38068	0.4
353.23230	0.8
515.22809	13.5
516.23218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
58.00587	2.1
59.01376	34.3
65.31738	0.8
69.68674	4.0
71.01378	28.3
72.99296	1.4
73.02943	14.5
74.79760	0.9
76.18761	0.8
78.09047	0.7
81.03455	1.9
83.01385	1.1
83.05013	5.7
83.81955	0.7
85.02946	5.9
87.00870	3.0
89.02441	32.0
93.03454	38.8
94.03802	1.2
95.01346	0.9
96.96942	1.2
98.19974	0.9
99.00861	6.1
99.04525	5.8
101.01804	1.1
101.02436	13.4
109.02941	1.0
109.23217	0.8
111.00871	0.9
111.04514	14.5
112.98805	6.0
113.02438	9.9
115.00366	1.3
119.03493	11.8
129.01941	3.7
131.03560	1.1
131.08249	2.1
137.02428	12.3
142.99867	5.1
143.03529	6.1
149.04547	1.2
155.03522	8.0
161.04601	4.1
172.06146	1.0
173.00903	2.6
173.04533	75.3
174.04901	1.3
175.02393	2.0
179.04158	1.3
179.05602	16.9
227.43491	0.7
341.10846	100.0
342.11081	3.9
476.34402	0.8
515.15790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94282	0.8
55.01872	1.3
57.03443	1.1
58.00582	2.1
59.01376	22.3
65.03941	1.1
69.33417	0.7
69.33566	2.1
69.33990	5.0
71.01379	18.8
71.05006	1.2
72.99305	2.2
73.02939	19.5
81.03436	2.0
83.05016	7.3
85.02950	6.1
87.00848	1.7
89.02442	26.1
93.03456	52.5
95.01387	1.3
95.49820	0.8
96.02372	1.0
96.96936	1.8
98.20650	1.9
99.00886	7.5
99.04523	6.1
101.02441	9.8
111.04520	20.5
113.02449	7.7
115.00346	1.1
119.03513	9.3
129.01913	2.2
131.03458	1.0
131.08278	4.7
133.01407	2.0
137.02443	16.4
142.99831	1.1
143.03503	5.9
155.03496	10.9
161.04504	3.6
172.89882	1.6
172.96802	1.2
173.04543	100.0
174.04889	1.3
174.08818	1.3
179.05609	12.5
283.91711	0.9
341.10873	80.9
342.11111	3.6
515.15930	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	515.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56750	2.9
59.01368	5.1
60.99310	9.7
61.98824	7.8
64.61608	2.8
83.01434	3.4
83.31819	2.8
88.98803	50.1
106.92638	3.5
145.02893	6.9
163.04063	6.4
165.01862	3.8
167.43423	3.0
182.01932	2.9
191.03523	4.8
205.04990	8.9
233.04552	20.7
235.09691	14.8
262.08423	51.2
263.09238	22.0
299.02014	6.7
321.63348	3.7
324.99213	3.3
352.98755	5.1
425.14532	100.0
426.14984	5.0
515.04163	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67458	2.4
56.61034	2.3
56.92100	2.6
57.52599	2.4
60.99304	15.1
61.04506	2.2
61.98825	6.7
69.77472	12.2
70.82144	2.3
76.43658	2.5
88.98803	100.0
101.84861	3.0
110.31701	2.5
120.36158	2.9
123.87325	2.6
165.01801	3.2
166.05299	2.3
179.21785	2.3
183.03061	2.7
205.05133	3.1
222.54964	2.6
233.04448	9.7
235.09683	6.9
236.52402	2.5
254.05843	3.5
262.08481	18.6
263.09079	6.8
285.02942	2.5
352.98956	5.0
425.14481	36.4
426.13901	3.5
515.03870	3.7
515.19098	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	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29086	2.3
57.68517	2.3
59.01387	2.1
61.98826	2.1
71.52514	2.1
73.96830	1.9
83.01390	2.6
87.00916	1.9
88.98323	2.2
88.98806	8.2
119.41757	1.8
121.37721	1.8
163.04007	8.1
165.01936	4.5
177.05600	2.4
179.03464	2.4
191.03511	4.8
205.05061	12.6
206.09518	2.2
207.02931	4.0
233.04570	22.3
234.08997	2.8
235.09746	14.8
247.05965	2.0
262.08395	43.6
263.09207	21.0
314.79395	1.9
352.98685	5.1
374.04663	2.2
425.14493	100.0
426.14844	6.2
515.04492	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	515.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57758	0.8
53.72849	0.7
53.92432	0.8
57.03446	1.8
58.00577	1.1
59.01378	36.7
64.94077	0.7
65.33122	0.7
71.01378	32.3
71.50900	1.4
72.99297	2.5
73.02943	15.8
74.49246	0.9
75.00854	2.6
81.03459	2.0
83.01361	1.2
83.05030	5.1
85.02955	7.9
87.00870	2.2
89.02438	30.6
90.62819	0.9
93.03457	42.3
94.03765	1.1
95.01373	1.9
96.57800	0.9
96.96021	1.1
96.96975	2.0
98.95556	0.9
99.00884	8.0
99.04532	4.3
101.02435	15.4
104.73174	0.8
109.02908	1.5
111.04523	19.1
112.65812	0.8
112.98793	6.2
113.02448	10.6
115.00390	1.5
119.03503	12.8
129.01976	4.2
131.03481	2.2
137.01485	1.0
137.02451	13.1
142.99863	6.0
143.03528	5.9
145.01399	1.1
147.36249	0.9
149.04507	1.4
155.03484	9.9
161.04585	4.1
172.06129	1.5
172.90016	1.6
173.00885	3.7
173.04539	74.0
174.04807	1.2
175.02386	1.9
179.05576	18.8
205.89638	1.0
314.93188	0.9
323.13474	2.4
341.10867	100.0
342.11185	3.7
515.16022	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	514.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45857	0.7
54.78482	0.7
58.84503	0.6
59.01366	2.3
60.03670	0.6
61.25006	0.6
61.98828	6.8
66.40505	0.7
71.01367	1.4
71.28832	0.9
73.74854	0.7
80.96503	1.6
83.01378	4.3
88.04028	2.8
99.00879	0.8
109.02939	1.8
111.00864	1.6
119.04982	1.0
123.04489	0.8
124.01674	0.8
125.02419	1.3
137.02466	3.4
137.32346	0.7
138.03227	1.5
141.01884	1.1
150.03191	2.3
151.03928	0.7
153.01929	4.2
161.02371	0.8
161.06053	0.7
163.03995	5.3
164.04750	0.9
165.01924	7.4
166.02684	3.0
167.03525	0.8
170.02226	0.9
177.01897	1.1
177.05566	2.0
178.02713	1.6
179.03558	3.3
181.01439	6.1
182.02196	33.6
183.02962	32.3
184.03372	1.2
189.01921	0.8
189.05508	0.9
190.05923	0.9
191.03485	6.4
191.07088	1.1
192.04311	1.0
194.02226	0.8
195.02982	1.6
202.06786	0.7
205.05034	15.2
206.09442	3.1
207.03029	4.2
207.04762	1.0
217.01413	0.7
217.08746	1.4
219.06558	2.4
221.08105	0.8
225.00844	1.1
229.04968	1.1
233.04523	27.6
233.08134	1.6
234.04884	0.9
234.08932	2.4
235.09743	16.5
236.10133	0.7
245.08101	1.4
247.06017	1.0
257.08133	1.4
262.08435	52.0
263.09167	21.3
275.09201	1.1
277.93655	0.9
285.03857	0.8
289.07159	1.2
327.07132	4.1
345.08243	40.3
346.08582	1.9
425.14499	100.0
426.14954	6.4
451.10550	1.8
494.07001	0.8
514.12744	1.2
514.19775	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85976	0.1
56.08809	0.1
61.98827	100.0
69.34698	0.9
74.77480	0.1
89.01112	0.1
91.43757	0.1
98.19891	0.2
101.63867	0.1
103.78555	0.1
159.57004	0.1
229.70953	0.1
270.37534	0.1
379.81311	0.1
453.33533	0.1
454.34137	0.2
514.32501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97204	0.7
55.01856	1.4
57.03456	1.5
58.00595	1.4
59.01380	33.3
71.01382	32.9
71.50993	0.8
72.99306	3.0
73.02943	13.1
75.00873	1.7
78.93809	0.8
78.95911	2.9
81.03464	2.3
83.01385	1.5
83.05022	4.8
85.02951	7.5
87.00883	2.8
88.98813	1.8
89.02443	35.7
93.02866	1.6
93.03455	30.5
95.01373	1.5
96.96008	0.8
96.96968	5.7
97.02924	0.9
99.00876	6.6
99.04520	3.8
101.02441	15.7
102.42432	0.7
109.02915	1.2
111.00907	1.0
111.04519	12.1
112.98812	7.6
113.02450	12.2
115.00372	2.7
119.03500	13.3
122.41060	0.7
124.98790	1.0
129.01917	2.4
131.03519	2.0
131.08247	2.3
137.02440	10.3
142.99863	7.5
143.03514	5.9
145.01428	1.0
149.04585	1.0
155.03485	5.9
161.02438	1.4
161.04536	4.2
172.06128	1.3
172.89951	3.0
173.00978	4.6
173.04541	56.4
174.04897	1.0
175.02524	1.7
179.05608	19.1
191.01880	0.9
193.94197	0.7
302.88766	0.7
323.13379	5.7
341.10870	100.0
342.11237	3.2
356.42346	0.8
391.56274	0.8
443.12134	0.7
491.91690	0.9
515.15869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52241	0.2
58.01498	0.3
61.98829	100.0
71.51337	0.2
83.01389	0.6
109.02953	0.5
113.87632	0.2
125.02482	0.4
137.02533	0.4
139.53394	0.2
145.14580	0.3
151.03961	0.3
153.01918	1.1
154.02290	0.5
193.05095	0.2
197.00903	0.4
245.08209	0.6
263.07938	0.4
289.07187	7.4
290.07486	0.4
426.13980	0.6
451.12305	1.3
543.77808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	8.9
61.51823	4.1
61.98827	39.5
62.10960	4.3
62.60455	4.3
66.03490	4.4
66.92360	4.3
68.99562	5.2
71.01361	12.7
71.53215	6.8
72.99316	6.2
75.00867	39.6
81.22803	4.1
83.01392	10.8
83.63070	4.9
85.02927	5.9
87.00874	6.2
99.00858	18.2
100.04008	6.6
102.05580	19.4
111.00871	28.3
117.01933	7.3
117.03452	25.1
119.05017	10.2
129.01918	21.1
135.03009	51.6
137.02383	5.0
145.02945	63.0
163.03996	8.7
173.00887	6.2
176.14412	18.6
182.11803	7.0
188.14449	7.3
204.13918	4.3
206.15472	7.7
216.13939	7.2
218.15453	18.7
218.19044	5.3
220.13422	11.2
230.15385	5.8
232.13409	9.0
234.14983	47.8
244.16994	12.6
246.15096	8.2
258.14908	9.5
260.12909	14.5
262.14343	4.7
262.18042	17.8
270.14899	7.8
274.14569	4.6
274.18024	8.2
276.19705	5.7
286.18054	5.4
288.16061	6.8
300.19803	6.4
302.17538	12.0
306.16940	21.6
314.17603	9.1
320.18661	35.9
330.21121	5.0
332.15158	5.8
332.18665	19.0
346.16486	12.2
348.17981	5.9
350.16031	11.4
364.21194	13.6
374.19608	7.2
376.17560	14.8
388.17621	7.2
400.17706	4.8
408.19955	8.5
418.18814	11.3
436.19696	100.0
514.17554	32.3
514.29187	30.7
515.22864	41.7
544.66919	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03463	0.2
58.00605	0.2
59.01375	6.6
67.96310	0.1
69.03462	0.1
69.16576	0.5
71.01376	4.7
71.49814	0.0
72.99310	0.3
73.02940	0.9
75.00868	0.1
76.46632	0.1
78.95905	0.1
81.03495	0.1
83.01376	0.5
83.05048	0.2
85.02944	1.1
87.00871	0.7
88.66961	0.1
89.02441	3.5
91.04027	0.2
93.26026	0.0
94.95609	0.1
95.01389	0.5
97.02961	0.2
97.06586	0.1
98.20649	0.1
99.00881	0.3
99.04524	0.1
101.02436	4.5
103.04034	0.1
112.01641	0.1
113.02443	1.9
115.04031	0.1
119.03486	1.0
125.02449	0.2
127.07664	0.2
129.01979	0.1
131.03523	0.2
133.05057	0.4
136.10609	0.1
143.03488	0.4
149.04568	0.1
151.18690	0.1
152.99579	0.1
157.05051	0.2
161.04544	1.7
179.05605	0.6
182.13148	0.1
205.19499	0.1
233.22795	0.4
235.08200	1.1
253.09268	16.7
254.09659	0.4
259.20609	0.4
275.20154	0.3
277.21692	100.0
278.22028	5.2
319.22775	0.1
341.75452	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	38.2
70.66245	14.6
73.40626	4.4
131.36865	4.4
153.01917	14.4
181.01384	6.8
182.02136	7.4
207.00427	4.5
209.11902	5.0
254.05829	69.1
269.08170	38.5
273.12030	5.5
277.21777	7.7
451.10269	100.0
452.10617	8.3
544.71893	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75821	0.4
59.01377	63.0
60.01715	0.4
61.98822	0.5
63.03359	0.4
69.35541	3.0
71.01382	4.5
71.46909	0.4
73.02946	0.5
77.64596	0.4
82.68803	0.4
83.30833	0.4
85.02950	1.6
89.02431	2.5
95.01370	1.5
101.02444	3.7
113.02433	7.2
119.03500	2.5
137.02463	0.7
143.03505	0.6
153.67702	0.4
161.04572	2.1
163.11250	0.4
165.01959	0.6
165.12828	13.6
173.09933	0.5
182.02190	4.9
183.02928	4.6
247.20638	7.1
248.20865	0.6
270.57437	0.4
271.20502	0.5
273.18564	4.2
274.18805	0.4
291.19638	100.0
292.19885	4.2
305.21152	2.5
315.19522	0.6
333.20724	4.9
363.21906	0.9
383.99908	0.4
475.45645	0.4
513.19800	5.4
519.40448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55971	0.0
55.01872	0.3
57.03445	0.1
58.00589	0.2
59.01375	5.8
69.03453	0.1
69.17345	0.4
71.01376	4.4
72.01749	0.0
72.99301	0.2
73.02946	0.9
75.00867	0.0
81.03468	0.1
83.01382	0.5
83.05008	0.2
85.02945	1.2
86.00061	0.0
87.00875	0.6
89.02441	3.6
91.04000	0.2
95.01384	0.3
97.02916	0.2
97.06574	0.0
99.00874	0.3
99.04531	0.1
101.02433	4.3
101.63480	0.0
103.04010	0.1
111.00907	0.0
113.02444	2.0
113.06096	0.1
115.04019	0.1
119.03491	1.0
125.02440	0.2
127.07632	0.2
129.01930	0.0
131.03580	0.2
133.05063	0.3
143.03502	0.4
145.05019	0.1
149.04503	0.1
157.05087	0.2
161.04549	1.7
161.63690	0.0
179.05585	0.5
182.13174	0.0
204.37730	0.0
205.19522	0.1
217.06870	0.0
231.75061	0.0
233.22765	0.3
235.08197	1.2
253.09261	15.6
254.09654	0.4
258.04648	0.0
259.20593	0.4
275.20065	0.3
277.21689	100.0
278.22025	5.2
388.59976	0.0
516.31519	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	512.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81066	0.9
57.03444	3.0
59.01379	1.1
61.98829	20.8
65.00351	1.2
69.29564	0.9
69.37363	8.1
81.03458	1.2
83.01392	3.3
85.11094	1.0
93.03458	1.8
98.19836	2.0
107.01378	3.2
107.05035	1.4
109.02954	1.6
117.03516	1.1
121.02991	1.4
125.02443	49.0
129.05235	0.9
133.02956	1.6
135.04514	1.0
139.04007	1.9
149.02437	3.8
149.05402	0.9
151.00357	15.4
152.01134	2.4
153.01985	4.7
161.02365	1.4
165.01994	1.6
172.05347	1.3
173.06036	2.1
177.05569	1.4
177.62450	0.9
178.99875	10.1
179.03525	3.2
187.64490	1.1
197.06079	1.7
201.05501	1.6
215.07103	3.3
217.14458	1.1
225.05524	2.6
228.48994	1.0
241.05003	1.5
243.06644	2.8
259.06088	52.6
260.06458	3.1
269.04523	45.1
270.05038	2.1
271.02432	1.1
281.85428	1.0
287.05594	26.8
316.02255	2.7
415.18454	1.1
425.25485	3.4
431.09842	1.8
449.10941	100.0
450.11346	6.0
512.28918	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.7
60.99302	12.2
61.98825	19.9
63.99254	1.3
67.77841	1.1
69.36265	8.3
71.01379	7.5
74.17244	1.0
75.81728	1.1
77.22218	1.0
80.96517	1.8
85.02946	2.4
87.00867	1.3
88.00441	1.0
88.98806	100.0
89.02446	16.5
98.20670	2.0
101.02434	4.0
113.02438	3.9
119.03477	2.2
119.04838	1.0
123.04575	1.8
125.02497	1.5
143.03519	1.2
143.04645	1.8
145.03001	2.0
147.33806	1.0
153.01949	2.1
159.39397	1.0
161.02414	1.3
161.04659	1.6
167.03392	2.5
175.02594	1.4
179.05562	1.4
181.01451	2.6
182.02164	4.2
183.02924	5.3
211.07613	1.5
285.04138	1.4
327.07309	2.1
345.08133	3.5
370.18069	1.3
380.69897	1.3
397.02042	1.2
431.09338	1.2
496.65045	2.8
497.15146	2.0
513.18732	3.6
513.27240	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	511.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50296	0.1
55.85014	0.2
59.01376	37.8
63.45147	0.2
69.29770	0.9
69.30194	0.5
76.85141	0.2
81.03453	2.6
83.05025	9.4
98.19807	0.3
107.06176	0.5
108.04542	0.2
118.39853	0.2
125.07194	1.1
126.05644	0.2
143.08255	0.4
160.70743	0.2
188.60365	0.2
207.15091	1.2
224.17657	2.2
225.16068	8.7
226.16467	0.3
242.18744	0.7
250.15508	0.2
270.37857	0.2
307.24335	0.2
324.26486	1.0
333.22925	2.0
337.76279	0.2
351.23972	1.0
367.27121	1.4
394.32941	0.2
433.31750	5.7
434.32156	0.3
451.32855	100.0
452.33212	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	511.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01364	1.6
65.00313	1.1
70.58724	1.0
71.51836	1.3
81.03440	4.3
83.01358	3.5
83.92893	0.9
84.84762	0.9
88.49352	0.9
88.53506	0.9
91.05531	12.1
104.51947	1.0
109.02938	3.0
111.00876	1.7
123.04521	21.2
125.02459	5.3
134.36342	1.0
135.04503	1.6
136.26115	1.2
136.98764	2.7
149.02411	1.1
153.00725	1.3
153.01929	24.1
163.03999	31.7
166.11557	1.0
167.03488	100.0
168.03699	1.7
181.01416	39.4
181.05005	1.1
185.36014	0.9
329.08731	10.2
451.25497	1.1
475.14542	24.1
476.14944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12609	0.4
55.42332	0.5
57.03431	0.5
57.61389	0.4
59.01374	2.9
60.99282	0.6
61.98827	19.8
65.00310	0.7
65.17635	0.5
67.01852	0.5
69.03445	2.3
69.19193	4.7
71.01385	2.7
73.02950	0.5
75.96735	0.5
78.95900	0.5
81.03446	1.0
83.01374	3.2
85.02936	1.3
88.98805	5.8
89.02415	0.9
97.02943	1.0
99.00887	1.1
101.02432	1.3
109.02962	3.6
111.00864	3.0
111.08128	0.5
113.02431	0.6
117.17648	0.4
119.03535	1.1
121.02915	1.7
123.00898	0.7
125.02455	1.2
133.02980	0.8
135.04558	0.7
136.98796	2.5
137.02443	6.2
137.57477	0.5
139.00380	2.3
139.03996	1.6
139.11285	0.8
140.01147	0.5
141.01950	2.5
151.00323	0.6
151.03995	0.8
153.01929	39.5
161.02480	2.3
162.02750	0.5
163.03990	0.8
165.01918	6.2
165.99081	1.3
166.02669	1.8
166.99821	0.6
167.03482	1.4
179.03479	1.6
181.01416	60.8
182.02202	49.8
183.02968	46.4
183.10321	2.3
184.03230	1.1
193.04967	0.6
194.02162	0.8
195.02988	1.0
202.02643	0.6
205.05042	0.6
206.02284	0.7
207.02971	5.0
209.11644	0.6
225.04037	1.5
235.02380	0.9
237.04074	0.6
249.04031	1.4
256.03348	0.8
271.02435	0.9
272.02829	1.0
285.06216	1.0
300.02563	1.1
301.03110	3.7
302.03888	2.1
305.10333	0.7
309.06122	0.8
327.07190	100.0
328.07407	4.0
345.08252	27.8
346.08621	1.5
348.11679	0.8
369.08249	0.7
448.09625	6.6
449.10577	0.6
451.23456	0.5
459.07837	0.5
511.18140	25.5
512.18286	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	511.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03978	0.8
50.07412	0.8
51.14803	1.1
55.01909	0.9
59.01371	1.7
61.98826	3.0
63.14683	0.9
65.00332	1.0
67.59482	0.9
69.20135	2.5
69.20560	5.4
70.31558	0.9
71.01398	1.5
73.02950	1.3
79.01898	4.1
81.03461	1.2
83.01392	3.3
85.02930	1.1
89.02450	1.0
93.03468	0.8
95.05016	2.2
98.19943	1.8
99.00901	0.9
108.02176	1.7
109.02944	49.0
111.00859	1.0
116.92879	3.4
121.02881	1.3
123.00907	1.0
123.04515	3.0
125.02437	4.2
133.02972	1.1
135.04541	1.5
137.02463	5.9
138.03221	22.1
139.00368	0.8
139.04004	2.2
141.01917	0.9
141.38091	0.8
149.02432	3.0
151.00371	7.2
151.04015	2.9
153.01926	4.2
161.02390	2.0
161.34518	0.8
165.01930	4.7
166.02690	10.6
167.03488	76.9
168.03864	2.0
170.02196	10.1
179.03462	1.1
182.02199	10.7
183.02988	8.6
187.18932	0.9
193.01385	1.9
193.05093	1.3
194.02197	36.3
195.02968	63.6
196.03279	2.2
202.02693	0.9
207.03059	1.1
210.01761	1.7
221.00931	2.4
226.01016	1.2
248.03023	0.8
303.04846	1.2
304.05856	37.5
305.06552	15.9
316.02209	1.8
345.08240	18.9
346.08713	1.5
357.08231	100.0
358.08652	3.3
401.07275	16.5
447.62396	0.8
467.11914	49.5
468.12097	3.3
493.09930	1.0
510.59567	1.1
511.10916	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	511.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01373	3.6
61.98827	100.0
62.98539	1.3
65.00342	0.4
71.01395	0.9
71.53483	0.6
78.95963	0.4
81.03459	3.3
83.01373	2.2
85.02959	0.4
89.02446	0.8
90.35554	0.3
107.01401	0.4
109.02983	0.4
117.03491	0.8
119.05022	1.3
123.04517	22.9
124.04813	0.6
125.02442	4.6
126.71182	0.4
128.03542	0.4
133.02943	0.6
135.04523	0.5
143.04630	0.7
145.02946	5.7
149.02440	0.5
151.00371	1.8
153.01939	1.3
161.02457	3.1
161.04633	0.4
163.04001	2.0
165.01881	0.7
167.03484	89.8
168.03836	2.0
175.02458	0.6
177.51314	0.4
179.03468	0.7
181.01410	2.0
182.02226	2.3
183.02995	1.7
185.62448	0.4
191.03490	0.5
206.02202	1.1
207.02966	2.5
229.16254	0.3
240.12128	0.4
253.09412	0.5
264.63492	0.4
267.07458	0.4
268.08151	0.4
271.02332	1.0
272.02786	1.4
283.10800	0.5
285.13043	0.4
289.17978	0.5
300.02701	1.6
301.03082	3.1
302.03827	1.5
305.10074	0.6
306.07651	0.6
307.08170	2.5
311.07712	1.5
327.07178	2.2
345.08197	0.9
348.12347	0.6
349.12854	0.5
349.18765	0.6
434.17188	0.8
435.17532	1.4
448.09625	6.6
475.12399	15.7
476.12677	1.0
478.16397	0.8
479.16446	1.4
510.18335	1.0
511.18527	7.7
512.19336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00309	4.5
77.05562	1.4
80.24431	1.2
80.96509	2.2
81.03481	2.9
83.01391	5.8
91.05509	1.4
109.02978	7.9
111.00868	3.8
123.04499	4.2
125.02445	2.0
135.00829	4.1
135.04503	5.9
136.98810	7.2
137.02386	1.6
153.01929	63.3
154.02228	1.5
163.03989	6.3
167.03484	23.3
179.03465	3.0
180.03735	2.1
181.01422	100.0
182.01753	3.2
225.38617	1.3
225.91647	1.2
263.37741	1.4
294.85681	1.3
298.63815	1.4
329.08755	2.1
335.39172	1.4
335.93457	1.4
475.14575	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	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40571	0.2
59.89862	0.2
61.98828	100.0
69.78188	0.8
69.78618	0.5
98.20668	0.2
151.00435	0.7
161.02522	0.3
178.99825	0.3
227.03546	0.2
243.03075	0.6
255.03044	1.0
271.02466	2.3
300.02780	4.1
301.03470	3.1
348.14548	0.2
412.96387	0.2
437.52289	0.3
447.09308	7.3
448.09619	0.6
510.18793	0.7
511.18689	0.3
521.38269	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.71342	1.0
71.53050	1.5
76.83948	1.0
78.95892	1.6
83.01385	1.7
112.98814	12.4
127.97463	1.1
152.99544	1.8
154.99861	9.0
205.17401	1.2
214.13388	1.2
255.23341	5.7
271.02570	2.3
281.24753	1.8
282.25290	5.9
300.02798	3.9
301.03430	3.1
339.25473	1.6
411.23846	4.1
447.09235	4.0
510.29019	5.0
534.60248	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	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44790	1.2
59.01369	5.4
61.98829	33.7
65.00304	1.3
66.31467	1.1
71.01379	2.6
71.51645	2.2
75.00858	1.6
78.64640	1.1
81.03445	2.3
83.01392	4.0
85.02934	1.5
89.25965	1.2
93.03497	1.3
101.02435	2.0
107.01397	1.6
109.02955	6.9
110.03294	1.5
111.00851	3.3
123.00887	1.4
123.04519	5.5
124.04810	2.3
125.02420	5.3
133.02936	5.2
135.04536	17.6
136.04855	8.4
136.98883	1.5
137.02438	3.5
139.00449	1.9
141.01955	1.4
149.05946	1.2
151.00322	3.8
151.03957	2.3
153.01933	13.0
161.02452	6.7
165.01923	4.0
165.99068	1.2
167.03491	14.8
168.03813	5.2
169.01433	1.5
175.04012	1.6
175.07576	1.4
176.08022	1.7
177.01967	1.5
179.03438	3.1
180.03827	2.2
181.01418	15.6
181.51700	1.2
182.02203	31.1
183.02985	32.3
184.03296	2.4
189.58591	1.2
192.00653	1.5
193.05052	6.5
194.05344	3.4
207.02960	2.6
209.11806	1.2
218.02277	1.2
219.02861	1.6
220.07037	1.4
235.02530	1.8
243.03023	1.5
246.01631	3.4
247.02542	1.4
255.02718	1.7
256.03665	1.7
271.02408	4.5
274.01236	5.4
284.03250	34.6
284.06433	1.7
285.04013	71.2
286.04282	2.2
298.10315	1.7
300.02704	6.9
301.03464	10.3
302.00635	3.7
303.01395	3.2
327.07211	19.8
331.01071	3.6
345.08234	34.0
346.08578	5.3
348.01218	46.3
363.09317	1.2
410.06619	1.3
423.24295	1.4
447.09265	100.0
448.09677	6.0
451.32755	3.1
509.29794	1.9
510.12979	21.5
510.19684	2.0
510.27496	2.0
511.07138	55.1
511.13629	3.1
511.85904	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60594	0.9
59.01381	1.8
61.54932	0.8
61.98828	33.0
63.02420	0.8
70.34299	2.2
70.34634	0.8
80.70850	0.9
83.01381	1.0
97.02860	0.8
98.20566	1.1
107.01376	2.1
111.00851	1.2
119.05042	1.4
119.24648	0.8
121.02960	2.1
122.43220	0.9
125.02465	1.1
133.02979	1.4
135.04504	1.1
135.70369	0.8
137.02437	1.8
141.01936	0.9
145.02945	1.9
151.00362	8.9
159.04474	0.9
161.02428	5.5
163.00391	1.9
165.01967	1.1
178.99918	4.3
182.02203	15.2
183.02847	18.4
184.03117	9.1
185.03404	8.2
186.03766	3.3
199.03955	0.9
227.03497	5.9
229.05042	1.8
235.02124	1.3
236.02209	1.1
237.02742	1.4
243.03004	6.0
245.04541	1.5
255.02965	18.8
256.03418	1.4
271.02448	22.9
272.02927	1.7
283.02585	2.3
284.03253	5.9
285.03976	6.6
300.02731	52.8
301.03500	41.4
302.03915	1.5
306.07446	1.4
343.32828	0.9
345.08197	6.4
346.08588	9.6
347.08719	18.6
347.24298	1.5
348.09070	17.4
399.08224	1.2
400.08307	2.0
429.08206	2.6
447.09222	100.0
448.09833	6.1
510.13037	2.6
510.20563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.4
64.26439	0.3
69.61530	0.9
69.61926	0.5
77.87535	0.3
78.95897	6.8
96.96949	0.4
142.88591	0.3
152.99568	11.5
171.00612	1.0
176.89902	0.3
227.03235	2.2
245.04356	1.2
281.24826	100.0
282.25159	4.2
300.02692	0.9
301.03479	0.5
319.95078	0.3
383.39413	0.3
447.09195	0.7
509.28772	31.1
510.29291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30149	0.8
50.54734	0.8
61.98831	13.2
65.00316	1.0
69.96049	3.2
69.96462	2.0
70.90623	0.9
91.30796	1.0
98.20605	1.0
107.01403	2.9
109.03003	1.3
121.02943	1.1
146.14462	0.9
151.00380	12.0
163.00365	2.7
178.99889	6.3
211.04111	1.6
211.29468	1.0
227.03525	1.3
229.05019	1.1
243.03018	5.7
245.04390	1.9
255.02937	16.5
256.03046	1.1
271.02441	35.4
272.02963	2.3
283.02429	1.3
300.02716	66.3
301.03488	49.2
302.03870	1.3
447.09277	100.0
448.09708	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36255	2.0
56.01551	1.9
57.03434	5.3
60.86946	2.0
61.98817	7.4
65.00305	2.5
68.57510	1.9
69.34546	11.7
69.44091	1.7
83.01399	2.8
93.74044	1.9
98.20690	3.7
103.86600	1.9
107.01355	2.2
119.05012	4.0
121.65797	1.9
125.02448	58.6
145.02979	5.5
146.03348	2.5
149.02391	3.2
151.00320	10.0
151.03966	3.5
152.01147	3.3
153.01915	8.1
163.04012	6.9
175.03986	13.5
177.01978	12.0
178.99872	9.5
181.01456	2.8
189.05585	3.0
199.03937	5.1
203.39438	1.9
213.05486	3.6
217.04976	5.7
241.04962	5.3
243.02945	2.4
255.02998	2.8
259.06161	2.8
271.02475	5.0
275.05576	2.9
281.46500	2.0
285.04028	53.8
300.02676	6.6
301.03473	8.6
303.05072	100.0
304.05316	7.3
308.08255	2.2
410.26898	2.0
447.09372	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.7
61.98828	50.7
69.03455	1.7
71.01379	14.6
71.52620	1.4
73.02955	3.3
75.00862	1.5
81.03445	1.7
83.01406	4.3
85.02950	4.4
87.00851	1.7
89.02435	10.1
95.01411	1.2
97.02985	1.2
99.00867	3.2
101.02435	14.8
113.02457	6.6
113.46665	1.2
117.03494	1.2
119.03487	3.5
119.05020	2.5
121.02971	2.1
123.04528	1.2
125.02453	3.1
128.03490	1.9
133.02954	21.3
133.05023	1.7
134.03758	2.2
135.04535	11.2
136.04909	2.9
137.02444	1.5
141.01822	1.1
145.02962	2.3
150.06822	2.6
151.00383	3.5
153.01907	4.7
154.02248	1.1
160.01668	2.2
161.02434	100.0
161.04602	5.3
162.02725	3.9
164.34389	1.2
164.64862	1.2
167.03412	1.9
175.04042	2.7
177.01964	1.3
178.99854	1.3
179.03477	3.7
179.05717	1.9
181.01447	4.3
182.02260	7.5
183.03050	7.7
183.13892	9.8
184.03076	2.3
185.03549	2.3
193.05077	1.5
195.13911	10.5
211.13374	1.4
213.14944	87.9
214.15300	1.8
225.06383	1.3
247.78329	1.1
253.09277	66.2
254.09703	1.3
255.03075	6.0
257.11795	1.3
271.02377	7.1
300.02759	17.4
301.03555	10.0
302.08069	2.1
327.06949	2.7
328.07480	2.2
329.07684	4.6
333.15561	3.6
345.08282	5.1
346.08804	2.3
347.08560	2.8
347.17084	34.2
433.84238	1.5
434.17203	3.5
447.09268	27.4
449.22675	2.5
478.16095	4.9
509.12341	8.4
509.20288	21.2
509.34412	1.6
510.18826	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	509.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01938	0.7
58.55770	0.9
59.01362	3.3
61.98822	2.0
62.57485	0.9
68.28757	0.7
70.63628	0.7
71.01361	2.4
72.99305	2.2
75.00870	29.0
84.12840	0.8
87.00884	1.2
89.02426	5.2
98.20755	1.5
105.01990	0.9
117.01953	1.2
135.02997	48.9
151.00369	0.9
161.02353	1.0
186.05891	0.8
237.79745	0.8
239.59875	0.8
246.06895	1.5
271.02423	1.5
275.07071	3.5
277.08640	1.0
279.06503	0.8
289.08676	1.5
291.06610	17.2
292.07230	1.5
300.02661	2.7
301.03464	2.0
303.06601	11.1
304.07275	1.5
305.08194	3.1
317.04446	1.4
317.08145	2.2
319.05997	2.4
319.13257	3.1
330.05319	16.2
331.06021	6.7
331.09375	1.0
333.07578	5.7
335.12842	23.3
336.13187	1.0
343.06500	0.9
346.08289	1.7
347.09091	1.1
347.12860	11.6
348.13266	0.9
359.09100	1.0
361.10831	1.9
363.12320	3.5
375.08597	0.5
375.12399	9.8
377.13956	3.4
391.11584	1.8
405.13440	2.5
447.09329	5.8
447.23795	1.4
449.12299	1.9
465.15466	3.7
485.43103	0.9
509.14484	100.0
510.14798	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
61.98814	1.0
67.91308	0.6
69.03460	0.7
69.22876	4.5
69.23278	1.0
81.03445	0.6
83.01389	3.1
87.08714	0.6
87.09737	0.6
95.01367	0.7
97.02962	1.4
99.00867	1.4
102.78369	0.8
109.02943	2.6
111.00876	2.8
119.05029	3.5
121.02953	46.6
122.03313	1.0
123.00935	0.7
123.04518	0.6
123.34201	0.5
136.98814	2.2
137.02452	6.6
139.00386	2.7
139.04008	1.4
141.01895	3.4
151.03967	0.8
153.01924	25.1
163.04031	1.3
165.01949	7.2
165.99130	1.2
166.02660	1.9
166.99799	1.3
167.03418	0.6
181.01419	38.4
181.04984	8.0
182.02193	88.9
183.02965	100.0
184.03325	2.9
195.02921	2.8
207.02974	2.6
219.03078	0.8
225.04091	1.3
238.37117	0.6
252.81664	0.7
255.02734	0.6
278.63824	0.7
284.03082	0.6
284.13327	0.6
285.06342	0.6
327.07184	52.4
328.07574	2.3
345.08228	93.4
346.08606	4.8
387.09256	26.6
388.09567	1.5
447.09488	1.5
491.11890	2.5
498.70380	0.7
509.13208	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	508.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.6
66.62398	0.6
69.67590	1.5
69.67978	1.2
71.01388	1.2
72.00904	9.5
85.02974	1.4
89.02435	1.2
101.02461	1.4
103.05518	1.3
111.00827	1.5
113.02435	2.9
117.03458	2.3
119.05022	8.1
121.02952	100.0
122.03282	1.9
134.98741	0.6
145.01814	0.5
145.02936	13.3
145.03998	1.1
147.04512	29.9
156.28575	0.7
159.04457	0.7
161.04637	1.2
161.06093	1.9
163.04021	6.4
164.07156	60.8
165.07518	1.8
181.05060	49.2
182.05370	1.0
183.02763	0.9
187.04005	2.2
191.02040	1.0
191.07158	0.7
205.05023	2.4
212.32613	0.7
223.06081	5.3
232.74773	0.7
235.06105	5.9
253.07256	1.4
265.07062	7.2
283.08292	1.8
305.06512	0.8
325.09201	4.0
341.16772	0.6
343.10794	1.0
343.61523	0.7
508.13373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50964	1.1
59.01373	1.2
59.20274	0.9
61.51051	0.9
61.54434	1.0
61.75362	0.9
69.07024	0.9
69.23700	9.2
71.01380	2.0
75.00827	1.0
83.01389	4.4
85.02950	1.1
93.03445	4.0
97.02913	1.3
98.19842	2.3
99.00871	3.7
101.02404	1.6
105.33576	1.0
109.02892	1.4
109.31534	1.3
111.00879	3.7
113.02418	1.4
114.35961	1.2
115.38464	0.9
119.05042	8.5
122.85235	1.2
125.02487	1.5
133.06618	1.8
137.02434	4.4
139.00352	2.5
140.01221	1.2
141.01941	15.1
151.03928	1.0
152.04799	1.3
153.01923	17.9
157.06577	3.7
160.05318	1.3
161.06061	1.9
163.03966	1.9
165.01875	7.3
167.03476	18.2
171.04466	1.1
181.01419	20.3
181.05000	2.8
182.02211	33.4
183.02971	29.3
184.03522	1.4
195.02972	14.1
196.03802	7.7
199.07579	2.1
208.03752	8.2
209.04485	7.3
209.60143	1.4
217.08713	1.0
219.06709	1.1
231.06532	3.2
241.05034	1.2
241.08752	1.7
243.02986	2.5
243.06619	1.7
245.04546	2.2
259.06110	44.4
260.06580	1.8
273.07663	1.8
285.07550	2.3
286.04999	1.5
287.05609	18.5
288.05765	1.5
302.07959	59.0
303.08551	5.2
345.08362	15.8
346.06854	14.9
347.07672	6.7
371.09802	10.1
467.12021	1.5
509.12991	100.0
510.13348	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
59.01377	10.7
61.98824	0.7
69.03441	0.3
69.26572	1.9
71.01379	3.8
73.02944	1.3
83.01387	0.8
85.02950	1.0
87.00871	0.7
89.02434	2.3
95.01372	0.3
97.02972	0.3
97.83422	0.3
99.00900	0.4
101.02443	3.5
106.22072	0.3
109.02918	0.7
113.02465	1.9
119.03493	1.0
125.02421	0.6
133.02948	0.8
135.04523	2.0
137.02449	0.8
139.04105	0.3
141.01918	0.6
143.03438	0.4
145.02919	0.5
151.04121	0.3
153.01913	1.3
155.72614	0.3
161.02457	2.2
161.04512	1.5
165.01981	0.8
167.10751	0.4
179.03444	1.1
181.01395	2.0
182.02208	8.4
183.02983	8.0
183.13905	6.1
193.05070	0.3
193.12317	2.3
211.13388	100.0
211.43118	0.3
212.13712	3.1
234.01654	1.0
234.08138	0.3
235.02466	0.5
235.08276	0.9
253.09267	13.0
315.18085	0.8
327.07208	1.8
345.08243	10.3
346.08746	0.6
397.07761	1.2
433.68945	0.3
447.22369	8.6
448.22867	0.5
507.11612	3.7
507.22153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66287	2.3
59.01117	2.5
59.01381	32.3
59.94357	2.1
61.98838	11.4
69.66425	14.4
71.01387	22.5
73.02939	8.9
75.85509	2.5
83.01391	5.5
84.13921	2.3
85.02951	5.2
88.98794	7.5
89.02441	29.3
99.00866	13.2
101.02451	19.3
111.00833	3.8
113.02411	7.7
117.01937	2.5
119.03452	3.0
128.03503	2.4
131.03467	2.7
133.02940	4.3
134.03697	3.4
135.04504	9.5
136.07684	4.0
137.02434	7.4
139.00362	2.9
141.01927	5.6
143.04523	2.9
145.02917	7.9
149.04567	14.8
153.01915	9.9
155.10754	5.2
161.02475	12.9
161.04633	2.6
165.01936	6.0
179.03416	6.6
181.01401	14.7
182.02194	89.3
183.02966	79.5
183.13835	4.4
184.03291	7.0
191.05582	2.9
195.02936	2.9
199.09737	6.4
209.11801	5.2
211.13367	74.6
234.01640	9.5
235.02411	9.9
253.09215	9.6
281.09818	4.9
306.07584	4.7
327.07196	9.2
344.01627	3.2
345.08252	100.0
346.08487	6.9
397.07748	7.4
444.15833	11.2
447.22321	30.3
507.11545	23.0
507.18298	5.4
507.34967	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
61.98820	2.6
64.50716	1.7
65.73579	1.8
71.53288	1.8
78.85706	1.3
78.95933	1.8
80.91676	2.7
83.01398	2.5
87.28474	1.4
88.79728	1.4
109.48899	1.6
137.02472	2.5
163.04036	6.2
165.01927	4.3
166.02731	1.9
177.05603	1.5
178.02646	1.8
179.03490	2.3
182.02228	8.2
183.02954	6.5
189.66998	1.2
191.03427	2.5
194.02042	1.5
205.05038	10.4
206.09428	3.4
207.03035	2.5
233.04536	26.9
233.08138	2.3
234.08907	2.0
235.09714	18.7
261.07758	1.5
262.08429	44.0
263.09186	23.3
267.06821	1.9
280.59238	1.5
309.20740	1.6
345.08237	11.1
425.14462	100.0
426.14792	5.8
447.11835	1.8
508.26862	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	4.4
59.01378	4.7
61.98829	15.2
62.13494	1.4
68.05045	2.1
70.61897	3.7
71.01361	4.8
74.02470	22.3
82.02991	2.7
86.02486	7.3
87.00873	2.0
87.05630	4.5
88.98833	2.7
89.02452	2.3
96.95998	6.5
96.96989	1.9
99.05636	17.3
101.02432	2.1
101.07178	1.9
109.02939	5.1
112.04047	3.0
120.01315	2.7
121.02972	3.3
123.00883	5.1
125.02447	3.0
125.03563	2.1
127.05141	4.2
128.03535	56.2
131.04767	1.7
133.02913	2.8
135.04539	3.0
135.05637	6.3
137.02452	3.1
138.05580	1.4
139.00403	2.0
141.01956	5.4
141.06709	4.3
143.04613	76.4
145.02969	3.2
145.06183	4.0
146.04601	9.4
150.05562	1.9
151.00360	11.5
153.01900	6.0
153.06667	3.8
155.08284	1.8
160.00693	14.5
161.02420	5.3
163.03970	1.6
165.01866	3.0
166.09880	2.9
167.04594	5.2
167.08194	2.0
170.03375	1.9
177.01907	8.3
177.03387	8.6
179.04669	18.5
181.01448	10.1
181.06213	2.1
182.02187	15.5
183.02962	28.1
184.10994	1.8
184.40932	1.5
185.05687	3.6
192.07773	2.7
197.05659	2.7
203.03529	11.3
210.08823	16.8
218.08655	2.1
228.07350	2.0
228.10179	3.2
234.01689	5.6
242.07996	1.5
253.09947	1.8
254.07802	19.6
257.83539	1.4
260.03162	4.9
261.03998	4.8
271.10797	8.7
272.08875	33.9
288.06607	9.2
289.06992	3.2
303.07047	2.8
306.07635	100.0
307.07880	3.9
343.25641	1.5
345.08365	17.1
397.07800	2.9
397.85501	1.6
423.09216	10.8
429.18048	57.7
430.18365	2.4
463.17065	12.0
464.95184	1.5
507.14059	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	507.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.12932	0.7
69.76708	2.7
69.77124	1.4
81.03452	0.9
83.01374	1.3
83.58000	0.7
85.02944	0.7
92.03993	0.7
93.03458	0.7
98.20676	0.8
99.00869	1.6
105.03459	1.4
109.02971	3.9
111.00871	1.6
121.02943	1.2
123.00882	1.9
123.04502	1.7
125.02386	0.8
133.02946	5.7
136.98770	1.5
137.02458	5.1
139.00378	1.0
139.04005	1.2
141.01971	2.5
151.00374	3.6
151.03954	0.9
152.00990	0.9
153.01920	24.6
165.01920	6.6
166.56161	0.6
166.99797	0.9
167.03490	11.9
177.01920	3.6
181.01414	70.9
182.02196	45.9
183.02968	100.0
184.03322	1.6
195.02983	3.0
203.03552	1.0
206.02177	1.2
207.02911	2.2
224.03117	1.0
225.04062	1.5
233.53996	0.7
234.01662	0.9
249.77455	0.9
260.03253	1.9
261.04031	1.2
327.07156	5.1
329.08896	1.2
344.07367	7.8
345.08243	60.1
346.08667	1.9
369.08118	1.8
387.09103	1.5
423.09341	4.9
507.13513	95.4
508.13733	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	507.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
69.03450	1.6
69.24736	3.7
71.01377	2.5
76.35363	0.4
77.03974	0.6
83.01385	3.2
83.01812	0.5
85.02953	1.5
89.02445	0.8
93.03458	0.8
95.01394	0.7
97.02969	0.9
99.00900	2.5
101.02440	0.8
109.02932	0.9
110.00072	0.5
111.00887	4.4
111.04517	0.6
114.64651	0.4
121.02974	2.3
125.02412	1.4
127.03938	0.4
135.04510	1.2
137.02437	8.1
137.42549	0.5
139.00363	2.7
139.03989	1.3
140.01176	1.3
141.01936	5.5
142.21945	0.4
151.00333	0.9
151.04002	1.0
153.01920	5.9
154.02652	0.5
155.03500	0.5
165.01930	8.1
165.99095	2.3
166.02643	0.7
166.99852	1.5
169.01453	0.6
179.03474	1.0
181.01434	6.7
182.02206	73.6
183.02975	94.3
184.03282	1.6
186.01712	1.0
193.05016	0.6
194.02170	0.7
195.02937	1.2
231.02867	0.5
234.01701	1.3
235.02391	1.3
327.07211	1.5
344.01392	0.5
345.08203	1.0
369.09961	0.6
397.07648	1.1
407.76035	0.4
423.11609	0.7
450.21118	0.5
507.13495	100.0
508.13754	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	507.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
67.54778	0.4
68.29144	0.4
69.03445	1.7
69.36036	2.1
69.36451	1.5
71.01382	1.4
77.03959	0.8
81.03439	0.7
83.01374	2.7
85.02953	1.2
95.01382	0.7
97.02959	1.8
99.00881	2.1
99.04563	0.5
101.02415	0.7
109.02956	0.8
110.00102	1.2
111.00893	4.1
111.04537	0.7
113.02465	1.4
121.02972	1.4
123.04491	0.5
127.03953	0.5
137.02443	5.1
139.00389	2.5
139.04005	1.3
140.01161	1.4
141.01923	4.7
151.04037	0.9
153.01938	5.5
155.03503	0.5
165.01924	8.1
165.99074	3.6
166.02600	0.7
166.99872	1.2
167.03539	0.5
177.01927	0.6
181.01421	7.1
182.02203	97.0
183.02971	78.3
184.03331	1.9
194.02249	1.0
195.02985	3.5
207.02928	0.7
225.03998	0.7
237.03920	0.6
315.87714	0.5
374.81357	0.6
465.12527	1.4
489.12564	0.7
507.13519	100.0
508.13916	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	507.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46807	0.4
54.72411	0.4
57.03432	0.4
57.09153	0.4
58.12143	0.5
59.01368	1.7
61.98829	0.6
69.03455	1.0
69.40080	3.1
71.01373	1.3
77.03957	0.9
81.03463	0.7
83.01377	3.1
85.02941	1.2
89.02450	0.9
93.03483	0.8
95.01398	0.6
97.02947	1.7
99.00871	1.7
99.04525	0.6
100.27603	0.4
101.02449	0.6
105.84854	0.4
109.02939	1.2
110.00111	1.2
111.00888	4.1
111.04519	0.8
113.02456	1.2
116.05845	0.4
120.01230	0.4
121.02959	2.4
123.00871	1.1
123.04532	0.8
125.02488	1.0
135.04536	0.7
136.98712	0.4
137.02449	6.8
139.00357	2.6
139.03989	1.6
140.01169	1.1
141.01929	4.1
151.00374	2.2
151.04012	1.3
153.01923	5.3
155.03528	0.6
165.01909	7.3
165.99075	3.1
166.02618	0.8
166.99834	0.8
167.03450	0.6
169.01376	1.0
177.01898	0.8
178.49954	0.4
179.03415	0.6
181.01407	6.9
182.02202	96.9
183.02971	66.1
184.03328	1.3
186.01651	0.6
190.99933	0.7
193.01521	0.5
194.02203	1.1
194.03917	0.4
195.03004	3.6
203.03435	1.0
207.02995	0.5
234.01741	3.0
235.02446	1.9
327.07074	0.6
369.10168	0.5
397.07819	2.2
423.10104	1.1
444.29202	0.5
507.13510	100.0
508.13861	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	507.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.2
61.98835	0.4
71.01374	2.2
71.22204	0.9
72.99306	3.1
73.62093	0.4
75.00870	44.1
78.14741	0.4
78.95909	0.6
87.00881	1.0
89.02442	7.2
99.00904	0.7
105.01956	0.8
117.01936	2.6
135.02991	100.0
136.03333	1.1
145.02885	0.4
148.87535	0.5
175.36581	0.4
182.02266	0.4
183.03027	0.7
275.07120	3.3
288.07544	0.4
289.08768	0.5
301.12161	0.5
303.06580	6.8
304.11084	2.1
315.06619	16.2
316.06998	0.9
317.08429	0.5
317.11899	1.0
320.10458	0.5
329.04581	1.1
329.07965	1.0
331.06104	0.9
332.10623	0.7
333.07516	0.7
333.11316	12.5
343.05994	1.2
343.09549	0.8
345.07803	2.0
345.11316	23.7
346.11682	1.4
347.09216	1.6
348.09885	0.6
354.86395	0.5
357.11447	0.5
359.09232	4.4
359.12970	0.6
361.10901	4.2
371.09253	1.3
373.10748	11.5
373.14215	0.5
374.10873	0.8
375.12320	2.8
376.12854	0.4
389.10297	6.1
390.10410	0.6
391.11673	0.4
403.12015	1.9
435.14526	1.2
447.10873	1.3
463.14072	4.2
479.13477	1.4
507.12906	62.5
508.13406	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.14213	0.5
61.98821	0.9
67.07644	0.6
69.03467	1.1
69.47784	0.5
69.68250	2.9
71.01383	1.1
78.88073	0.6
81.03463	0.5
83.01385	1.9
89.02443	0.8
93.03455	0.7
95.01423	0.5
96.96012	0.6
97.02944	1.7
99.00887	1.3
101.02456	0.8
109.02967	3.1
111.00859	2.5
117.05141	0.5
121.02991	0.7
123.00891	1.5
123.04513	0.7
125.02439	1.4
127.03984	0.8
128.96770	0.6
135.00887	0.6
135.04469	0.8
136.98868	1.3
137.02438	4.6
139.00369	2.0
139.04010	1.0
140.01135	4.2
141.01942	6.6
151.00365	3.0
151.04010	1.2
153.01929	19.3
155.03488	1.0
161.02414	0.7
163.03940	0.6
165.01907	8.6
165.04109	0.5
165.99063	0.9
166.99863	0.9
169.01505	0.8
177.01929	1.5
179.03471	1.5
180.99788	0.7
181.01418	24.2
182.02203	64.5
183.02968	100.0
184.03290	2.2
195.02980	3.0
203.03430	0.7
207.02969	1.9
260.03241	1.1
261.04080	1.0
303.07153	1.3
305.06702	0.5
344.07285	0.5
345.08243	42.9
346.08704	1.4
352.24167	0.5
387.09735	0.6
423.09381	2.2
507.13522	89.9
508.14053	5.4
508.21436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13332	1.6
54.52881	1.5
59.01379	3.4
69.76895	5.7
69.77311	3.0
95.01374	2.5
96.96021	3.4
109.02975	8.6
111.00836	2.8
118.71195	1.5
121.02956	76.5
123.00883	19.5
125.02429	1.8
128.03462	1.8
135.04616	2.2
137.02490	1.9
139.04034	3.8
140.01126	2.3
141.01874	7.9
150.99196	3.0
151.00354	31.9
152.01059	2.8
153.01913	5.6
161.02441	8.7
165.01924	100.0
165.04097	5.9
166.02217	1.7
167.03488	2.0
175.86043	1.6
179.03447	3.7
181.01471	7.5
182.02249	9.0
183.02982	12.9
190.99802	2.0
195.02864	3.4
196.03714	13.0
203.03503	32.7
207.02924	3.6
224.03249	10.1
225.03986	4.2
234.01688	12.7
235.02440	4.0
254.04153	2.1
260.03244	15.0
261.04028	12.7
276.09921	2.0
303.07098	6.5
345.08282	7.8
386.43585	1.8
387.09265	17.9
397.07620	6.5
405.09476	1.5
405.14090	8.4
417.10324	3.2
423.09314	45.1
424.09399	2.7
507.13287	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01371	3.1
59.08665	0.5
59.53624	0.4
61.98827	2.6
65.00323	1.0
69.03452	1.2
71.01375	3.1
73.02953	0.7
77.03974	0.8
81.03458	3.4
83.01384	7.5
85.02947	1.9
88.98817	0.7
89.02445	1.1
91.05554	1.0
93.03461	1.9
95.01385	2.0
95.04990	0.8
97.02961	1.7
99.00884	3.1
101.02441	1.2
105.03518	0.5
107.05036	3.0
108.02133	0.6
109.02944	6.5
111.00869	3.5
111.04556	0.7
113.02492	0.6
116.19659	0.4
117.03489	0.9
119.05046	1.4
119.92884	0.4
121.02935	1.8
123.00873	1.5
123.04527	4.8
124.01668	0.6
124.04837	1.3
125.02420	2.2
131.03413	0.6
132.02209	0.7
133.02943	5.1
134.03720	3.8
135.04517	93.9
135.39235	0.4
136.04871	1.9
136.98819	2.6
137.02443	8.1
138.03238	0.5
139.00377	3.5
139.03993	1.5
140.01144	0.8
141.01927	5.7
145.02943	2.6
149.02406	1.0
149.06180	0.6
150.03200	0.4
151.00352	1.4
151.04002	1.3
153.01924	43.2
153.05522	3.9
154.02321	1.0
155.03531	0.6
161.02443	4.2
161.04584	0.7
163.03958	2.2
165.01918	6.8
165.05550	0.4
165.99037	0.6
166.02652	1.6
166.99837	1.2
167.02167	0.9
167.03494	13.1
168.03825	4.0
169.04024	2.2
174.01768	0.5
175.03966	0.9
177.01924	1.3
177.05534	0.6
179.03484	55.3
180.03831	1.4
181.01414	62.2
182.02191	67.8
183.02966	74.0
184.03337	1.6
186.01749	0.4
187.03943	0.4
190.99852	0.5
191.03424	1.4
193.01340	0.6
194.02185	0.8
195.02962	2.1
200.80089	0.4
203.03442	2.2
205.23921	0.4
205.60104	0.4
206.02205	1.2
207.02992	4.3
209.04529	1.0
209.11920	0.6
211.13400	3.0
219.02994	3.8
221.04565	0.9
225.04092	1.0
226.56482	0.5
227.07181	1.0
229.05029	0.8
231.02850	0.5
234.01639	3.6
235.02487	1.7
237.03915	0.6
249.04002	1.8
250.80646	0.4
251.05600	2.1
253.08983	0.5
260.03186	0.7
261.03876	0.6
267.26758	0.5
269.08218	0.6
271.06100	5.0
285.06174	1.7
303.07083	0.7
309.06171	0.7
313.07166	8.1
327.07175	100.0
328.07489	3.7
329.08856	0.7
345.08194	37.5
346.08661	1.3
356.00754	0.4
369.09552	1.9
394.00101	0.4
397.07663	4.0
413.10764	1.4
423.09384	2.0
447.22385	1.9
465.10269	1.8
489.97876	0.4
507.11301	66.7
508.11560	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	507.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94358	0.3
59.01377	1.5
61.98822	0.4
65.00302	1.6
66.95118	0.3
67.15913	0.3
68.99835	0.4
69.03458	1.1
71.01378	2.2
71.52625	0.4
72.66346	0.3
73.02974	0.4
73.21812	0.3
77.03954	0.6
81.03436	1.5
83.01378	6.1
85.02952	1.3
87.00907	0.3
89.02448	0.5
91.05532	0.6
93.03443	1.3
95.01397	0.9
95.05014	0.5
97.02933	1.8
99.00868	2.9
101.02427	0.6
106.04247	0.4
107.05016	3.0
108.02180	0.6
109.02952	5.2
110.00079	0.5
111.00883	3.9
111.04486	0.5
113.02451	1.0
117.03457	2.0
119.05022	9.4
121.02956	2.0
123.00872	1.7
123.04491	0.9
124.01627	0.5
125.02435	1.4
133.02962	6.4
134.03740	3.2
135.04517	95.1
136.04871	1.9
136.98802	3.2
137.02435	7.8
139.00352	3.1
139.03989	1.1
140.01143	1.5
141.01939	4.8
145.02948	11.7
149.02444	0.5
149.06042	0.4
150.03236	0.3
151.00383	0.5
151.04024	1.2
153.01923	42.5
153.05508	3.9
154.02252	0.8
155.03485	0.6
161.02444	5.2
163.04002	12.8
164.01172	0.4
165.01920	7.4
165.99092	1.4
166.02754	1.7
166.99800	0.4
167.03453	1.8
175.04002	0.7
177.01895	0.9
177.05539	0.7
179.03485	54.3
180.03862	1.2
181.01413	62.0
182.02196	68.2
183.02965	70.4
184.03305	1.8
186.01675	0.7
187.04015	0.8
190.99910	0.3
191.03535	0.6
193.01434	0.6
193.05032	0.6
194.02147	0.5
195.02873	1.9
201.41542	0.3
203.03479	1.5
206.02144	1.1
207.02985	5.7
209.04510	0.6
211.13354	1.2
221.04549	0.9
225.04047	1.4
231.02823	0.5
234.01735	0.5
235.02463	0.5
237.03943	0.4
240.24800	0.3
249.03883	1.8
281.06659	0.3
285.06195	1.2
291.05127	0.4
307.04846	0.6
307.08209	8.4
309.06250	0.7
313.07135	0.8
323.07663	1.0
327.07178	100.0
328.07559	4.1
345.08240	39.0
346.08539	1.5
354.98886	0.3
397.07660	1.1
423.09344	1.3
463.12393	0.5
465.10513	1.8
471.12585	1.4
497.18427	0.4
507.11386	66.7
508.11731	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84983	0.5
59.01367	0.5
59.09236	0.4
60.83289	0.4
65.00339	0.5
70.22544	1.5
72.86961	0.4
79.03182	0.4
82.17920	0.5
83.01360	2.3
91.01910	0.8
97.92278	0.5
102.01501	0.4
107.01375	0.9
108.02115	0.6
109.02948	9.1
112.01078	0.4
125.02470	1.2
134.03728	0.9
135.00858	1.6
135.04532	0.7
137.02467	0.5
149.02434	0.7
149.19632	0.5
150.03212	10.5
151.00342	4.4
153.01897	1.3
160.01614	1.0
163.00349	0.9
163.03987	2.2
165.01913	1.6
168.00673	0.6
169.01465	2.1
175.04010	0.9
177.01970	1.0
178.02713	4.7
179.03496	2.2
181.01398	1.6
182.02217	1.6
183.02960	2.5
189.01959	0.7
190.99834	2.5
191.03505	1.5
192.00592	2.0
193.01465	2.5
205.01393	1.6
206.02184	9.8
207.03000	3.8
207.04742	0.8
217.01501	0.8
218.99324	7.6
219.02647	0.5
225.58710	0.5
233.00848	4.2
234.01668	100.0
235.02441	77.2
236.02797	2.6
247.02531	0.6
258.85608	0.4
295.04437	0.6
300.06094	0.5
331.06662	0.7
345.05844	9.9
346.06003	0.5
397.07712	89.0
398.08005	5.7
507.11389	67.5
508.11911	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
57.20029	0.6
59.01367	2.5
61.98821	1.0
63.02392	4.4
63.20619	0.8
65.00322	6.7
69.72443	1.3
69.72851	3.3
70.38084	0.6
71.01374	1.5
74.51606	0.6
81.41807	0.6
82.50726	0.6
83.01381	7.0
87.80087	0.7
92.26983	0.6
93.03474	1.2
97.02937	0.9
101.02426	0.7
107.01389	12.6
109.02924	1.5
111.00860	1.4
117.03485	1.5
121.02972	0.9
123.00829	1.7
123.04494	0.7
124.01637	3.3
125.02429	11.2
127.96252	0.6
132.02162	2.8
133.02975	1.4
134.03734	10.3
135.04482	1.4
137.02437	1.5
141.01930	0.7
149.02299	0.7
149.06065	1.4
149.99606	1.1
151.00363	65.5
152.00748	1.8
153.01880	1.2
160.01657	12.1
161.02409	2.1
163.04060	0.8
165.01961	3.6
167.03488	1.0
168.00583	4.9
169.01414	29.5
170.01768	0.9
175.00452	1.0
175.03998	9.6
181.01404	2.1
182.02197	10.0
183.02992	14.2
190.99876	2.1
192.00661	2.1
193.01434	1.5
193.05099	3.8
203.03506	1.2
205.01451	1.1
234.01701	9.3
235.02438	9.0
247.02536	0.7
260.03180	1.5
277.38898	0.8
283.09821	1.2
295.04477	6.0
313.05713	2.4
323.07690	1.1
331.06659	3.5
344.01740	1.0
345.08304	13.5
346.08636	1.3
361.07788	1.5
366.34769	0.7
397.07687	9.3
423.09286	2.2
435.97592	0.8
507.11420	100.0
507.27728	2.0
508.11725	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	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29351	0.3
53.97173	0.4
55.17170	0.3
56.62481	0.3
59.01363	1.2
59.01653	0.3
61.04370	0.3
66.67464	0.4
69.03445	1.0
69.56263	2.4
71.01377	1.7
73.02946	0.5
75.00874	0.6
77.03965	0.5
81.03465	0.6
83.01382	5.0
85.02940	0.6
89.02432	0.4
93.03464	0.3
95.01387	0.8
95.04991	0.5
97.02930	1.8
99.00874	3.4
101.02450	0.7
109.02956	0.6
110.00114	0.5
111.00877	3.1
111.04533	0.5
113.02444	0.8
121.02951	1.5
123.00841	0.6
123.04523	0.5
125.02414	1.2
133.02966	3.7
134.03751	0.4
135.04523	3.9
136.98857	0.4
137.02435	4.6
139.00375	2.7
139.04018	1.7
140.01146	5.0
141.01938	6.9
145.02933	0.6
151.03996	1.0
153.01926	7.7
154.02672	1.8
155.03529	0.8
161.02454	9.0
163.04037	1.0
165.01918	6.3
165.05553	0.4
165.99104	1.8
166.02721	0.4
166.99815	1.1
167.03537	0.4
177.01881	1.0
177.05606	0.3
179.03470	2.7
180.99873	0.3
181.01401	5.6
182.02197	90.6
183.02963	64.7
184.03333	1.1
186.01668	2.5
193.05081	0.6
194.02277	0.5
195.02982	2.1
207.03050	0.6
207.05019	1.0
219.02849	0.4
225.04004	0.6
261.06033	0.4
303.07196	7.6
308.29593	0.4
323.07520	1.6
327.07077	1.3
345.08228	100.0
346.08554	4.2
465.10263	0.5
507.11395	54.9
508.11670	3.6
510.48160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70273	0.5
55.66861	0.5
59.01373	1.2
65.00322	1.3
66.59846	0.5
69.03452	1.4
71.01380	1.8
77.03961	0.9
78.92667	0.5
81.03468	2.0
83.01382	5.8
85.02972	1.0
91.05547	0.7
93.03452	0.9
95.01389	1.1
97.02966	1.9
99.00884	2.1
107.05027	2.7
109.02952	4.8
110.00142	0.6
111.00883	4.2
111.04525	0.7
113.02358	0.6
117.03436	0.6
119.05003	0.7
119.54736	0.7
121.02935	2.5
123.00876	1.5
123.04495	0.8
124.01689	0.9
125.02436	1.1
133.02951	5.0
134.03732	3.3
135.04521	95.5
136.04893	2.5
136.98793	3.6
137.02422	6.8
139.00403	3.7
139.04004	1.5
140.01134	1.1
141.01917	5.7
145.02945	1.0
149.02400	0.7
151.03928	1.3
153.01930	41.8
153.05536	3.9
154.02687	0.7
161.02431	1.5
161.66916	0.6
161.68333	0.5
163.04042	0.8
165.01920	7.7
165.99106	1.4
166.02583	1.6
166.99814	1.1
167.03461	3.0
179.03490	55.3
180.03790	1.5
181.01419	61.5
182.02199	64.1
183.02971	67.2
184.03329	1.7
186.01607	1.1
193.01382	1.1
194.02225	0.8
195.02943	1.7
203.03514	1.7
207.02921	3.7
219.02957	1.5
221.04591	1.0
223.02466	0.6
225.03983	1.0
229.05038	0.5
229.76251	0.7
234.01727	0.6
235.02354	0.8
237.04007	0.8
249.03935	1.3
251.05577	1.0
271.06094	4.3
285.06134	2.0
309.06171	0.7
313.07242	1.4
327.07196	100.0
328.07498	4.2
345.08221	31.0
346.08902	0.9
397.07742	1.0
413.10641	0.5
423.09512	0.9
465.10358	1.8
507.11374	67.1
508.11679	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
70.53365	0.8
71.01390	0.4
75.00876	0.3
83.01393	1.1
83.26699	0.3
85.02941	0.4
97.02988	0.8
99.00864	0.8
107.55022	0.4
109.02942	0.4
111.00878	1.2
111.04478	0.3
112.30402	0.3
121.02951	1.1
125.02438	0.6
135.04514	0.8
137.02446	2.5
139.00346	1.1
139.04027	1.0
140.01100	0.4
141.01936	1.8
151.04019	0.7
153.01923	1.5
155.03470	0.9
161.02415	0.3
163.03964	0.4
165.01915	3.6
165.99103	1.0
166.02654	0.3
167.03564	0.5
177.01942	0.6
181.01422	3.2
182.02199	67.5
183.02966	77.0
184.03325	1.9
193.05057	0.5
194.02036	0.3
195.02963	2.2
205.04951	0.3
207.02934	0.7
207.05055	0.7
216.95412	0.3
225.04047	0.3
226.61438	0.4
226.82446	0.3
233.25087	0.3
250.69751	0.3
303.07095	0.4
303.87268	0.3
345.08231	100.0
346.08539	4.3
484.20715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.6
57.03429	0.5
59.01369	0.6
65.00306	0.5
69.03434	0.8
70.89719	1.2
71.01385	1.3
81.03466	1.0
83.01385	4.9
85.02942	1.6
93.03436	0.8
95.01369	0.6
97.02928	1.2
99.00864	1.6
107.05011	0.8
109.02933	2.2
111.00883	2.5
121.02931	1.1
123.00845	0.6
123.04513	0.9
125.02446	0.6
127.04005	0.6
133.02956	2.2
134.03712	1.0
135.04521	26.7
136.98784	1.1
137.02441	4.7
139.00374	2.1
139.04033	1.1
140.01123	1.9
141.01935	4.6
151.03995	1.2
153.01932	22.8
153.05479	0.5
154.02658	1.0
155.03459	1.0
161.02446	3.8
165.01923	6.2
165.99060	1.2
166.02608	0.6
177.01842	0.7
179.03499	7.3
181.01422	26.9
182.02194	77.3
183.02966	65.4
184.03313	1.5
186.01668	1.9
191.03467	1.2
192.03883	0.6
194.02092	0.7
195.03029	2.6
203.03380	0.5
207.02933	1.6
207.04819	0.7
225.04050	0.8
284.03299	0.7
303.07413	1.2
323.07758	0.5
327.07208	36.6
328.07526	1.7
345.08237	100.0
346.08597	4.3
348.80093	0.8
397.07861	0.6
431.38101	0.5
507.11407	21.3
507.22433	1.3
508.11740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.31585	7.7
79.39546	2.1
133.48332	2.3
286.74451	2.3
372.44031	2.4
499.17642	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	507.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	15.7
65.31274	0.7
71.01382	1.0
77.06924	0.8
88.98803	100.0
94.52359	0.9
98.22707	0.7
106.18050	0.8
109.02939	2.2
115.75146	0.8
138.23108	0.8
151.00298	1.0
153.01942	1.4
181.01393	2.5
182.02176	5.7
183.03001	4.4
190.99890	3.4
192.00600	2.5
227.03438	1.1
234.01665	8.6
235.02402	7.3
243.06516	0.9
247.46645	0.9
255.02722	1.0
274.94858	0.8
284.03510	1.9
327.07236	2.0
345.08514	5.7
397.07776	10.0
417.08231	2.6
423.09122	1.4
487.13254	0.8
507.11874	2.1
507.27921	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	507.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
62.65297	0.4
71.01395	0.6
75.77441	0.4
81.03434	0.5
83.01391	1.5
85.87083	0.4
97.02948	1.3
99.00877	1.4
109.02933	0.8
111.00867	1.4
111.04482	0.7
121.02943	1.5
123.93229	0.5
125.02473	0.6
135.04503	0.9
136.98740	0.4
137.02444	3.8
139.00360	1.2
139.03932	0.5
140.01198	0.6
141.01936	2.6
151.03981	0.9
153.01933	2.9
155.03452	0.5
165.01918	6.9
165.99019	1.5
166.99821	1.4
179.03497	0.5
181.01410	4.0
182.02199	76.5
183.02966	71.6
184.03271	1.4
186.01732	0.5
194.02138	0.5
195.02957	1.4
207.03120	0.7
207.05124	0.5
345.08237	100.0
346.08557	4.7
347.97763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77229	1.0
59.01374	17.8
61.98825	1.8
66.61498	0.9
68.91580	0.7
70.09399	0.9
71.01379	4.2
71.52312	1.0
71.52667	1.0
73.02927	1.8
83.01329	1.2
85.02931	1.1
88.95000	0.7
89.02431	2.8
89.27318	0.7
101.02438	4.3
108.71980	1.0
113.02432	1.9
117.96188	1.0
119.03496	1.0
154.69966	1.0
161.04549	1.6
175.89809	0.8
209.11801	100.0
210.12143	2.9
235.08119	2.3
249.09724	0.9
253.09259	10.2
316.61749	0.9
445.20868	1.0
491.19608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.0
59.01377	28.6
61.98825	1.7
71.01379	26.1
71.02389	0.8
71.51471	1.0
72.00907	13.5
72.99309	1.0
73.02947	0.8
78.95895	2.6
85.02948	3.5
87.00881	2.1
88.98803	2.6
89.02440	36.5
93.25835	0.8
95.01363	1.4
96.25052	1.0
101.02436	13.0
103.05527	0.9
109.02917	1.0
113.02433	12.3
119.03500	11.4
121.74465	0.8
131.03490	1.7
143.03461	3.1
147.04521	39.8
149.04584	0.9
158.92543	3.0
160.91023	0.8
161.04550	5.0
164.07158	89.6
165.07558	1.5
179.04149	1.4
179.05611	20.1
183.02977	1.9
205.53223	0.8
221.35010	0.8
227.06947	0.9
232.88739	0.8
237.11438	0.7
293.75110	0.8
341.10849	100.0
342.11206	2.6
345.08163	0.9
358.19516	0.8
408.00076	1.1
427.36478	0.8
505.98621	1.1
507.13358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21143	1.1
59.01374	14.5
64.18812	1.2
65.66597	1.0
65.71951	1.1
71.01378	13.0
71.17937	1.4
71.18262	2.1
73.02944	3.2
81.57171	1.1
85.02932	2.0
87.00890	2.6
89.02449	13.1
91.05534	1.8
101.02449	10.4
108.02159	3.3
109.02910	5.5
113.02433	6.3
115.00383	1.6
119.03490	7.9
119.04968	3.0
121.02962	100.0
125.02425	6.2
131.03510	2.2
135.04521	7.6
138.03214	2.1
139.03741	1.5
143.03493	3.1
161.02409	2.3
161.04536	3.0
161.05930	1.2
163.04015	7.7
167.03470	2.4
174.88954	1.6
179.03485	4.5
179.05582	7.6
179.07903	1.2
194.02170	2.6
195.02713	1.2
213.06248	1.2
221.06616	4.0
226.06339	3.8
227.07080	12.2
239.07193	1.1
253.08644	3.2
255.10255	21.3
263.07678	1.1
266.05844	1.9
281.08228	5.5
299.09061	1.8
323.09860	17.2
325.07132	1.9
341.10223	2.1
343.08163	7.9
357.08252	4.8
358.08563	12.8
445.13440	1.8
505.13815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
64.54471	0.6
67.14585	0.6
69.30195	1.6
69.30611	4.4
71.01368	3.7
72.99317	1.6
73.02934	0.8
78.95906	1.3
83.01390	1.4
86.82274	0.7
87.00877	10.7
98.19926	1.3
101.02418	0.7
111.00893	2.6
112.98808	100.0
113.99142	1.9
145.01439	1.3
152.99527	1.0
154.99915	1.0
209.65094	0.7
247.12941	0.8
277.21719	12.9
278.21948	1.0
281.24860	7.1
289.21762	7.7
291.23154	1.2
319.22479	0.8
361.23975	4.5
389.23282	1.8
394.53448	0.7
405.22720	2.4
506.32452	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	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01386	1.0
61.98829	0.3
63.02391	0.2
65.00329	0.6
67.01890	0.2
69.42609	1.1
71.01392	0.5
73.02958	0.1
75.00895	0.1
81.03452	4.8
83.01385	2.5
85.02950	0.3
88.98846	0.2
89.02466	0.2
93.03465	0.2
95.01359	0.2
95.05057	0.8
99.04491	0.2
101.02451	0.2
105.03502	0.2
107.01414	0.6
108.02219	0.2
119.05013	0.3
123.04523	28.6
124.04843	0.4
125.02434	3.8
128.03552	0.2
129.01936	0.3
132.02190	0.6
133.02986	0.4
134.03740	0.9
137.02400	0.3
143.04639	0.2
145.02948	0.5
149.02435	0.3
149.06036	0.2
151.00357	1.6
160.01665	2.6
161.02394	0.5
161.04622	0.2
163.04001	0.4
167.03487	100.0
168.03824	2.3
175.04004	2.4
179.03423	0.3
181.05084	0.6
182.02243	0.2
191.03481	0.5
193.05042	1.1
205.05092	0.2
206.02267	0.3
209.04588	0.2
217.98863	0.1
221.04604	0.3
233.04607	0.3
251.05743	0.2
311.07736	2.7
325.03516	0.2
329.08755	0.2
337.09256	2.6
505.13855	2.2
505.20233	0.3
505.26416	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	505.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16440	0.3
53.82216	0.3
58.90729	0.4
59.01368	1.0
61.98825	0.7
69.38476	2.8
77.04004	0.4
91.13402	0.4
98.19901	0.7
116.23698	0.3
121.02950	100.0
122.03294	1.1
146.51030	0.4
159.33961	0.4
170.41502	0.4
180.05739	0.7
181.06590	2.8
197.06047	2.5
207.04443	1.1
223.03889	0.5
225.05542	2.2
257.09747	1.2
274.90915	0.4
313.07239	4.4
313.10608	0.8
337.79150	0.5
343.15381	0.8
351.64569	0.4
357.06079	1.1
366.26263	0.4
373.10559	0.4
383.07755	1.1
417.09741	9.7
418.10114	0.7
465.57715	0.5
505.11435	11.4
505.20590	2.8
506.11246	0.8
521.89368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57389	0.7
59.01373	3.8
71.01376	3.6
71.51781	0.8
78.95904	0.8
84.55997	0.8
85.02939	1.3
89.02448	3.9
93.03454	3.1
101.02443	4.1
108.02156	1.9
108.32745	0.7
109.02959	4.4
111.00837	0.7
113.02457	1.5
114.67581	0.6
115.00352	0.8
119.03473	1.7
119.05023	1.8
121.02948	30.3
121.05259	0.7
122.03709	0.8
125.02457	1.8
133.02968	0.9
135.04520	6.4
137.02386	0.9
138.03220	1.0
145.02919	1.3
147.04503	0.7
161.02481	1.4
161.06108	1.2
163.03976	2.5
179.03476	4.4
179.05579	2.9
185.06076	1.5
194.02209	0.9
195.02831	0.9
199.07632	1.5
209.06044	1.9
210.06870	1.6
221.06668	1.6
225.05522	2.0
226.06331	6.7
227.07120	100.0
228.07498	4.0
239.07169	2.9
253.08780	2.5
255.10217	14.7
262.39453	0.6
263.07510	1.4
266.05740	1.6
281.08096	5.9
283.06027	0.8
299.09351	1.0
323.09900	3.8
325.07162	2.4
341.10172	2.2
343.08185	7.8
357.08163	1.3
358.08585	1.9
359.08813	2.5
385.09399	0.9
445.13922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01380	0.9
61.98823	2.2
63.02393	0.8
65.00307	1.3
66.22248	0.2
69.60069	0.9
69.60477	0.4
71.01374	0.3
72.99322	0.5
73.02939	0.3
83.01385	1.2
89.02451	0.3
91.01902	0.3
93.03425	0.4
101.57220	0.2
107.01377	3.1
108.02159	1.6
109.02933	1.9
113.02479	0.2
119.01424	0.3
121.02929	2.0
123.04501	0.4
124.01645	0.2
125.02437	0.4
129.07059	0.2
129.53813	0.3
132.61000	0.2
133.02943	0.9
134.03749	0.3
135.00890	1.2
135.04515	6.4
136.04860	2.3
137.02409	0.4
137.05064	0.8
139.04051	0.3
145.02969	1.1
147.00847	0.3
147.04488	0.3
148.01646	1.6
149.02437	0.7
150.74205	0.2
151.00357	10.3
151.03915	0.2
153.01970	0.3
153.14517	0.2
158.62585	0.2
159.04460	0.5
160.01639	1.1
161.02415	2.7
162.02792	0.6
163.00380	2.6
163.02792	0.3
163.04062	0.3
164.01128	0.7
165.01903	0.5
169.01378	0.5
171.04588	0.3
173.06007	0.3
174.03156	0.4
175.02640	0.3
175.03992	1.8
177.01874	0.2
178.98270	0.3
178.99866	5.5
179.03476	5.8
179.04980	0.4
180.00262	0.3
180.03818	2.9
181.03973	1.8
182.02173	0.5
183.02966	0.3
183.04460	0.5
185.02469	0.3
187.03960	0.5
190.99878	0.7
192.00595	0.4
193.01317	0.3
193.05064	0.4
197.00940	0.2
197.04555	1.1
198.03171	0.2
199.03929	0.8
201.05473	0.5
203.03511	1.2
211.04012	1.4
211.97813	0.2
214.02705	0.3
215.03418	0.9
216.04228	0.8
223.89848	0.2
226.02722	1.8
227.03497	3.3
229.01392	0.3
229.05070	0.8
239.03438	0.4
243.02953	12.0
244.03503	0.8
245.04599	1.4
254.02170	2.6
255.02968	29.1
256.00980	0.3
256.03284	1.5
266.02228	0.3
271.02448	63.3
272.02896	3.5
273.03812	1.1
283.02579	1.6
299.02036	1.7
300.02716	100.0
301.03458	42.7
302.03839	1.2
323.07657	0.3
337.09036	0.4
343.04529	0.5
343.08606	0.3
345.08441	0.2
349.50125	0.2
351.09949	0.3
369.10703	0.3
385.12921	0.4
413.09900	0.3
433.23804	0.3
444.15530	0.3
445.07260	0.3
461.14404	0.7
463.08798	3.7
464.08588	0.4
473.11810	0.4
505.09796	76.9
506.10059	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	504.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
60.51236	0.8
60.86721	0.7
60.87047	0.7
63.04974	0.8
69.40463	4.3
71.01384	2.4
75.34449	0.7
79.01883	2.7
83.01393	1.3
85.02975	0.6
89.02434	2.4
94.39645	0.7
101.02448	1.7
102.05605	8.5
113.02400	0.9
119.03514	1.3
119.05029	0.9
121.02164	1.3
121.02960	17.1
123.04539	1.0
125.02454	3.1
128.03551	3.9
135.04524	1.5
137.02422	2.8
138.03224	22.9
146.04596	13.6
149.02467	1.2
151.00293	1.7
153.01958	1.4
161.04596	0.7
163.04050	1.4
165.01955	0.7
166.02718	9.1
167.03491	13.2
170.02222	7.0
179.03517	1.7
179.05640	1.6
182.02182	2.5
183.02927	3.3
193.05008	0.7
194.02203	32.2
195.02983	11.8
207.03012	0.8
226.01074	0.9
227.07162	2.7
255.10316	3.7
281.08105	1.2
286.37628	0.8
323.09708	2.4
329.08813	0.8
343.08069	2.2
345.08255	3.2
357.08246	100.0
358.08597	6.4
395.95917	0.8
425.05954	0.9
443.37729	0.7
473.99576	0.7
515.21985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67930	0.5
59.01376	0.8
71.51749	0.9
79.01888	1.8
83.01384	1.5
83.66314	0.5
83.66831	0.5
96.96004	1.0
101.02424	0.7
123.00870	0.6
125.02470	1.4
127.05147	1.8
128.03548	0.9
133.02963	1.3
135.04503	3.1
137.02414	4.2
137.87361	0.5
138.03227	25.7
139.03923	0.9
145.06161	4.9
149.02449	0.5
151.00359	1.8
151.04027	0.6
153.01904	1.3
161.02409	4.3
165.01920	1.3
166.02699	11.2
167.02162	0.9
167.03505	11.6
170.02197	10.7
179.03520	3.8
182.02164	3.1
183.02968	3.1
191.83295	0.5
194.02196	36.1
195.02948	11.6
221.04556	1.1
222.97162	0.5
226.01132	1.1
245.36542	0.5
329.08826	1.0
345.08209	3.4
353.06345	0.5
357.08246	100.0
358.08502	4.5
503.14297	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	503.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	45.6
96.96960	3.6
138.82562	1.0
143.04626	0.9
150.98041	1.1
152.99577	54.7
171.00630	19.3
183.30792	0.8
224.00656	0.7
227.03180	2.5
229.76456	1.0
231.21167	34.3
232.21495	1.7
245.04298	100.0
246.04604	1.7
275.20135	47.2
276.20459	2.2
352.94885	0.8
382.06241	0.8
503.24106	34.2
504.24667	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34108	0.5
53.21428	0.6
53.73012	0.5
57.03435	1.8
59.01372	1.4
61.98827	14.8
69.03442	0.6
71.00349	1.3
78.82322	0.5
81.03441	1.9
83.01381	1.4
95.01365	0.7
95.05043	0.6
96.96018	1.8
96.96960	0.7
97.02937	2.5
107.01359	1.4
109.02950	7.7
117.03446	1.0
119.05003	1.4
121.02873	0.7
123.00866	1.3
123.04504	4.1
124.01665	0.9
125.02440	59.2
126.02795	1.0
133.02934	2.6
135.04527	6.3
136.04886	1.0
137.02437	8.7
139.00380	0.9
139.04007	1.3
145.02972	3.2
149.02438	2.6
151.04019	4.5
153.01894	0.7
159.04509	1.2
160.20650	0.6
161.02435	9.1
161.06075	1.7
162.02792	0.7
163.03999	1.7
164.01102	1.3
165.01895	1.5
166.99834	1.8
168.00650	2.1
169.01410	100.0
170.01791	1.7
179.03503	6.3
180.03793	1.2
185.06017	1.0
187.04082	1.1
188.04787	0.6
193.01427	4.2
197.04524	1.1
201.05423	0.6
202.06444	0.6
203.03354	0.8
203.07120	4.5
205.04974	2.9
227.07048	1.3
239.86198	0.7
245.08160	7.5
253.05109	0.7
271.06058	5.1
283.15369	0.9
289.07162	38.7
290.07413	1.2
303.05087	2.2
306.07678	0.9
323.07706	1.1
331.04669	2.5
341.08597	0.9
385.12936	0.8
397.09952	0.6
441.08224	43.7
441.16965	3.7
442.08594	2.8
505.88959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
60.85773	0.3
61.98821	0.8
68.99558	1.2
70.66512	0.6
70.66895	0.3
71.01376	0.9
73.02945	0.4
85.02943	0.4
87.00938	0.3
89.02460	0.5
94.79178	0.3
101.02435	0.6
112.98557	0.7
113.02447	0.4
119.63546	0.3
135.04576	0.4
145.02908	0.3
158.22650	0.3
179.03455	0.4
183.08127	0.8
183.20546	0.3
185.05983	0.4
187.07629	0.9
191.01016	0.3
195.08830	0.3
196.05309	0.4
209.06065	0.3
210.06851	4.0
211.07620	13.6
212.08041	0.6
213.05565	4.4
223.07701	0.6
225.05476	2.5
226.06371	1.4
227.07050	0.5
239.07086	0.5
251.07164	1.5
254.05833	3.1
255.06607	100.0
256.06970	5.0
267.06445	0.4
279.06528	1.6
297.07660	1.9
360.50186	0.3
417.11884	1.2
459.12943	58.5
460.13293	4.5
460.19263	0.4
503.19333	0.3
503.25119	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56639	0.4
59.01382	3.1
60.50221	0.4
61.98833	0.5
71.01382	2.0
71.51681	0.5
71.90817	0.4
73.54129	0.3
78.95911	2.9
83.01361	0.6
85.02966	0.3
87.00881	0.4
88.98774	0.5
89.02444	1.8
95.06788	0.4
96.96011	10.4
96.96946	3.9
101.02417	0.7
105.61051	0.4
111.97070	0.4
117.03452	1.3
125.02454	0.5
132.02126	2.3
133.02954	20.5
134.03740	0.5
135.04523	26.2
136.04877	0.6
137.02434	0.8
138.03183	0.8
149.06044	1.4
153.01929	0.5
160.01639	3.1
161.02435	100.0
162.02786	2.4
167.03491	0.9
175.04054	0.8
177.05557	2.1
178.02699	0.6
179.03488	46.3
180.03761	0.7
190.12683	0.4
192.04771	0.4
194.02164	1.8
197.11845	0.4
203.03494	2.0
221.04576	2.4
255.03194	0.4
281.06546	1.1
323.07675	9.2
324.08041	0.5
341.08743	62.1
342.09140	2.7
355.43237	0.4
357.08334	3.9
365.08691	0.8
383.09799	0.5
503.14063	22.4
504.14148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18259	0.4
58.73413	0.7
59.01370	3.4
61.98834	0.5
63.71601	0.5
71.01363	3.1
71.13267	0.5
71.51283	0.6
78.95918	3.8
85.02966	0.7
87.00877	0.5
88.98798	0.6
89.02462	1.7
96.96008	10.5
96.96951	5.2
101.02443	1.5
113.02454	0.9
117.03468	1.6
117.97330	0.5
125.02413	0.8
132.02170	2.5
133.02951	20.6
134.03720	0.6
135.04521	28.5
136.04820	0.6
137.02406	1.0
138.03209	0.6
149.06027	1.0
153.01900	1.4
154.37627	0.5
160.01646	3.1
161.02431	100.0
162.02768	2.7
175.04039	1.5
177.05582	2.7
179.03484	46.4
180.03867	1.3
194.02191	1.5
195.02875	1.0
197.06033	0.5
203.03508	4.4
221.04518	2.2
268.37140	0.5
303.59842	0.5
323.07614	7.8
341.08725	57.3
342.09317	2.8
350.31021	0.5
357.08185	1.9
365.08749	0.6
376.46597	0.5
443.11942	1.0
503.13998	23.5
504.14435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1192
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
70.82320	0.8
77.60267	0.5
107.05037	1.0
132.02142	0.7
133.02959	5.1
134.03726	3.7
135.04518	84.5
136.04852	1.9
149.06064	0.6
161.02438	18.5
162.02812	0.6
175.03989	1.6
177.05542	0.8
179.03487	100.0
180.03792	2.6
203.03485	8.9
215.59128	0.4
284.27390	0.5
323.07819	4.5
326.05042	0.4
341.08755	3.9
401.82501	0.5
503.11960	11.1
504.12384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28137	0.3
59.01366	0.8
69.20763	0.3
69.25308	0.7
69.25709	2.1
71.01375	0.4
73.89400	0.3
84.95136	0.4
91.05505	0.5
107.05042	1.2
109.03013	0.4
112.67594	0.3
117.03423	0.6
119.05066	0.3
130.74031	0.3
133.02965	6.3
134.03758	4.6
135.04529	99.0
136.04849	2.0
137.02481	0.4
138.03282	0.7
149.06076	0.7
161.02443	23.5
162.02745	0.6
167.03653	0.4
175.03999	2.8
177.05579	1.8
179.03499	100.0
180.03828	3.3
193.48401	0.3
194.02179	1.0
203.03505	18.7
204.03859	0.6
221.04518	1.0
245.04520	0.3
323.07675	4.2
341.08789	9.0
357.08279	2.6
503.11960	10.5
504.12152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.82509	0.3
72.41869	0.3
75.88210	0.3
108.06141	0.3
117.59346	0.4
117.90166	0.3
165.48689	0.3
205.95081	0.4
273.13791	0.3
469.01428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37186	0.8
54.30156	0.7
56.98985	0.7
61.98827	100.0
67.90195	0.9
73.23960	0.7
78.95948	0.9
99.75536	0.8
162.00964	0.8
248.74376	0.8
277.21924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36713	0.2
61.98828	100.0
65.18137	0.2
67.03988	0.2
69.18269	0.2
70.11718	0.8
79.31535	0.2
90.18440	0.2
95.55847	0.2
96.30099	0.2
98.19990	0.3
105.59692	0.2
122.66676	0.2
163.66682	0.2
383.60638	0.2
524.98138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13754	0.3
53.14771	0.3
53.28207	0.2
59.01374	0.6
61.98830	1.5
68.07515	0.3
70.52494	0.4
70.52834	0.6
71.01406	0.4
81.37741	0.2
81.44162	0.2
84.72272	0.2
84.98362	0.2
89.02425	0.3
93.03454	1.4
96.99322	0.4
106.56916	0.3
107.05047	0.6
109.02989	0.3
117.03494	0.6
123.04512	0.3
125.02438	1.4
128.03531	0.3
132.02145	0.4
133.02948	5.7
134.03717	1.6
134.04604	0.3
135.04524	75.3
136.04842	1.5
137.02425	0.6
137.07719	0.3
141.01897	0.3
149.02388	0.4
151.00354	0.8
151.03973	0.7
151.07668	0.6
157.09271	0.2
160.08133	0.3
161.02437	17.1
162.02736	0.3
164.54210	0.3
165.01932	0.6
169.01421	2.4
171.04512	0.4
177.01935	0.5
179.03491	100.0
180.03815	2.4
182.02255	0.5
183.02811	0.9
185.03307	0.4
195.03003	0.7
195.06644	1.3
203.03467	0.4
203.07112	0.5
210.06862	0.5
237.09354	0.4
264.07898	0.5
265.08755	1.1
273.03088	0.3
289.07175	1.0
297.11295	1.2
306.07901	0.4
323.07593	1.0
341.08734	17.4
342.09128	0.7
346.08585	0.4
347.08765	1.3
359.08316	0.3
427.14261	0.3
441.08600	1.3
465.09857	1.4
503.11322	0.9
515.63983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52621	0.2
54.36829	0.2
55.84299	0.2
61.98826	100.0
74.76092	0.2
78.95896	0.2
80.74717	0.2
97.54523	0.2
98.19862	0.5
156.08237	0.2
171.00111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01378	25.8
61.98825	1.9
66.97924	0.6
69.03457	1.1
70.52479	1.8
71.01371	3.9
71.05034	0.7
73.02930	2.2
81.03451	1.4
83.01388	2.4
83.05016	1.2
85.02950	2.3
85.06555	0.7
89.02423	2.2
93.03459	6.9
95.01384	1.2
95.05035	1.3
96.96012	3.1
97.02949	6.5
97.06584	3.0
97.42872	0.7
97.59312	0.6
99.00877	1.2
99.04543	1.0
101.02438	2.5
107.05027	1.3
109.02945	4.7
109.06592	2.9
111.00875	1.9
111.04507	4.4
113.02437	3.8
119.03477	0.9
119.08665	1.2
121.06566	3.2
122.03739	6.8
123.04527	2.5
123.08173	1.3
124.05274	0.8
125.02406	1.0
125.06097	0.8
125.09597	0.6
125.48827	0.6
135.00830	0.8
135.04552	1.4
135.08200	0.9
136.05276	1.0
136.49599	0.6
136.98798	1.6
137.02437	4.8
137.06058	6.5
137.09741	1.2
139.00357	0.9
139.04015	0.8
139.07658	6.8
141.01904	1.6
147.04474	0.7
147.08118	0.9
148.05370	0.8
149.06056	1.1
151.04005	1.2
153.01921	19.2
161.02455	0.6
161.04478	1.1
163.07675	2.2
164.07155	3.0
165.01906	3.5
166.02753	1.0
168.07857	2.0
173.04573	4.1
176.42078	0.7
177.12790	2.6
181.01421	29.3
182.02196	17.9
183.02971	24.5
187.11308	7.7
188.11739	0.8
189.09238	1.0
190.09944	2.2
203.03421	0.9
205.12320	14.7
206.08195	6.5
207.02991	1.8
217.12413	1.1
229.12355	1.6
231.10258	0.8
235.13388	4.8
261.11450	1.1
273.11429	2.1
279.12354	100.0
280.12756	4.5
291.74698	0.8
303.12317	4.9
321.13242	3.1
327.07190	52.1
328.07486	2.2
345.08255	2.5
458.26144	1.0
501.12503	13.2
501.19336	0.5
502.12756	1.0
502.29001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	80.9
67.77148	1.4
71.01375	7.6
73.02943	5.4
78.95903	4.1
81.82839	1.5
83.01373	1.7
85.02959	2.1
88.43043	1.4
89.02452	3.2
98.20657	5.6
99.05645	2.5
101.02439	3.2
113.02464	5.7
126.77936	1.5
128.03539	3.1
143.04613	4.1
152.99551	5.0
161.04506	2.7
191.79359	1.5
209.11801	6.9
273.22150	4.9
277.21704	100.0
278.22025	3.7
291.23303	23.6
298.36850	1.4
301.21457	3.5
306.07526	3.9
319.22739	6.0
329.90015	1.8
455.16858	3.0
496.77029	1.9
520.28632	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	500.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20375	1.5
59.01374	5.1
61.98840	3.5
62.63264	1.6
71.01379	6.3
72.99307	1.8
83.01423	1.8
83.90622	1.8
85.02951	18.4
87.00871	25.2
98.20653	7.0
115.00362	23.3
116.05061	1.8
129.01909	3.2
152.99532	3.0
157.01421	21.0
175.02557	9.8
176.72096	1.9
190.55721	1.7
243.11127	2.1
260.55066	1.8
279.23260	57.1
280.23621	2.0
425.52383	1.8
427.77689	1.9
437.25430	100.0
438.25711	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	501.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76517	1.0
56.97721	0.9
67.34421	1.0
69.31404	4.2
69.31881	4.3
69.90115	1.1
83.01385	100.0
98.19792	1.7
108.30243	1.0
115.66270	1.1
126.90626	1.0
135.65843	1.1
141.01915	3.4
154.99864	77.1
238.66280	1.1
345.08276	1.3
458.06799	1.9
465.13947	2.0
527.34430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
60.85469	0.6
61.98819	1.5
62.31562	0.6
71.01379	1.7
71.52769	0.9
85.02925	1.0
86.66018	0.6
88.98857	0.8
93.03447	0.6
101.02466	1.1
113.02471	0.9
117.03464	11.0
119.05025	86.2
120.05377	1.9
121.02983	1.0
125.02454	1.2
129.44095	0.7
132.02176	7.1
133.02953	4.6
134.03748	15.7
135.04338	0.9
137.02429	0.9
143.04567	0.9
145.02948	34.9
146.03351	0.9
149.06055	2.5
153.01961	1.1
160.01649	38.6
161.02252	1.1
161.06154	0.9
163.04004	100.0
164.04347	2.7
172.70946	0.7
175.03995	48.9
176.04428	1.2
177.01924	2.6
178.02686	2.1
181.01392	1.2
182.02136	1.2
183.02928	1.2
187.03946	0.7
193.05038	17.1
194.05399	0.7
202.02638	1.5
217.05060	4.7
271.05960	0.7
289.07239	1.9
291.12799	0.6
306.07538	0.7
307.08218	8.0
322.06973	3.2
333.34286	0.8
337.09274	51.2
338.09564	2.5
446.80859	0.7
457.21930	1.0
501.14209	3.4
501.21405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Rolapitant
Peak:m/z	Relative Intensity
57.03430	0.9
59.01381	1.5
61.98821	0.9
69.03448	2.0
69.29837	3.2
69.30262	1.1
71.01379	1.6
77.03949	1.0
80.04160	0.4
83.01381	3.0
85.02950	1.3
95.01417	0.6
97.02960	1.1
99.00883	2.0
109.02990	0.5
110.00105	1.4
111.00912	3.9
111.04465	0.6
121.02966	2.4
123.00814	0.7
125.02426	0.8
125.09692	0.5
135.70360	0.5
137.02437	6.9
139.00348	3.5
139.04010	0.9
140.01147	1.1
141.01929	4.2
151.04012	1.0
153.01939	4.5
154.95993	0.5
155.03471	0.6
165.01921	8.2
165.99091	2.4
166.02708	1.0
166.99876	2.6
167.03487	0.5
168.90431	0.5
171.10220	3.3
181.01424	8.4
182.02206	100.0
183.02969	92.0
184.03313	2.0
194.02184	1.0
195.02963	2.5
207.03003	0.7
262.08435	1.0
263.09070	0.6
266.45230	0.6
314.55209	0.6
327.07172	2.0
345.08264	0.9
425.14542	2.2
499.18222	90.0
500.18552	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78295	0.7
55.03783	0.6
59.01378	69.4
61.98852	0.8
63.72654	0.6
66.81746	0.6
74.02464	1.0
76.42017	0.5
78.95898	13.8
86.00381	0.6
95.64960	0.6
96.96994	0.9
99.05608	0.8
109.04039	0.7
128.03539	3.2
143.04628	4.2
152.99571	12.4
155.37608	0.6
160.00664	0.7
171.00641	3.9
177.03371	0.6
179.04718	1.0
182.02153	2.3
183.02901	2.2
209.11813	5.2
210.08765	0.6
212.10626	0.7
227.03122	1.2
229.70242	0.7
245.04346	5.8
253.21736	1.0
254.07816	1.7
271.22766	100.0
272.08960	1.1
272.22964	4.4
284.70340	0.7
306.07568	3.8
307.07886	0.7
455.16916	3.8
499.18637	2.1
499.26727	41.0
500.27176	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	498.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33617	1.0
57.03462	1.3
59.01377	6.4
60.06760	1.2
61.98827	7.8
67.01845	1.4
69.92897	2.3
69.93301	4.3
71.01386	8.2
72.99306	1.1
78.95906	3.2
83.01385	1.6
85.02956	17.9
87.00877	26.6
88.98801	1.7
115.00377	19.3
129.01918	3.9
155.40041	1.1
157.01401	22.8
175.02472	13.3
189.16747	1.2
277.21692	47.2
278.22043	3.4
435.23846	100.0
436.24194	7.2
460.55942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94959	0.6
58.15124	0.5
61.98823	4.0
63.00180	0.5
67.99968	0.5
70.37901	1.2
70.38264	1.0
78.95903	42.7
80.74146	0.6
83.62505	0.6
83.63136	0.5
96.96954	4.9
102.15456	0.5
150.98015	2.0
152.99577	100.0
153.99911	0.9
160.47572	0.5
171.00630	4.3
174.61995	0.5
194.43987	0.6
256.02310	0.5
281.24854	1.2
336.47888	0.5
372.35873	0.5
435.25131	31.4
436.25604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50151	1.0
57.03446	1.5
58.00596	1.2
58.82273	0.9
59.01161	1.1
59.01384	11.8
61.63265	1.1
69.86880	5.6
71.01373	7.6
72.99297	1.3
73.02948	5.3
73.03322	1.1
81.03457	2.5
83.01405	2.3
83.05017	2.3
85.02943	4.6
87.00869	3.3
89.02454	5.9
93.03455	26.8
95.05000	1.1
97.02952	1.2
98.20540	2.1
99.00897	1.2
99.04498	2.2
101.02438	4.3
106.04240	1.6
107.05033	3.8
109.02955	6.2
111.04509	5.5
113.02462	5.2
117.03483	7.6
119.03575	2.6
119.05030	40.2
121.02958	3.8
123.04535	3.7
123.53468	1.2
125.06076	2.5
127.67906	1.1
131.05026	3.1
132.05815	4.1
133.06625	11.8
135.04475	1.5
137.02460	4.0
143.05013	1.7
145.02956	52.1
145.06593	2.7
147.04530	4.2
155.03532	1.6
156.05785	2.0
157.06555	3.4
159.04530	4.9
160.05351	2.4
161.06068	30.6
163.04031	20.6
169.06647	2.7
171.04529	2.6
171.08044	1.9
172.05312	1.1
173.04549	3.6
173.06064	3.9
175.02490	2.6
175.03918	1.4
175.07607	1.7
177.05571	4.8
179.05531	1.5
183.08142	1.6
184.87457	1.2
185.06145	3.1
187.03969	16.1
187.07643	7.4
189.09253	3.0
191.07195	2.6
193.06651	2.0
195.08209	5.5
197.06085	2.3
198.06889	1.4
199.07602	2.8
203.07101	1.9
205.05031	10.2
211.07651	7.0
213.05699	2.0
213.09187	9.6
215.07172	6.6
216.07646	1.2
227.07188	1.6
229.08701	5.3
231.10199	4.4
235.05994	1.5
239.07190	2.9
257.08221	3.1
265.07083	7.3
275.09216	11.8
293.10321	9.2
319.08212	39.1
320.08643	1.4
325.09271	21.6
326.09869	1.6
337.09259	100.0
338.09647	4.3
341.10855	3.3
351.10699	5.7
379.10324	77.2
380.10800	4.4
409.11456	11.1
439.12442	48.6
440.12778	4.2
499.14636	43.9
500.14929	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	497.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01152	0.7
69.03452	0.6
69.25765	6.1
77.03975	0.9
83.01383	1.2
98.20690	1.3
99.00896	1.0
99.64147	0.8
111.00871	1.4
121.02944	2.0
123.23469	0.8
137.02441	4.2
139.00356	1.0
141.01932	2.0
153.01906	1.5
165.01944	6.2
165.99098	1.5
166.99904	1.2
169.01443	0.7
181.01398	2.5
182.02211	69.4
183.02985	82.5
184.03255	1.5
195.02956	1.8
336.84305	0.9
345.08234	100.0
346.08487	4.6
478.78058	0.8
497.09277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39708	0.2
50.47954	0.2
53.24627	0.2
55.52951	0.2
61.98829	100.0
63.99251	0.7
65.00339	1.5
65.30730	0.2
69.81026	1.0
80.07988	0.2
81.03448	0.6
87.81348	0.2
93.03451	0.4
108.99330	0.2
119.05022	0.4
123.04533	1.7
125.02457	1.4
152.98323	0.8
156.81271	0.2
167.03500	6.1
179.03473	0.7
182.02258	0.3
229.08928	0.2
273.07651	9.9
274.07977	0.3
287.04486	0.2
345.07767	0.3
433.10309	0.2
435.12973	2.3
436.13498	0.2
467.08405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16372	0.5
55.99236	0.6
61.98827	13.7
69.29002	4.8
86.48975	0.6
94.24158	0.6
106.54082	0.6
107.01362	1.2
108.02158	0.9
135.00899	0.9
148.01656	1.3
151.00339	4.4
153.01917	0.7
163.00371	1.8
178.99805	2.2
226.02733	0.9
227.03421	1.6
243.02936	7.2
245.04539	0.9
254.02132	2.1
255.02959	20.9
256.03345	1.0
271.02444	43.6
272.02936	3.4
283.02383	1.1
285.03995	2.8
299.02069	0.8
300.02707	94.0
301.03403	21.5
302.03748	0.7
343.04181	0.7
433.07703	100.0
434.08090	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	496.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75746	0.2
54.66708	0.3
59.01356	0.2
61.98827	100.0
62.24615	0.2
98.20747	0.6
109.03007	0.3
123.85006	0.2
125.02435	0.3
145.02968	0.7
161.02481	1.1
166.76576	0.3
182.02225	0.3
183.02995	0.6
195.98161	0.3
251.11493	0.3
271.06012	0.3
327.07172	0.5
428.48901	0.3
518.79907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
64.42730	0.1
69.39538	1.1
78.76427	0.2
81.81727	0.1
81.93586	0.2
113.40461	0.2
142.05595	0.2
151.00421	0.2
181.15450	0.2
185.06114	0.2
227.03484	5.8
227.05748	0.3
228.03932	0.4
229.05095	0.9
232.81720	0.1
255.02960	9.4
256.03607	1.1
257.04510	0.3
284.03232	10.1
285.03995	8.7
286.04633	0.3
431.09787	15.9
432.10101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63047	0.6
52.56049	0.7
55.40920	0.6
61.98828	10.3
62.40386	0.5
62.96404	0.6
63.75876	0.5
78.95899	46.0
96.96968	6.3
150.50397	0.6
150.98048	1.3
152.99580	100.0
153.99930	0.9
171.00635	4.2
175.75328	0.6
206.17421	0.6
232.14919	0.6
255.03038	0.8
277.21829	1.4
287.10461	0.6
367.41415	0.5
431.09732	1.2
431.21957	29.3
432.22333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.4
60.99300	13.7
61.98827	51.6
71.01382	2.9
71.52778	3.2
74.10788	2.1
78.95905	6.9
88.98804	100.0
89.02435	3.4
93.03436	2.7
114.45847	2.4
125.02453	5.1
126.25126	2.2
135.04568	3.4
137.02409	2.4
145.02922	5.5
149.02386	2.6
152.99554	3.5
161.02493	4.0
177.24332	2.2
183.02936	2.3
184.89624	2.1
256.03284	2.6
263.41956	2.3
285.03748	4.2
329.06479	3.7
425.48380	2.8
432.10077	5.5
495.22275	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	495.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24171	2.1
61.98823	3.7
69.98406	2.0
71.51832	2.0
78.95433	2.4
78.95899	49.1
92.85263	2.2
96.96967	3.0
112.02912	2.2
114.53352	2.7
121.03291	2.1
152.99570	57.6
171.00609	13.8
212.13948	2.6
227.03325	3.4
245.04285	100.0
267.23273	62.7
486.45187	2.3
495.27249	56.2
496.27374	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	493.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40895	1.8
54.77751	1.6
56.82514	2.1
57.03450	2.7
59.01369	2.4
61.98809	4.5
69.67935	1.9
71.50918	2.1
72.99291	1.8
78.77753	2.4
83.01381	4.8
88.98802	6.5
95.04974	2.5
96.95939	1.9
97.02935	6.4
104.07676	1.9
107.01395	3.7
109.02953	24.8
113.02467	2.3
121.03018	2.3
123.04513	17.7
125.02441	22.8
125.40131	1.9
133.02934	2.4
134.57484	2.0
137.02420	10.6
138.03178	2.1
139.00394	2.1
139.04019	3.0
149.02411	4.0
150.03203	1.7
151.00349	14.3
151.04015	18.2
153.01920	8.5
159.04527	2.7
159.92111	2.0
160.05231	2.2
161.06100	5.2
164.01157	4.4
165.01894	4.9
167.03494	3.4
169.01454	15.4
175.03935	2.9
178.99852	1.9
179.03452	7.6
182.02225	3.3
183.02922	5.0
187.03989	4.8
188.04759	4.9
194.02139	1.8
202.06236	2.2
203.06804	9.5
203.08640	2.6
205.05008	6.8
210.01572	3.5
211.02409	5.2
221.08168	4.2
222.01659	2.4
223.02350	2.3
227.07062	3.0
240.02673	2.9
245.08131	16.3
289.07181	100.0
290.07455	5.5
299.01956	2.9
303.05032	6.4
317.02768	7.0
385.07797	2.1
403.08817	9.6
436.46353	2.1
457.07864	3.5
474.25183	1.8
493.11417	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	493.1196
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
58.07307	1.2
59.01364	3.7
67.00594	1.2
68.95847	1.3
69.38816	8.1
71.01369	2.8
79.01901	1.5
83.01389	3.8
88.98800	3.4
96.33898	1.1
99.00861	2.1
101.02402	1.5
109.02958	2.3
111.00864	2.0
123.00922	2.0
123.04535	3.6
125.02471	6.5
135.04489	1.2
137.02417	4.6
138.03201	6.9
139.00311	1.5
139.03976	2.4
141.01938	2.4
149.02397	1.5
149.04584	1.4
150.03235	3.1
151.00374	2.5
151.03983	10.5
152.01067	1.4
153.01988	7.6
165.01889	4.2
166.02669	5.9
167.03496	9.7
169.01422	7.7
170.02182	3.3
175.02461	2.0
175.03903	1.5
177.01900	1.4
178.02583	1.5
179.03448	7.7
181.01372	5.5
182.02219	32.2
183.02979	34.5
193.01366	1.6
194.02179	11.9
195.02936	11.0
196.03732	13.8
197.04535	2.2
203.03499	1.3
205.01460	2.4
206.01944	1.3
207.02960	3.1
209.00890	5.5
210.01682	37.9
211.02463	49.3
212.02777	1.4
221.00854	2.5
222.01672	35.9
223.02466	39.9
224.03270	2.7
234.01642	2.3
235.02396	2.5
240.02730	29.2
241.03448	4.4
252.02838	2.7
253.03259	1.7
269.03036	1.6
294.03894	1.2
303.05090	4.2
331.06644	3.7
345.08261	9.8
373.07736	29.9
385.07703	24.5
403.08765	100.0
404.09140	4.8
415.08902	4.7
433.19687	1.4
446.73532	1.1
457.09195	4.1
475.10867	16.5
493.11926	68.1
494.12360	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	493.1351
Annotation	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
Peak:m/z	Relative Intensity
59.01370	2.8
61.98820	2.4
69.33198	0.6
71.01375	1.8
71.52473	0.9
74.19744	0.6
81.03457	2.3
81.18075	0.5
83.01383	4.9
83.04990	0.6
84.00573	0.6
89.02482	0.8
92.21091	0.6
93.03468	2.8
101.02425	0.9
106.07084	0.6
117.03484	1.0
119.05027	4.1
123.04520	9.5
125.02484	2.8
126.51167	0.5
133.06549	1.1
134.66177	0.5
135.04552	0.7
145.02956	3.5
149.06073	2.6
150.03220	1.0
151.00349	0.9
151.03976	0.6
159.08125	1.0
161.06061	1.8
163.00314	0.8
163.03951	0.6
166.02626	0.6
167.03500	23.0
167.04947	1.2
177.01900	0.9
179.03505	3.3
181.05078	0.9
183.02924	0.8
185.06024	1.1
187.04047	0.8
191.03520	2.8
193.05051	7.6
193.66489	0.5
201.09090	1.2
203.07091	2.8
206.02199	19.4
207.02966	8.2
219.02979	4.5
227.07094	1.3
229.05042	4.6
243.06615	1.3
243.10152	1.0
245.08293	1.2
246.62263	0.6
255.02911	1.2
260.36264	0.5
271.06100	19.4
272.06287	0.9
285.07642	1.5
287.09210	7.5
298.04858	1.2
311.09348	1.1
313.07153	100.0
314.07483	5.4
325.89282	0.6
331.08212	5.6
355.08157	0.7
355.10291	0.7
357.68909	0.6
493.13467	21.9
494.13596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1199
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
53.74387	1.2
55.68484	1.3
56.44637	1.6
59.01371	4.7
68.87987	1.8
70.16766	5.5
71.01373	9.4
78.95914	2.8
83.01392	2.8
85.02991	1.9
88.98810	13.2
89.02431	4.1
95.01382	1.9
96.96011	1.8
96.96942	2.1
99.00851	1.8
107.01347	1.4
109.02919	1.8
109.27841	1.5
111.00899	3.0
113.02472	1.9
115.00375	8.2
121.02956	2.3
123.00864	5.3
124.01605	1.7
125.02459	12.5
132.03041	1.6
133.01413	19.3
137.02451	3.3
138.03236	9.2
139.04004	2.5
141.01945	3.9
151.00394	6.9
151.03989	5.1
153.01889	6.1
165.01945	4.3
166.02695	6.3
166.99852	1.9
167.03526	8.2
168.00601	2.5
169.01410	20.6
170.02133	2.0
179.03406	4.1
181.01459	3.9
182.02202	23.9
183.02979	42.7
184.03139	1.6
193.01480	1.8
194.02174	11.2
195.02989	12.9
196.03751	6.4
197.04333	1.7
205.01384	2.1
207.03017	1.8
209.00899	5.8
210.01683	33.8
211.02467	48.6
221.00870	2.9
222.01685	30.8
223.02457	35.5
235.02513	2.2
240.02736	32.5
241.03539	5.7
241.19684	1.5
252.02763	2.0
269.03012	1.5
271.04480	3.0
289.07040	2.5
331.06671	46.0
331.10428	2.5
332.06924	2.1
345.08328	5.3
369.09772	1.5
373.07544	16.7
380.17883	1.7
385.07748	19.4
403.08792	87.3
404.09055	4.4
413.57397	1.5
415.08746	3.4
475.11111	10.1
493.11960	100.0
494.11972	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	493.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12485	1.1
56.84135	1.0
59.01358	1.9
69.31328	7.3
69.31722	1.6
71.01377	2.0
72.67177	1.0
74.11391	0.9
74.94438	0.9
83.01360	1.3
91.85632	1.1
97.02930	1.5
98.19923	2.5
99.00883	1.5
109.03031	1.8
111.00900	1.3
123.04570	1.5
125.02419	3.2
137.02423	3.7
138.03218	8.1
139.00356	2.0
139.04001	1.4
141.01926	4.6
151.00392	1.9
151.04004	4.7
153.01932	4.3
155.39970	1.1
163.37186	1.1
165.01907	5.6
166.02711	5.9
167.03481	7.3
169.01405	3.3
170.02179	2.0
178.02686	1.2
179.03491	4.0
181.01366	5.2
181.31914	1.2
182.02199	28.5
183.02975	44.5
184.03172	1.6
194.02213	12.1
195.02960	12.6
196.03778	10.0
197.04341	1.8
205.01398	1.5
207.03081	1.6
209.00906	6.7
210.01689	31.7
211.02466	53.0
212.02759	1.3
214.11293	1.2
219.03055	1.1
221.00888	2.8
221.99590	2.0
222.01674	32.1
223.02461	37.4
224.03113	1.9
235.02444	1.5
240.02745	30.5
241.03468	5.9
252.02795	3.1
269.02966	1.3
312.04852	2.3
317.02853	2.1
330.06067	1.2
345.08179	11.9
373.07785	14.9
383.77057	1.4
385.07755	20.4
403.08804	78.8
404.09198	5.7
415.08707	2.7
457.10052	1.5
475.10895	10.4
493.11954	100.0
494.12289	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	493.1197
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
52.99072	1.0
57.42025	0.9
59.01374	1.5
70.62275	1.0
71.01349	1.2
83.01382	4.1
96.83270	1.0
99.00825	2.3
109.02935	2.0
111.00904	1.7
113.02462	1.1
123.04532	1.8
125.02449	3.0
137.02423	3.3
138.03235	7.2
139.03989	2.8
141.01949	2.5
150.03215	2.2
151.00342	2.0
151.04013	7.4
153.01935	5.4
163.03902	1.6
165.01941	5.5
165.99072	1.0
166.02710	7.2
167.03476	7.6
169.01447	2.9
170.02245	2.2
179.03493	4.0
181.01346	4.7
182.02208	34.6
183.02980	46.9
189.36598	0.9
191.03452	1.3
193.01488	2.2
193.05113	1.1
194.02203	14.2
195.02992	10.2
196.03761	10.0
197.04478	1.7
205.01430	1.8
207.03030	1.7
209.00896	6.6
210.01685	32.8
211.02483	55.9
212.02876	1.6
219.02998	0.9
221.00887	1.7
221.04437	1.0
222.01675	32.5
223.02455	41.4
224.02994	2.2
235.02419	2.8
240.02730	30.8
241.03519	5.0
248.40820	1.0
252.02684	2.2
289.07181	3.8
303.07269	1.1
312.04877	3.0
317.02902	1.0
330.05798	1.4
345.08316	11.0
373.07880	13.3
374.07886	1.1
385.07745	18.6
403.08792	77.8
404.09167	5.5
415.08829	3.4
457.10223	1.8
467.20340	1.3
475.10910	11.3
476.11691	1.1
493.11966	100.0
494.12204	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24410	0.7
57.03432	2.5
59.01377	4.9
61.98820	1.0
63.02392	6.4
64.24660	0.8
65.00320	7.0
71.01377	3.9
72.58466	0.8
76.87213	0.8
81.03458	1.6
83.01381	10.2
85.02943	1.3
89.02448	2.2
91.64887	0.8
91.65525	0.7
93.03463	4.1
98.90550	0.7
101.02444	3.0
107.01385	17.2
107.54987	1.0
109.02995	0.9
113.02431	1.2
119.03519	1.5
119.04973	4.7
123.04544	5.7
124.55856	0.8
125.02440	30.5
133.02896	4.3
133.06613	2.0
135.04506	3.1
137.02441	0.9
145.02983	2.0
149.02449	1.9
149.06058	3.1
149.99570	1.2
151.00357	100.0
151.03958	2.2
152.00754	2.3
159.08170	1.7
161.02415	11.0
161.04567	1.3
161.06079	2.9
167.03481	23.7
168.00607	5.6
169.01411	65.4
170.01663	0.9
179.03476	2.6
179.05522	0.9
185.06009	1.3
191.03508	5.8
193.01439	1.1
193.05096	7.1
201.09224	1.3
203.07036	5.7
221.01036	1.4
243.10159	2.7
245.08171	3.2
269.08200	0.9
271.06113	2.2
287.09256	8.7
289.07239	1.1
298.98102	0.8
313.06711	1.4
317.02945	2.3
323.07605	2.9
331.08087	15.9
355.10187	3.2
373.09052	0.8
433.24384	2.4
449.10776	1.6
493.09161	56.9
493.22809	1.9
494.09637	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06842	0.2
57.03453	0.2
57.14313	0.2
59.01381	0.5
61.98848	0.4
63.02402	0.4
69.03455	0.9
70.82213	0.4
71.01386	0.2
79.01897	0.3
81.03514	0.4
83.01392	0.7
89.02402	0.2
95.01403	0.4
97.02949	1.0
99.87513	0.2
107.01393	1.1
110.77253	0.2
111.00883	0.3
113.02448	0.3
123.00827	0.4
123.04483	0.2
124.01676	0.3
124.46133	0.2
125.02444	47.8
126.02763	0.5
131.82106	0.2
133.03008	1.2
135.04530	1.2
137.02475	0.4
139.00331	0.5
146.29033	0.2
151.00360	3.9
161.02435	3.5
165.01894	0.2
166.99846	0.5
167.03441	0.3
168.00650	0.4
169.01414	100.0
170.01753	1.9
178.99892	0.4
179.03481	0.9
182.02234	0.5
183.02872	0.3
185.00742	0.3
192.00529	0.3
193.01381	0.4
204.54272	0.2
210.01619	1.5
211.02554	0.3
221.00914	0.9
251.09166	0.4
271.02502	0.4
287.05505	0.2
313.05994	0.3
317.03033	3.4
331.06686	28.7
332.07129	0.9
345.08139	0.5
347.06030	0.8
347.09943	0.2
373.07672	2.2
401.07251	0.7
457.07645	0.7
493.10001	3.2
494.09875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70480	0.5
59.01380	5.3
61.98827	1.2
65.00326	0.7
69.03455	0.6
69.76858	2.6
71.01379	3.3
72.99306	4.6
73.02939	1.2
81.03451	1.0
83.01392	2.1
84.30798	0.5
85.02953	1.5
88.98795	3.6
89.02438	1.7
91.00346	0.6
95.01396	1.2
97.02942	1.2
98.24104	0.5
99.00865	0.6
101.02435	1.0
103.00394	0.6
105.01884	0.5
107.01393	4.1
109.02950	1.9
111.00877	1.1
113.02444	2.1
115.00398	0.6
121.02944	2.5
123.00908	0.8
123.04514	1.7
124.01694	0.8
125.02445	54.8
126.02808	0.8
133.02942	1.7
135.04536	3.6
137.02448	3.4
139.00372	1.8
141.01923	0.7
149.02451	0.9
151.00377	11.3
151.03986	1.3
153.01945	0.9
156.88708	0.5
161.02431	4.3
163.04010	0.9
163.07750	0.7
166.99846	2.0
167.03502	1.1
168.00621	1.5
169.01416	100.0
170.01736	1.9
172.51312	0.7
175.02412	0.8
175.03967	0.6
178.99832	4.6
179.03445	3.3
182.02223	1.4
183.02969	0.6
190.99727	0.6
193.01414	1.4
193.03516	5.3
194.74507	0.6
194.99426	0.9
199.03944	0.9
201.01964	1.2
203.03500	2.5
206.99303	0.7
208.00166	0.6
210.01692	1.5
211.02390	0.6
211.05943	0.6
217.09077	0.6
221.00845	0.7
221.04532	0.6
227.03490	0.7
231.03009	1.2
233.08083	0.9
251.09209	2.5
255.02983	0.7
271.02448	5.3
287.02087	0.8
289.07272	1.9
299.01855	6.6
313.05859	0.8
317.02988	19.7
318.03192	0.9
331.06693	21.7
332.07123	1.1
373.07712	2.4
395.12909	0.6
401.07208	0.7
413.14795	0.9
431.15652	1.7
433.24548	1.1
493.10226	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	493.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90607	0.7
57.03401	1.1
63.02392	7.2
65.00323	7.8
69.27262	2.8
69.27686	3.8
71.01336	1.0
73.78152	0.7
79.64982	0.8
83.01386	8.7
88.98749	1.3
107.01383	20.8
109.02959	5.0
124.01679	1.1
125.02444	12.7
133.02904	1.3
135.04457	0.9
137.02448	12.6
141.17052	0.8
151.00357	100.0
152.00694	2.4
161.02411	6.6
163.00403	2.2
165.01917	1.1
168.00661	0.9
169.01411	51.8
170.01768	1.7
178.99857	16.7
179.03307	0.9
193.01437	1.0
227.03604	1.2
243.02969	2.1
245.04546	0.9
261.03976	1.1
271.02588	3.3
299.02051	1.8
317.02979	67.3
318.03250	4.9
323.07913	1.3
331.06989	2.7
340.27829	0.8
449.11221	1.0
476.52316	0.8
493.10486	47.7
494.10785	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	491.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77882	3.9
59.01361	6.3
61.98824	8.9
67.43559	5.0
71.52489	5.2
71.52876	4.0
74.09874	3.9
97.61571	4.3
108.09977	3.9
112.19470	5.1
121.02898	5.2
123.35282	4.3
195.13882	4.6
223.13458	5.4
255.94649	4.1
293.21231	100.0
294.21622	6.9
297.80579	4.7
315.01611	4.3
345.07846	6.9
445.74484	4.6
485.24280	4.7
491.24384	7.9
491.70929	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	492.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.35152	15.0
334.09256	2.6
472.10208	2.4
494.06952	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	493.0624
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
50.00893	0.3
57.03416	0.4
59.01376	0.8
63.02393	3.6
64.46167	0.3
65.00318	5.0
71.01384	1.4
71.05924	0.8
77.59987	0.3
81.03451	0.6
82.78349	0.3
83.01384	4.2
85.02962	0.8
88.98827	0.6
107.01392	11.8
109.02951	6.0
113.02457	0.5
125.02439	5.8
125.50302	0.3
133.02896	0.3
135.00890	0.4
137.02440	18.0
151.00368	51.5
152.00702	1.2
155.03491	0.5
161.02443	2.2
163.00378	3.3
164.01146	1.0
165.01894	2.5
169.01414	12.8
171.04564	0.4
175.03935	0.6
178.99855	23.8
183.04376	0.4
185.02467	0.4
189.05557	0.6
190.99860	1.1
192.00613	1.3
193.01407	1.4
193.03442	0.7
199.04012	1.1
203.03526	0.8
215.03487	0.7
227.03392	1.9
242.02185	0.4
243.02921	1.9
245.04572	0.7
255.02969	0.8
261.04044	1.3
271.02490	4.9
272.03085	0.5
287.01880	0.6
299.01962	3.2
300.02597	0.4
316.02240	1.6
317.02994	100.0
318.03342	4.3
331.06644	0.8
409.24701	0.3
493.06119	15.3
493.09888	8.6
494.06891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29832	0.7
54.38954	0.7
57.03425	1.1
59.01378	9.7
60.99303	15.1
61.98818	2.7
71.01381	3.0
71.51875	1.1
72.99295	1.0
83.01389	2.1
85.02934	1.3
87.00866	1.4
88.98801	100.0
89.02437	9.3
93.03437	1.7
99.00876	0.9
101.02432	4.5
103.96564	0.8
105.01920	7.3
111.00845	0.9
113.02448	1.5
119.03469	1.4
119.04993	0.9
123.00897	1.6
125.02398	1.4
133.02927	1.3
135.00871	1.9
135.04453	1.3
137.02420	2.9
139.13893	0.8
145.01416	4.7
151.00371	5.7
152.01093	1.0
153.01884	2.5
155.01790	1.0
161.02477	4.1
161.04604	1.1
163.00444	1.0
165.01958	4.0
167.03474	2.6
178.99825	1.5
179.03487	2.6
181.01457	1.6
182.02200	14.9
183.02971	14.6
185.21944	0.7
193.01349	0.9
195.03036	1.4
195.06586	2.9
207.02959	2.3
211.07431	0.8
215.03455	1.6
217.01463	1.3
217.05038	3.3
222.05357	6.3
223.06027	3.3
234.01662	3.5
235.02412	2.2
243.02916	2.5
244.03706	2.5
245.04474	7.5
248.03033	0.9
249.03745	0.8
259.02512	1.8
269.00705	1.0
271.02457	0.9
285.03986	2.8
285.07306	1.1
285.80563	0.9
286.99658	0.7
287.01944	8.1
287.05521	3.3
311.05569	1.1
315.01440	17.8
316.02087	1.1
323.07690	1.9
324.65881	0.8
328.05917	1.4
329.06580	3.1
345.08246	22.2
385.11252	3.2
394.12915	1.5
397.07492	1.8
401.14273	0.9
407.09918	6.9
428.50992	0.9
429.10260	4.3
449.10950	0.8
451.34708	0.8
455.08057	0.8
491.11392	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	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01374	1.3
61.98819	0.3
65.00316	0.6
69.14748	1.6
69.15160	0.3
71.01376	0.5
81.03443	3.9
83.01390	2.3
87.75047	0.2
88.98786	1.0
89.02424	0.5
90.27633	0.2
91.19540	0.2
91.24216	0.2
93.03426	0.4
94.32753	0.2
95.01382	0.3
95.05031	0.9
98.19865	0.4
101.02409	0.3
102.27993	0.2
107.01403	0.6
109.02969	0.4
119.04977	0.3
121.02947	0.3
123.04521	27.0
124.04845	0.7
125.02437	4.8
130.08739	0.3
134.04662	0.3
135.04539	0.3
149.02423	0.6
149.45683	0.2
151.00352	2.6
153.01935	0.3
161.02443	0.7
163.04001	0.5
165.05540	0.2
167.03487	100.0
168.03804	2.4
175.02525	0.2
179.03522	0.4
181.01486	0.3
182.02219	0.9
183.02896	0.4
191.03470	0.7
209.04604	0.5
217.05077	0.8
219.03038	0.3
234.01649	1.1
235.02518	0.7
243.03101	0.3
244.03755	0.7
245.04559	2.0
283.59891	0.2
285.04062	0.7
287.02020	0.6
287.05658	0.7
315.01462	1.3
328.05878	0.4
329.06750	0.6
397.07770	0.4
407.09735	1.7
438.30447	0.2
491.14014	17.2
492.14532	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	491.1194
Annotation	Burkinabin C
Peak:m/z	Relative Intensity
53.31503	0.4
59.01373	1.3
71.01388	1.1
71.28250	0.8
75.00869	2.0
80.02654	0.4
82.99907	0.4
83.01392	1.5
84.95083	0.4
85.03004	0.5
89.02468	0.4
90.62224	0.4
91.01927	0.5
97.58521	0.4
101.02427	0.7
105.01945	1.6
105.03413	1.0
108.02174	30.2
109.02991	0.4
113.02457	0.6
123.00845	0.4
123.04524	14.2
133.02963	9.7
134.03720	0.5
135.04526	5.9
137.02432	0.9
139.00374	0.8
139.03998	0.6
149.02467	3.6
151.00357	1.0
152.01152	68.7
153.01660	1.5
161.02443	45.8
162.02754	1.0
163.04057	0.6
167.03493	100.0
168.03827	1.9
175.03981	0.7
175.46535	0.4
179.03452	4.3
181.01454	2.8
182.02219	2.1
183.02998	4.0
203.03499	1.2
207.02917	0.6
217.05037	1.6
233.04507	0.6
234.01666	1.8
235.02470	1.5
244.03738	1.0
245.04494	1.8
251.27048	0.5
285.04077	1.0
323.07693	46.9
324.08002	3.0
329.06238	0.9
345.08115	1.1
397.07727	1.1
407.09732	1.6
447.13071	0.9
491.11938	10.7
492.12680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81482	0.3
57.03437	0.2
59.01377	0.5
65.00321	0.3
67.01859	0.2
68.99807	0.3
69.03452	1.1
69.23197	0.2
69.23468	2.3
71.01369	1.2
75.00842	0.3
77.03954	0.7
81.03453	0.7
83.01381	4.9
83.05045	0.3
85.02955	0.6
87.30966	0.2
93.03447	0.8
95.01395	0.8
97.02947	1.7
99.00867	2.9
99.04511	0.5
109.02936	0.8
110.00114	1.3
111.00879	3.7
111.04510	0.5
113.02435	0.6
117.03452	1.9
119.05014	3.1
121.02943	2.1
123.00903	0.6
123.04526	0.8
125.02456	0.5
129.01920	0.3
136.98782	0.4
137.01460	0.5
137.02444	6.0
139.00359	3.2
139.03998	1.2
140.01176	2.5
141.01927	5.1
145.02950	6.8
146.03217	0.4
151.04028	0.9
153.01915	7.3
154.02663	1.0
155.03522	0.8
161.06090	0.4
163.03996	2.6
165.01915	7.4
165.99080	2.7
166.02654	0.3
166.99814	1.6
167.03482	0.9
175.04060	0.2
177.01929	0.6
179.03479	0.5
181.01413	8.9
182.02199	100.0
183.02962	77.2
183.06300	0.4
184.03317	1.9
186.01663	1.7
193.05034	0.3
194.02162	0.6
195.02963	2.2
205.05037	0.5
207.02945	0.9
207.04968	0.5
222.39713	0.2
225.04041	0.5
226.97083	0.3
235.02441	0.3
261.06052	0.5
273.62497	0.3
303.07230	3.7
327.07220	2.8
345.08228	39.8
346.08505	2.3
407.09766	0.5
439.29962	0.3
449.10797	1.1
491.11911	72.2
492.12234	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23316	0.3
57.03445	0.4
59.01394	0.4
69.03469	1.1
69.38046	2.4
71.01376	0.9
74.43131	0.3
77.03964	0.8
81.03457	0.6
83.01383	3.6
85.02977	0.5
93.03468	0.7
95.01373	0.4
95.45684	0.4
97.02937	1.2
99.00883	1.7
101.02501	0.5
108.00935	0.4
108.02197	0.4
109.02928	1.0
110.00089	1.6
111.00877	3.6
113.02421	0.5
117.03429	0.8
119.05018	2.2
121.02933	1.7
123.00851	0.4
123.04501	0.7
125.02451	0.6
129.01912	0.4
137.02437	6.1
139.00395	3.3
139.03966	1.2
140.01166	1.3
141.01947	4.6
145.02963	3.8
151.03941	1.1
153.01906	6.6
154.02576	0.7
155.03477	0.8
163.03986	2.2
164.01030	0.4
165.01912	7.7
165.99060	3.2
166.02647	0.5
166.99811	1.5
167.03484	0.9
177.01942	0.7
181.01413	9.6
182.02196	100.0
183.02962	82.5
184.03349	2.2
186.01654	1.0
193.90326	0.4
194.02081	0.4
195.02998	2.2
200.54684	0.4
205.04953	0.4
207.02895	0.9
261.06372	0.4
303.07196	2.5
327.07233	3.1
329.06693	0.5
329.23706	0.4
345.08231	36.2
346.08563	1.4
359.23895	0.4
364.16000	0.4
449.11002	0.8
491.11914	65.7
492.12335	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97636	0.8
65.00293	0.8
69.03425	1.1
69.77850	1.3
69.78242	1.7
70.52328	0.7
71.01382	1.1
81.03474	1.1
83.01363	3.3
85.02932	0.9
88.48948	0.7
95.01394	1.2
97.02949	0.9
99.00900	1.4
109.02937	4.2
110.00113	0.7
111.00888	3.1
119.05023	19.2
123.04539	1.5
125.02460	1.1
136.98811	3.0
137.02415	5.8
139.00363	2.4
139.03970	2.0
140.01144	1.2
141.01913	3.9
145.02936	1.2
147.13475	0.7
151.03972	0.8
153.01923	37.4
154.02377	0.8
161.02469	0.7
163.03998	17.7
165.01944	6.5
166.02698	1.6
166.99826	0.8
167.03502	5.9
179.03479	1.0
181.01416	70.5
182.02191	65.3
183.02968	65.9
184.03346	1.6
189.23656	0.7
195.02972	1.8
198.04967	0.7
207.03018	3.8
219.07780	0.8
225.04114	1.5
234.01695	1.4
235.02368	1.6
236.03026	0.7
249.04079	1.7
285.06116	1.4
327.07181	100.0
328.07669	4.7
345.08224	77.6
346.08536	2.5
397.07788	0.9
427.72394	0.8
491.12057	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27880	0.5
65.00344	0.5
65.59199	0.5
66.39513	0.4
69.03436	0.6
69.16000	3.5
69.16402	1.5
71.01383	0.8
83.01397	2.3
97.02948	0.6
98.19923	1.0
99.00890	0.9
109.02969	1.5
111.00875	1.5
115.66925	0.5
119.05023	4.9
120.08830	0.6
121.02991	0.8
125.02451	0.7
135.31461	0.5
136.98811	1.3
137.02461	3.1
139.00385	1.3
139.03972	0.5
140.01166	0.9
141.01926	2.6
143.70438	0.5
151.04010	1.4
153.01949	11.7
154.00890	0.6
155.03517	0.5
163.04002	2.6
165.01884	4.2
165.99074	1.3
166.99878	1.0
177.00494	0.5
181.01425	15.1
182.02211	67.1
183.02972	65.6
184.03313	1.5
186.01712	0.5
195.02953	1.5
207.02977	1.1
225.03952	0.9
249.03873	0.7
303.07245	0.8
327.07184	15.2
345.08243	100.0
346.08627	4.1
491.11884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82826	0.3
59.01360	0.9
67.86747	0.3
70.37527	0.7
71.01366	0.7
75.00849	0.3
81.03470	0.3
83.01363	2.1
85.02917	0.5
85.06596	0.5
98.96046	0.3
101.02483	0.3
111.68356	0.3
113.02451	0.5
124.20280	0.3
125.02454	0.4
137.02464	0.7
138.03188	1.9
141.01933	2.2
149.09735	0.5
150.03233	1.2
152.01108	0.6
153.01917	5.8
161.09769	0.5
163.04005	2.4
164.04784	0.7
165.01900	3.9
165.05382	0.3
166.02713	3.5
167.03468	0.4
170.02235	0.5
177.05583	0.7
177.09041	0.4
178.02707	1.4
179.03453	3.9
181.05057	2.7
181.08784	0.4
182.06897	0.3
183.02951	0.4
191.03490	2.7
191.07140	0.5
192.04211	1.1
193.08681	0.9
205.05042	6.4
206.09459	1.5
207.02989	5.5
208.03679	1.1
209.04543	9.6
217.08696	1.0
219.02977	0.4
219.06622	0.9
219.10242	1.3
221.04480	0.3
233.04546	13.2
233.08057	3.1
234.05046	0.4
234.08937	1.5
235.09731	26.2
236.06767	0.4
236.10060	0.9
237.07596	0.8
237.11325	0.6
245.08229	0.4
247.09782	0.6
251.09238	5.0
257.08337	0.7
261.07672	2.0
262.08444	30.3
263.09201	26.9
264.09784	2.0
265.10779	0.9
267.12265	2.0
275.09210	0.8
279.08707	39.6
280.09091	2.0
294.11093	12.4
295.11783	4.3
407.13367	0.7
425.14508	29.3
426.14810	2.1
457.17123	100.0
458.17487	7.0
489.20187	0.7
504.10178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.1
61.98833	6.1
70.33927	5.9
70.34280	8.0
78.95880	3.9
92.93870	3.1
110.75674	2.7
114.30042	2.8
128.03540	4.5
134.04701	4.3
146.21529	2.9
165.12834	13.2
179.03453	3.1
197.02167	5.1
247.20564	7.6
273.18481	4.9
291.19635	100.0
292.19901	5.9
396.82098	3.2
457.17068	4.8
489.22693	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	489.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99325	1.8
59.01377	100.0
61.98831	2.3
69.88754	1.4
71.51406	1.7
71.51812	1.7
101.96789	1.5
105.47739	1.7
124.92884	1.9
260.06229	1.9
304.19040	1.5
355.32306	3.5
381.08075	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	491.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88734	1.1
59.01353	1.3
67.68632	1.2
70.14012	1.0
71.01379	3.8
71.27666	1.6
71.28001	1.6
72.99286	1.5
78.75833	1.3
82.59692	1.2
83.01375	4.4
87.00866	2.6
97.02932	1.4
97.57318	1.1
99.00875	1.7
105.01906	5.8
107.01386	2.4
109.02973	1.9
111.00861	2.3
115.00376	1.6
124.01647	3.9
125.02510	2.1
137.02441	3.7
138.03201	4.2
139.00362	1.6
139.03995	1.7
141.01930	5.1
145.01425	3.8
151.03989	2.3
152.01152	13.9
153.01923	6.1
165.01974	7.9
165.99055	2.7
166.02644	6.0
167.03476	8.0
175.02576	1.5
177.01869	1.3
180.00635	1.6
181.01418	6.9
182.02194	69.2
183.02968	59.8
184.03287	1.4
193.01421	1.9
194.02165	6.5
195.02991	8.8
196.03705	1.5
207.03006	1.3
207.98232	2.0
208.00116	26.6
209.00912	15.2
210.01686	37.3
211.02434	14.3
221.00905	6.3
222.01659	21.0
223.02499	16.0
235.02484	2.6
237.00488	3.5
238.01193	2.0
239.02037	2.3
240.02750	6.1
241.03537	1.4
250.01091	3.1
251.01959	5.4
263.01929	1.3
264.35632	1.1
267.01657	2.4
280.10748	1.2
310.03299	1.9
311.04050	1.5
345.08264	31.5
357.08258	1.5
371.06131	60.2
372.06387	1.7
373.07645	8.2
374.08817	1.1
385.07809	13.5
389.07037	1.5
401.07208	22.7
402.07663	2.1
403.08725	10.7
418.45309	1.2
431.08347	6.9
443.08383	7.3
445.09583	1.7
453.02545	1.3
455.08496	1.9
473.09457	5.7
491.10410	100.0
492.10962	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.1
61.70475	0.4
62.82022	0.3
68.20953	0.4
69.55700	2.4
71.01365	0.5
78.21206	0.3
83.01370	1.9
85.06599	0.6
93.35577	0.4
99.12984	0.3
100.58012	0.3
111.00855	0.4
121.06636	0.4
124.01561	0.4
137.02434	0.9
138.03230	1.4
141.01923	2.0
149.09602	0.4
150.03217	1.3
153.01923	5.4
163.03973	3.0
164.04745	0.5
165.01898	5.0
165.05463	0.5
166.02687	2.6
170.02132	0.8
176.04773	0.4
177.05582	0.7
178.02686	1.2
179.03488	5.1
181.05098	3.0
183.03006	0.7
190.02699	0.5
191.03467	3.3
191.07158	0.4
192.04247	1.5
193.08684	0.7
194.02193	0.6
195.06627	0.5
203.03455	0.4
205.05061	5.0
205.08644	0.7
206.09433	1.5
207.02992	5.9
207.04901	0.5
207.10315	0.5
208.03798	0.8
209.04543	7.8
217.08691	1.2
219.02773	0.5
219.06664	0.9
219.10184	0.6
221.04501	0.4
221.08162	0.6
232.00784	0.3
233.04530	13.1
233.08054	2.3
234.04929	0.6
234.08969	2.4
235.09731	25.0
236.10121	1.2
237.07552	0.7
242.78244	0.4
245.08253	0.6
247.09683	0.6
251.09193	6.0
257.08093	0.6
261.07620	1.9
262.08432	30.8
263.09195	29.3
264.09802	1.9
265.10745	0.9
267.12338	2.4
275.09311	1.1
279.08713	41.8
280.09079	1.6
294.11090	11.9
295.11810	4.5
336.57211	0.4
343.49875	0.3
407.13260	0.6
425.14505	29.0
426.14645	1.7
457.17123	100.0
458.17422	5.2
489.19598	0.7
491.29953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39806	0.4
59.01362	2.7
60.26421	0.5
61.98830	3.2
62.16943	0.4
62.59276	0.4
63.91357	0.5
68.99570	84.5
69.60114	2.5
69.60529	1.0
71.01379	1.1
74.02445	0.5
83.01393	0.7
83.13406	0.4
83.82082	0.5
85.02961	0.6
89.02421	0.5
99.05638	0.6
100.27876	0.5
101.02525	0.6
112.98565	100.0
113.02444	0.9
113.98897	0.6
115.00346	0.6
117.03436	0.7
119.05036	0.7
120.99668	2.9
128.03558	1.3
143.04616	1.8
145.02945	2.4
161.02441	1.2
163.03951	1.2
171.10318	0.6
172.96681	1.0
181.01495	0.8
182.02173	0.7
183.02948	1.0
194.96194	0.8
209.11830	1.8
210.08844	0.6
211.13387	0.8
225.11244	1.2
227.13036	0.6
233.00769	0.6
267.16074	1.0
272.08759	0.6
274.99927	1.8
306.07626	1.7
311.19052	0.5
316.71442	0.5
326.13379	0.5
327.21878	0.9
343.78717	0.5
345.08478	1.1
489.16040	0.7
489.27145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
60.88910	1.1
69.33287	2.4
69.33688	8.2
71.01391	1.9
79.95894	1.1
83.22836	1.1
89.02442	2.1
91.05532	35.1
92.05862	1.8
93.03458	3.2
93.35712	1.1
100.53027	1.2
101.02458	1.2
106.85503	1.0
113.02450	2.0
117.03461	6.0
119.05019	19.2
135.04521	5.8
135.44006	1.1
138.14331	1.2
143.05040	1.5
145.02956	40.1
153.01897	2.7
161.05936	1.4
161.65970	1.1
163.04007	100.0
164.04330	1.7
165.01927	1.1
179.03488	6.7
184.77139	1.2
187.03946	2.6
207.02994	4.6
211.07655	5.2
223.07677	10.3
233.04597	3.2
233.33348	1.5
237.09250	4.4
239.10861	2.2
265.66974	1.2
283.09763	3.2
309.09918	13.9
325.05365	1.7
325.09116	12.0
326.09592	1.3
327.08771	9.7
355.61365	1.1
369.09689	4.2
489.14337	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	489.1405
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
55.06823	0.7
57.03436	0.6
59.01381	10.0
61.98829	1.5
69.47596	0.6
69.60867	2.6
69.61271	1.6
71.01382	9.5
73.02958	1.0
75.00863	1.9
83.01376	2.2
85.02946	1.9
87.00878	0.9
89.02435	9.4
93.03459	31.6
95.01359	0.9
96.00896	0.8
96.99294	3.9
99.00890	1.1
101.02441	4.2
103.00367	1.7
103.94008	0.7
105.46081	0.7
106.04211	1.0
109.02938	0.9
110.46964	0.8
113.02444	4.4
117.03452	2.8
119.03533	2.2
119.05025	17.4
121.02949	1.4
123.04565	3.5
125.02430	1.1
130.04221	2.3
130.89426	0.7
131.03436	0.8
131.05019	7.4
133.02948	4.7
135.04536	1.2
137.02483	1.1
143.05032	20.3
145.02945	9.5
145.06572	4.3
147.04518	1.3
155.24759	0.7
158.03709	1.4
159.04532	4.6
161.04604	1.3
163.04002	12.4
165.01938	0.8
167.03360	0.7
171.04567	3.9
179.05560	1.9
182.02182	2.5
183.02847	2.8
184.03342	0.8
189.05530	2.0
193.04984	0.9
195.08224	0.8
197.00922	0.9
210.06903	3.7
210.08710	0.8
211.07639	42.1
212.08014	1.9
219.08203	1.6
221.09714	1.9
222.06882	1.9
223.05740	0.8
223.07654	4.5
235.07693	4.4
236.67192	0.8
237.09200	11.9
237.11383	1.3
239.10783	9.4
247.07782	0.8
250.06392	0.8
253.08719	1.5
263.07278	1.2
264.08136	1.5
265.08707	38.8
266.09042	1.4
267.15891	0.9
277.07022	1.0
283.09595	5.0
295.09811	0.9
307.09738	2.4
309.07645	11.3
325.10162	3.3
327.08725	100.0
328.09091	4.8
345.08286	1.9
346.08429	4.9
369.09747	7.7
387.49719	0.8
399.10925	1.1
429.11963	1.7
457.13281	4.3
489.14264	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	489.1034
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01376	2.1
61.98824	1.1
63.02401	0.4
65.00327	0.6
69.57140	1.7
83.01388	0.5
91.18113	0.2
92.41545	0.3
93.03441	1.5
96.96016	0.4
98.19963	0.6
104.95419	0.3
107.01402	2.4
109.02922	1.0
109.50558	0.3
117.03448	0.5
119.05088	0.6
125.02408	0.4
132.02142	1.4
133.02965	0.6
135.00900	2.0
135.04446	0.4
140.65192	0.3
143.05023	0.7
145.02936	1.0
151.00383	2.0
153.01933	0.7
157.06552	0.6
159.04434	1.4
161.02431	1.7
163.00342	2.4
163.04057	0.3
164.01108	1.0
165.01869	0.6
167.05009	0.6
169.06577	0.6
171.04483	0.8
173.02400	0.3
182.02232	0.4
183.02942	0.3
183.04532	1.1
185.02473	0.6
185.06070	1.8
187.03999	2.4
189.05533	0.6
191.03531	0.3
195.04518	0.7
197.06039	0.8
199.04001	1.3
200.04695	0.4
201.05579	0.5
211.03963	3.0
213.05482	1.1
215.03517	0.5
227.03471	31.6
228.03850	1.7
229.05037	8.6
239.03548	1.9
240.04140	0.8
241.04988	1.1
243.03044	0.4
255.02960	64.3
256.03561	5.2
257.04535	5.0
267.02963	0.8
267.16025	1.1
283.02386	0.8
284.03238	83.0
285.03998	100.0
286.04410	4.5
327.05048	0.8
447.09265	0.3
489.10321	50.0
490.10699	3.5
504.38980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20438	0.5
59.01372	1.4
71.01400	0.7
71.72171	0.6
74.02475	1.1
84.04543	1.4
85.02944	0.6
102.05605	35.8
127.05125	2.0
128.03539	27.8
128.05481	0.9
129.03893	0.9
145.06194	11.4
146.04591	100.0
146.06516	3.1
147.04924	1.3
148.48778	0.6
230.89229	0.7
232.02423	0.6
331.92355	0.5
341.10953	1.6
349.87729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04969	0.7
59.01377	1.2
61.98830	100.0
78.95898	1.7
89.02484	0.7
91.04033	0.6
95.56178	0.7
115.54741	0.6
152.99631	1.6
229.27501	0.8
237.90627	0.7
253.21736	3.4
345.71341	0.7
432.35413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25089	3.8
59.45844	3.5
61.98812	9.1
71.52467	4.4
78.95898	4.1
83.77148	3.3
123.59151	3.2
163.03970	4.6
165.01967	6.0
166.02460	4.2
191.30525	4.0
205.05005	13.9
223.69652	3.7
233.04483	18.9
234.93808	4.0
235.09639	12.1
262.08459	50.2
263.09204	23.7
425.14481	100.0
426.14932	6.2
512.26874	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	488.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
63.78013	0.7
69.33474	7.0
78.72980	0.8
82.90392	0.9
84.04530	1.2
84.78124	0.9
88.04742	0.8
88.67389	0.9
100.84709	1.0
101.02438	1.2
102.05602	36.7
127.05080	2.0
128.02589	1.6
128.03537	27.3
138.12674	0.9
145.01367	1.0
145.06194	8.1
146.04587	100.0
146.06493	4.5
146.08257	2.7
147.04938	2.4
239.48190	0.9
341.10880	1.5
342.70172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20088	2.1
58.83022	2.2
59.01386	4.8
61.98822	7.1
71.08701	2.3
71.09055	2.2
78.95894	2.8
83.01350	2.6
162.61607	2.4
163.04008	4.8
165.01904	7.4
191.03493	5.3
205.05038	11.9
206.09427	3.9
207.03004	5.0
233.04514	28.9
235.09756	15.2
262.08438	55.1
263.09195	26.8
404.16846	2.2
425.14523	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	488.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77332	4.6
61.98834	40.5
69.33002	38.7
70.95616	4.3
98.20695	10.6
99.54756	4.2
100.99477	4.3
119.85933	4.6
128.03574	7.3
139.31732	4.8
143.04608	11.4
163.04068	6.7
165.01857	6.0
191.03461	8.4
205.05023	13.0
233.04526	28.2
235.09776	20.7
262.08432	60.3
263.09177	36.9
267.07520	7.1
272.08765	5.0
303.46991	5.1
306.07642	18.5
308.29761	5.1
317.54044	4.7
322.25293	5.5
346.34109	5.2
347.60406	4.5
381.03671	5.2
412.20267	5.5
425.14511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10885	0.4
56.00069	0.4
59.01389	2.6
60.37740	0.4
61.98825	4.7
69.03448	1.1
69.19096	1.1
69.19519	3.0
71.01382	1.5
74.02473	0.5
77.03944	1.0
77.06864	0.5
83.01381	1.9
83.05039	0.5
85.02946	1.2
88.81161	0.5
89.75579	0.4
93.03419	0.7
94.17397	0.4
95.01380	0.5
97.02953	1.4
99.00866	1.4
109.02950	0.7
110.00075	1.2
111.00880	3.1
111.04486	0.7
113.02467	0.5
119.05038	0.6
121.02949	1.8
128.03568	0.6
135.04457	0.6
136.98833	0.8
137.02437	5.6
139.00395	3.1
139.04013	1.2
140.01175	1.1
141.01930	3.2
143.04605	0.6
151.04002	1.3
153.01953	4.3
159.10281	2.1
161.02400	0.9
163.03996	0.9
165.01906	7.2
165.99052	2.7
166.02702	0.6
166.99846	1.9
167.03474	1.0
177.01961	0.5
179.03595	0.9
181.01414	8.2
182.02190	100.0
183.02956	83.2
184.03287	2.2
193.05153	0.5
194.02173	0.5
195.02913	2.0
207.03001	0.5
211.28981	0.4
225.04007	1.0
226.10153	0.5
228.95123	0.5
245.08163	1.1
253.90865	0.5
276.68469	0.5
323.07834	0.6
327.07159	1.3
345.08228	0.7
371.24298	1.7
487.18161	87.5
488.18491	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	487.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91771	0.5
60.04061	0.5
69.52505	1.4
69.52936	1.8
71.01382	1.2
80.97534	0.5
90.46553	0.5
93.03422	0.9
101.02441	0.7
105.03451	0.7
105.65626	0.5
106.15656	0.5
108.08382	0.5
113.02450	1.0
117.03464	1.6
119.05020	55.1
120.05357	1.4
121.02982	0.5
123.60216	0.5
132.02144	0.7
133.01923	0.9
133.02950	25.8
134.03740	2.6
135.04521	29.7
136.04825	0.9
137.02437	0.7
145.02943	4.2
147.04506	0.5
149.06073	0.8
161.02429	100.0
162.02792	2.6
163.03996	70.9
164.04288	2.3
175.04013	1.5
177.05568	0.9
179.03484	33.3
180.03841	0.6
187.04048	2.0
203.03523	4.4
218.50191	0.5
237.70322	0.5
307.08493	0.6
323.07678	71.8
324.08041	4.6
325.09161	0.8
341.08640	2.2
412.01520	0.6
487.12433	13.7
488.12714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37184	0.4
61.51271	0.4
63.95231	0.4
69.80425	0.7
69.80824	1.4
71.01393	0.9
71.54572	0.4
85.02951	0.9
93.03458	1.0
101.02403	0.7
105.03404	0.4
106.20531	0.4
109.02984	0.4
113.02429	0.5
117.03455	1.0
118.53690	0.4
119.05023	100.0
120.05349	2.4
121.02851	0.5
133.02953	20.4
134.03711	1.7
135.04518	15.0
136.04807	0.4
137.02464	0.9
145.02971	2.0
161.02435	98.6
162.02748	2.9
163.04001	95.2
164.04338	2.8
175.04001	1.9
177.05595	0.7
178.02682	0.6
179.03491	13.1
203.03506	6.2
221.04588	0.6
243.74605	0.4
323.07681	72.6
324.08154	3.2
341.08701	1.5
487.12482	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	487.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98833	0.5
62.20108	0.2
69.55884	0.4
69.56281	1.1
71.01387	0.8
75.77098	0.2
84.30511	0.3
85.02975	0.3
89.02454	0.3
93.03475	0.7
97.28665	0.2
101.02455	0.3
109.02914	0.3
113.02391	0.4
117.03428	0.3
117.93190	0.2
119.05025	100.0
120.05363	2.3
122.96125	0.2
133.02951	5.6
135.04526	3.3
137.03430	0.2
145.02960	0.7
161.02434	19.3
162.02780	0.7
163.04004	90.4
164.04326	2.5
175.03979	0.4
178.85072	0.2
179.03497	2.3
203.03464	0.7
209.11882	0.2
217.01505	0.4
227.07150	0.9
236.28856	0.3
265.14542	0.4
271.05960	0.3
323.07681	17.3
324.08069	0.5
349.35944	0.3
357.06165	0.4
394.95871	0.2
451.10556	0.7
487.12424	6.7
487.19232	0.5
488.12549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11249	0.8
66.25672	0.6
88.04038	53.5
96.96005	1.3
126.32404	0.7
139.21675	0.7
147.08131	2.0
149.09735	1.2
156.64319	0.7
161.09715	0.8
163.11288	3.0
187.11241	2.3
233.67215	0.7
280.14667	1.2
309.22235	1.5
337.21710	100.0
338.22031	5.6
486.26965	17.8
487.27344	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	487.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76751	0.9
55.97503	0.8
57.03437	0.9
65.00327	19.8
66.93147	0.8
70.16797	4.0
73.83275	0.7
74.31990	0.8
77.52592	0.9
81.03452	6.6
83.01376	14.6
91.82779	0.8
95.01393	0.9
97.02946	3.3
109.02953	11.6
111.00885	7.2
119.05028	3.5
121.02917	1.0
123.04545	4.7
125.02428	8.6
135.00870	4.2
135.04520	1.7
136.98807	19.9
137.02428	5.5
139.03989	1.2
145.02995	2.8
149.02434	3.5
151.04008	4.4
153.01936	100.0
154.02260	2.0
161.02449	2.2
161.06035	2.5
163.04027	3.8
164.01195	1.2
165.01952	2.4
167.03500	1.5
169.49643	0.9
172.59352	0.9
175.04002	1.6
179.03465	3.3
187.03963	2.3
197.00911	26.7
202.06375	1.8
203.07140	5.6
205.05035	6.2
221.08177	1.4
227.07158	1.0
245.08180	11.7
247.06122	1.0
247.32849	0.9
273.77869	1.0
289.07178	71.3
290.07550	2.8
361.67380	1.0
369.46780	1.0
408.91519	1.2
451.12332	9.2
487.14603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14523	0.3
57.03444	5.0
58.00397	0.3
58.68838	0.4
59.01370	2.3
61.98827	28.1
66.85241	0.4
66.99682	0.3
68.99832	0.4
69.03454	1.0
69.59580	2.1
71.01380	1.3
73.02968	0.4
74.92199	0.3
76.26763	0.3
79.01896	0.5
81.03455	0.9
81.88671	0.3
83.01390	1.0
85.02930	0.6
86.47624	0.4
87.00903	0.4
89.02452	1.2
90.02741	0.3
93.03475	0.9
95.01390	0.9
97.02949	1.4
98.20574	0.5
101.02440	1.1
107.01398	1.1
109.02963	1.2
111.00940	0.5
113.02463	0.6
117.03489	0.8
119.05019	1.1
120.02184	0.4
121.02937	1.9
123.00890	1.2
124.01664	0.9
125.02439	100.0
126.02773	1.5
133.02913	0.9
135.04559	0.7
137.02443	3.9
139.04054	0.5
143.04886	0.4
145.02908	1.7
149.02414	2.8
153.01936	0.3
161.02437	2.2
163.00337	0.7
163.03989	1.3
164.01129	1.5
165.01913	4.7
166.02664	1.1
167.03479	5.5
169.01410	86.8
170.01759	1.8
170.03717	0.4
170.09079	0.3
175.03978	4.4
177.01917	33.6
178.02318	0.8
179.03482	1.1
183.80771	0.4
185.06091	0.5
195.04588	0.5
197.04486	2.2
198.03201	0.5
199.04004	1.7
215.03447	0.4
217.05029	1.9
227.07204	0.5
229.04924	0.4
241.05086	2.1
243.02940	0.7
285.04019	5.3
303.05054	12.4
304.05496	0.6
317.06546	1.3
319.04535	4.5
323.07635	0.8
329.02914	2.8
335.07736	3.8
371.08218	0.5
487.08383	1.6
487.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97701	0.6
59.01379	36.9
60.78402	0.6
61.98829	6.1
71.01378	4.7
83.01390	1.4
83.05074	0.8
85.02949	1.4
87.03542	0.5
89.02449	4.1
90.77080	0.5
95.01376	1.4
96.95976	0.8
97.02943	0.8
99.00916	0.7
101.02447	3.8
107.05019	1.1
109.02932	1.4
109.06616	0.7
111.04518	0.9
113.02438	3.9
119.03500	2.4
119.04988	0.7
121.06608	0.6
125.02443	2.0
125.06091	2.2
131.64368	0.7
135.04497	1.6
135.08073	0.9
136.05296	2.6
139.00400	0.5
139.07616	1.0
141.01936	0.8
145.02913	0.9
151.00380	2.9
151.04027	0.7
151.07666	2.7
152.08395	1.3
153.01964	0.9
153.09315	0.6
161.02426	1.0
161.04530	1.1
163.07619	1.1
165.09148	0.6
169.01387	1.3
175.02419	0.7
179.05624	0.6
181.01450	1.0
182.02121	1.3
183.02934	0.8
185.09760	1.2
186.10498	0.6
189.05579	0.7
189.09200	1.7
201.12837	7.5
202.13142	0.7
203.03462	1.1
203.10815	5.2
204.11536	18.8
205.04933	0.6
214.94174	0.5
219.13895	19.2
220.14441	0.6
228.08023	0.6
234.01796	0.9
243.13927	0.9
245.04550	0.6
245.11804	3.1
255.03174	0.6
259.13535	0.7
259.38474	0.6
260.03250	1.1
263.12866	100.0
264.13263	3.8
271.02557	0.8
271.06155	0.8
285.03964	1.4
287.13000	4.0
288.13354	0.6
300.02673	0.9
301.03198	0.8
305.14069	4.6
309.12061	0.7
323.07736	0.8
345.08215	0.7
423.09229	1.0
425.17856	0.6
445.33304	0.6
463.08740	0.9
485.16293	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	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	8.2
59.01377	1.5
61.98828	8.4
64.56130	0.9
71.00571	1.9
72.00910	1.7
74.02469	18.6
81.04561	1.2
82.02982	1.2
82.15580	0.8
84.04579	0.9
86.02463	8.3
86.06124	1.6
86.99109	1.9
87.05645	4.9
88.04039	1.0
90.00180	1.2
97.04077	1.9
99.05640	18.3
101.07206	3.0
102.05607	2.8
102.09523	0.9
109.04086	2.7
111.05682	1.5
112.04045	1.0
113.03560	1.0
113.75563	1.1
116.01759	1.0
120.01218	1.6
123.05679	2.4
123.08091	1.3
124.04021	1.1
125.03563	2.6
127.05116	3.7
128.03532	47.4
135.05640	3.8
137.07127	1.3
141.06732	4.5
143.04617	64.9
144.04913	1.8
145.06183	3.3
146.04597	5.7
153.06691	4.8
160.00739	19.4
166.09825	2.8
167.04643	4.9
167.08289	2.7
174.01788	1.2
177.03372	6.5
179.04613	14.0
181.06158	1.6
182.02174	1.3
185.05684	4.1
192.07770	1.5
197.05597	2.2
210.08832	13.0
228.09894	1.4
232.99568	1.0
242.07866	2.5
254.07802	22.5
272.08862	32.4
288.06586	12.7
306.07632	100.0
307.07889	4.1
446.99194	1.2
484.21533	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	485.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25973	1.0
59.01377	15.6
61.98824	2.1
63.93599	1.1
71.01377	11.8
71.51531	1.1
71.51913	1.3
72.99303	1.9
73.02925	2.1
83.01385	10.6
85.02946	4.6
87.00833	1.7
89.02440	9.4
89.97776	1.1
93.03461	10.7
95.01317	2.5
95.20699	1.1
96.96001	3.2
97.02956	1.1
99.00888	1.5
101.02441	8.7
109.02960	1.5
111.00876	6.3
113.02435	4.6
113.03545	1.0
117.03446	3.3
119.03468	4.0
119.05026	18.5
123.04471	1.5
125.02422	3.6
130.04250	1.5
131.04990	4.0
133.02907	4.0
133.06563	11.5
135.04506	2.4
137.02368	1.6
141.01881	1.8
143.03546	1.4
143.04953	2.6
145.02940	5.6
145.06555	4.1
147.04510	16.9
149.06070	10.7
157.06635	1.3
159.02983	1.1
159.04480	2.5
159.06642	1.9
161.02443	2.8
161.04564	3.3
161.06058	7.2
163.03995	2.0
165.05539	3.2
167.03487	4.4
169.06528	3.1
171.04459	2.6
171.08118	2.9
172.05264	1.7
173.06044	3.8
175.03941	2.0
177.05542	25.3
179.05464	1.6
181.93845	1.1
182.02159	2.0
183.02937	2.0
184.05237	1.8
187.03920	2.2
187.07600	4.0
189.05556	28.0
193.05035	6.0
199.04024	1.2
199.07654	9.4
200.04648	1.4
201.05560	2.6
205.05083	7.8
207.02979	1.9
213.05513	2.6
217.08670	14.8
219.06589	3.1
221.04530	100.0
222.04878	4.1
225.05519	4.0
231.06578	2.5
235.02458	4.2
243.06596	29.0
244.06865	1.9
255.47699	1.0
259.05984	4.1
261.07526	5.4
263.05582	5.3
279.08731	3.9
287.05487	7.9
295.09988	1.1
305.06747	9.0
306.07089	1.4
323.07578	3.5
334.52133	1.2
345.08167	3.3
411.12866	1.8
423.13025	2.4
441.14386	27.4
442.14124	1.5
459.22128	1.2
485.12875	38.1
486.13135	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	485.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26766	0.6
51.49744	0.6
52.46900	0.7
55.01865	1.2
57.03447	1.0
59.01117	1.2
59.01380	17.5
68.21117	0.7
71.01379	20.6
71.52865	0.9
72.99297	1.2
73.02939	6.3
73.31406	0.8
78.56961	0.6
78.95888	0.9
83.01381	1.8
83.68626	0.8
85.02941	5.3
86.00076	1.3
87.00878	4.7
89.02442	9.2
95.01360	1.4
96.39828	0.8
96.96012	7.4
96.96961	1.0
98.95589	1.4
99.00846	2.6
101.02437	14.2
113.02446	7.9
115.92095	1.2
119.03500	3.4
125.02413	2.2
131.03496	4.9
133.16452	0.6
135.04550	1.0
143.03462	1.2
145.06116	0.9
145.07693	1.3
151.36882	0.8
152.76482	0.7
159.02965	1.3
160.06419	5.4
161.02504	1.4
161.04544	6.6
161.07193	50.5
162.07526	1.9
175.08760	20.7
185.30714	0.7
187.08713	3.3
189.06688	80.7
190.06981	2.3
203.08250	19.0
203.11792	0.6
221.06647	6.0
229.09831	2.2
279.08618	1.4
287.05762	0.8
305.11429	9.9
323.12402	2.3
370.07919	1.1
457.18625	0.9
467.16724	2.0
485.17728	100.0
486.17978	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	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	8.2
59.01355	0.7
61.98827	7.2
66.03474	1.5
68.52263	0.6
69.45448	4.3
70.02986	0.9
72.00917	0.8
74.02467	19.8
81.04564	2.1
82.02992	2.1
84.04533	1.1
86.02466	8.2
86.06093	1.2
86.99100	2.0
87.05623	4.9
90.00168	1.5
91.48264	0.7
97.04066	2.2
98.19863	1.3
99.05632	17.0
101.07191	2.6
102.05598	3.3
107.06131	1.0
109.04050	2.9
109.07702	1.3
111.05627	1.5
112.04054	2.8
112.10994	0.6
113.03568	1.1
113.07196	1.0
116.01761	1.1
120.01201	0.9
123.05654	1.9
123.08120	1.4
124.04025	1.2
124.88788	0.6
125.03564	2.2
126.01962	0.9
127.05149	3.9
128.03532	48.1
129.43823	0.8
129.99648	0.9
131.04666	1.0
135.05635	4.0
141.06685	5.5
143.04614	68.5
144.04944	0.9
145.06158	2.9
146.04611	7.0
149.07173	1.1
153.06667	4.0
160.00729	20.9
166.09814	2.5
167.04608	4.6
167.08279	2.2
170.03310	0.8
171.04128	0.9
171.07732	1.0
171.26875	0.6
177.03369	7.1
179.04607	15.4
181.06239	1.3
184.10907	1.1
185.05669	2.3
192.07764	1.4
197.05684	2.9
198.08784	1.4
210.08813	13.0
213.03430	1.0
231.24416	0.7
242.07797	1.6
254.07799	24.4
272.08856	39.1
273.09164	1.5
288.06537	12.6
290.54999	0.8
306.07629	100.0
307.07794	2.9
401.99164	0.8
424.22632	1.4
484.21033	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	484.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78771	0.3
58.02995	0.3
59.01365	1.7
61.98828	100.0
71.01391	1.0
71.52528	0.5
83.01393	0.5
85.02951	0.6
87.00893	0.4
88.98846	0.4
89.58752	0.3
90.42378	0.4
96.96028	1.2
96.96999	0.4
98.45715	0.4
99.65597	0.3
101.02480	0.5
113.02451	0.6
125.02448	0.9
135.04535	1.1
143.04630	0.7
151.00343	0.5
153.01964	1.1
161.02461	1.4
165.01924	0.5
167.03528	1.6
181.01477	1.0
182.02214	2.1
183.02934	1.4
190.79024	0.4
196.06190	0.5
217.51137	0.4
271.02444	0.7
278.16959	0.7
279.92035	0.4
285.04007	2.3
300.02686	0.9
301.03397	1.7
302.04022	0.9
306.07767	1.2
306.68591	0.4
311.40009	0.4
327.07422	0.9
334.18298	0.3
345.08444	0.8
424.22729	2.3
447.09476	1.2
448.09549	3.1
484.22742	1.5
507.11945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22206	1.1
61.25427	1.2
66.80230	1.0
69.25604	10.2
69.25945	1.5
70.80735	1.2
81.97811	1.0
89.73457	1.0
103.25726	1.1
107.01395	2.9
151.00323	13.5
163.00354	2.6
178.99873	6.0
184.59946	1.5
227.03406	2.5
229.05000	1.2
229.85448	1.2
243.02985	4.8
245.04565	2.1
255.02910	19.1
271.02466	37.1
273.03851	1.5
283.02319	1.7
300.02725	72.0
301.03479	49.8
302.04028	2.9
344.28653	1.3
391.79984	1.3
435.67227	1.2
447.09280	100.0
448.09613	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32074	0.3
70.51709	0.8
78.95900	6.6
85.60501	0.3
90.81474	0.3
94.22795	0.3
96.96978	0.7
146.78381	0.3
152.99577	15.5
171.00629	1.4
227.03242	3.0
245.04324	1.7
246.04309	0.3
247.04681	0.5
255.23271	100.0
256.23633	4.8
293.04495	0.3
483.27231	37.2
484.27518	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	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41279	0.3
61.40719	0.3
62.24610	0.3
71.00974	0.7
75.78084	0.3
78.95900	16.7
96.65466	0.3
96.96955	1.3
102.44531	0.3
150.97984	0.4
152.99579	30.2
156.84531	0.3
171.00623	1.4
214.95982	0.3
227.03268	4.7
245.04298	0.8
255.23277	100.0
256.23633	4.7
300.02795	0.8
301.03506	0.5
391.22330	0.6
447.08997	1.7
483.27264	62.4
484.27682	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	484.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.6
59.40243	0.9
71.01382	15.6
71.50155	1.1
72.99310	1.4
84.02169	1.0
84.52871	1.0
85.02982	1.0
86.00082	2.5
87.00849	2.5
87.92529	35.1
88.98802	1.5
90.94879	2.8
97.02924	1.8
100.35471	1.2
103.92033	33.6
104.92807	26.7
105.93587	4.8
111.00908	1.2
114.94860	4.2
115.00383	1.1
123.94653	5.1
127.22363	1.0
130.94366	6.8
135.83311	1.1
142.05049	1.5
144.95900	1.0
147.94672	1.4
156.95927	2.1
158.93817	2.0
171.94644	100.0
172.95276	4.6
175.02425	2.4
184.95395	3.8
185.96255	2.9
197.96222	2.2
198.96861	1.2
199.94188	1.7
201.92078	4.2
201.95694	33.1
204.95874	1.3
213.95633	2.9
214.96432	3.4
215.97276	2.5
216.97971	3.6
225.95647	2.9
226.96484	1.1
227.97318	1.8
231.96689	7.0
232.97478	1.5
233.98317	1.2
241.95149	1.6
249.97833	7.1
250.96339	1.4
255.96797	3.2
257.98270	23.9
258.98883	2.5
263.71844	1.0
271.96097	1.3
273.97766	5.5
274.98547	2.1
275.99493	2.2
280.54520	1.2
287.99359	4.9
306.00439	5.3
319.98160	1.4
321.99957	10.1
322.99985	1.1
361.99268	2.5
373.99298	1.3
378.02322	2.9
380.00360	1.9
392.00220	1.6
396.03577	43.7
397.04086	1.5
410.01373	3.3
412.03073	10.6
426.78067	1.1
427.01852	1.8
428.00424	3.2
484.01563	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	484.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89664	0.3
59.01363	0.7
61.98826	100.0
66.88152	0.3
70.35957	1.0
71.01385	0.3
83.01374	0.4
85.02977	0.4
87.00893	0.3
93.03455	6.4
106.23244	0.3
109.02937	0.6
121.02986	0.7
128.03542	0.5
137.02432	24.1
138.02766	0.5
139.04060	0.4
144.64482	0.3
146.04573	0.6
153.01955	0.3
182.02193	2.7
183.02954	2.8
213.14905	0.5
215.07097	0.4
259.06052	0.4
300.03036	0.4
321.12283	1.0
322.13080	0.4
337.10895	0.4
371.17178	0.6
421.11435	4.2
432.03595	0.3
448.09790	0.4
453.27286	0.3
484.18399	2.7
484.68900	0.8
485.16528	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.24291	1.1
55.47170	1.1
56.01197	1.1
57.03444	2.7
59.01369	1.8
61.98832	3.7
63.02391	1.8
64.72986	1.3
64.97843	1.3
65.00316	5.2
71.51792	1.7
78.95901	1.6
79.72143	1.2
83.01395	6.7
87.51041	1.1
88.98785	1.7
93.03465	3.2
96.96014	1.7
96.96968	1.2
107.01398	7.3
109.02951	9.6
116.05037	1.7
121.02936	2.3
123.00896	2.1
123.04520	1.2
124.01611	1.1
125.02441	42.5
131.01363	1.5
135.04515	2.7
137.02441	9.9
139.00388	1.1
139.04001	7.7
147.00935	5.5
147.04514	2.0
149.02437	4.0
151.00360	48.0
152.01082	1.7
153.01935	25.3
155.00807	1.2
163.00317	4.3
164.07164	7.6
165.01907	9.2
166.02644	1.5
167.03471	4.1
169.01346	1.6
175.00359	35.1
177.01947	6.4
178.99860	19.3
179.03502	1.4
181.01436	11.8
189.01759	1.1
191.03493	6.6
191.05547	2.2
193.01404	100.0
194.01723	2.8
195.02997	2.8
197.04518	4.0
199.34792	1.2
203.08286	6.8
205.01408	1.3
208.03807	1.6
209.04517	2.6
215.03476	6.4
229.01428	1.7
229.05096	1.5
233.04532	3.4
257.04529	5.4
283.02432	9.5
291.05157	2.0
295.54016	1.2
301.03506	24.6
301.06870	2.2
313.05527	3.7
319.04581	41.0
320.04733	1.6
341.05042	18.9
343.06631	3.9
355.06454	1.3
371.09723	2.1
402.94846	1.3
463.08914	14.6
481.09647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63116	1.7
55.40151	2.1
56.46642	2.1
57.03450	13.1
59.01366	4.3
61.98837	2.2
65.00330	3.6
65.96120	1.6
71.01369	7.4
73.02946	2.6
83.01396	9.7
85.02941	3.4
89.02431	5.6
93.03463	3.9
95.01381	4.4
97.02943	2.5
98.20609	3.8
99.00900	5.0
101.02435	3.1
107.01392	7.3
107.05017	2.4
109.02951	31.3
111.00878	11.9
111.04490	2.1
119.05022	5.7
121.02900	3.0
122.06107	4.4
123.00878	30.3
123.04523	3.2
124.01665	5.6
125.01523	4.3
125.02447	81.5
126.02699	1.9
135.04434	2.1
137.02443	21.9
138.05592	2.2
139.00439	9.7
139.01537	1.6
139.03964	8.9
140.01094	9.0
141.01941	28.7
145.02962	5.2
148.01680	3.4
149.02461	4.5
149.04633	2.4
151.00369	35.6
151.03951	2.2
152.01152	10.1
153.01953	18.5
155.03526	4.2
161.02426	5.8
163.03967	12.8
165.01924	33.8
166.02623	3.0
167.03503	34.5
175.00356	3.0
176.01118	2.6
177.01952	2.5
177.05566	23.3
178.99872	24.5
179.03494	4.7
181.05063	8.9
187.04042	4.0
189.01825	2.8
190.02580	2.6
191.03494	22.4
192.69502	1.8
193.01410	82.2
194.01884	3.5
205.05087	3.7
207.02945	2.2
208.03766	42.0
209.04524	61.0
211.04022	2.6
215.03471	4.8
227.03560	3.4
231.02895	2.8
233.04564	9.0
255.03001	10.5
256.03799	3.1
257.04477	3.7
267.11313	3.4
274.04666	1.9
275.05624	7.9
283.02469	34.6
284.02560	2.6
300.02618	2.1
301.03497	13.5
301.07095	7.5
303.07239	31.5
319.04507	5.5
319.08221	10.4
327.07141	4.0
334.32214	1.8
353.08649	2.4
355.06686	37.5
371.09793	100.0
372.10144	4.6
391.11517	7.5
437.10870	4.3
453.10349	4.5
463.02670	3.8
463.08725	54.3
464.08960	2.8
477.51727	2.5
481.09369	59.0
481.23599	4.1
482.09824	3.1
499.08691	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	481.1349
Annotation	Leucocyanidin 4'-methylether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
59.01351	1.7
69.03443	0.9
69.44647	5.2
71.01372	1.8
81.03440	1.0
82.79504	0.7
85.02935	1.5
93.03445	2.9
95.01382	3.0
95.05011	0.8
96.99432	0.6
97.02911	1.4
99.00864	5.3
108.02169	1.3
109.02946	32.0
111.00877	9.7
113.02429	1.2
119.05024	8.6
121.02963	1.2
123.00879	29.9
123.04504	2.9
125.02419	2.0
135.04504	1.7
137.02419	10.7
139.00369	12.3
139.04001	5.5
140.01163	10.0
141.01930	39.3
142.02228	0.9
145.03041	2.0
148.01653	3.8
149.02391	1.7
151.00366	11.4
152.01152	4.4
153.01921	1.8
155.03456	1.6
161.02412	0.9
163.03999	13.2
165.01897	15.6
165.05553	1.7
166.02702	4.9
167.03458	11.8
177.05554	24.8
179.03502	2.3
180.01704	0.7
180.04327	1.0
181.05034	8.3
182.02151	1.2
183.02940	2.4
191.03482	13.8
193.01292	1.1
193.05148	1.1
201.11311	2.3
207.02980	1.6
208.03754	44.2
209.04529	74.5
209.11801	4.4
210.04886	2.0
253.09335	1.3
260.03333	1.1
277.52997	0.7
301.07056	6.2
303.07187	36.3
304.07568	1.7
319.08154	13.4
329.08801	2.2
371.09778	100.0
372.10120	5.8
423.09180	0.9
463.12262	1.2
481.13635	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	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38630	0.3
54.07159	0.2
59.01381	0.8
61.01812	0.3
61.98829	100.0
66.17297	0.3
71.01389	0.3
71.52356	0.3
99.00916	0.3
119.05068	0.4
133.02924	0.3
145.02933	1.4
148.90024	0.3
153.02043	0.4
161.02481	0.6
175.81201	0.3
182.02226	0.6
183.02988	0.6
193.08501	0.3
211.07684	0.2
211.13405	0.5
233.30283	0.2
307.08432	0.3
317.02725	0.7
327.07578	0.3
364.63113	0.3
480.08868	0.9
480.14758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69844	0.3
59.01378	1.0
60.70235	0.3
61.98828	100.0
71.01419	0.4
71.52583	0.3
89.02463	0.5
99.00908	0.4
101.02464	0.4
145.02966	1.8
161.02493	1.0
182.02255	0.8
183.02951	0.5
211.13451	0.6
212.13794	0.6
258.43243	0.3
317.02490	0.8
327.07434	0.4
480.08893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76219	0.8
61.98829	100.0
71.51207	0.7
78.95901	4.0
82.10293	0.7
101.15977	0.7
152.99608	2.3
196.03769	1.0
245.04382	1.9
253.21709	1.3
266.05905	0.8
282.38089	0.7
283.26425	15.4
284.26764	0.9
303.82770	0.8
341.04947	0.7
480.30859	4.6
480.55615	0.8
481.25580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00386	1.1
62.96161	1.0
71.51652	1.8
78.95897	41.7
80.16521	1.0
80.96350	1.3
96.96957	4.1
99.75045	0.9
152.99574	62.8
171.00630	18.5
211.13376	2.9
227.03209	5.1
245.04286	100.0
246.04703	2.5
251.20132	70.4
252.20482	3.4
259.94669	1.2
269.20798	1.0
269.99225	1.1
322.25778	1.3
479.24026	49.1
480.24481	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48094	0.6
61.98827	100.0
64.65298	0.6
86.24773	0.5
90.47191	0.6
90.88538	0.6
94.49726	0.5
97.53651	0.5
185.06068	0.6
188.08667	0.7
190.37222	0.6
227.03455	14.7
229.04948	0.6
245.49846	0.5
255.00255	0.7
255.00771	0.3
255.02972	19.7
256.03690	2.5
284.03244	33.4
285.03928	6.4
417.08228	54.6
418.08582	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	479.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03442	2.8
58.00611	2.8
59.01378	100.0
61.98826	6.0
62.05389	2.0
69.49820	6.6
69.50249	7.9
71.01379	82.6
71.01779	4.5
72.99297	6.3
73.02941	14.2
82.46308	2.1
82.47160	2.2
83.01401	12.4
85.02950	27.7
87.00847	3.8
89.02440	57.0
95.01368	6.5
97.02992	3.3
98.19926	5.4
99.00875	6.7
99.55869	2.4
101.02440	59.3
113.02436	32.2
119.01649	2.2
119.03509	23.9
123.04485	4.4
125.02444	3.9
131.03476	5.7
135.00815	2.3
137.02388	2.9
138.03177	3.1
143.03471	8.3
149.02487	4.3
149.04527	12.7
153.01872	3.4
159.03050	5.5
161.02464	2.6
161.04552	49.7
167.03453	13.3
169.03926	2.5
170.38983	2.3
176.01126	7.6
179.05685	10.8
181.01140	2.3
182.02135	7.2
185.05977	3.0
191.03484	9.9
193.01308	2.2
195.61223	2.3
205.05075	4.6
210.01666	18.3
211.02330	4.1
211.04135	2.6
211.07567	2.4
221.00928	5.4
221.08154	2.5
227.06985	3.8
229.05109	12.3
231.03023	6.0
238.04764	6.0
239.09154	3.3
240.04303	3.5
241.05020	2.7
255.06609	7.0
257.10321	36.8
273.04041	16.6
299.05621	3.9
315.01511	13.4
345.08386	5.0
373.07776	20.0
401.07129	13.9
419.15491	41.9
420.15793	5.3
459.87402	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	478.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95602	0.1
54.31284	0.1
70.37296	0.5
78.95901	5.5
88.98996	0.1
122.00171	0.2
140.01178	1.9
152.99567	0.7
176.87151	0.2
187.61349	0.1
196.03767	1.0
214.04846	2.5
281.24826	100.0
282.25183	6.3
478.29349	12.5
479.29581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.1
65.73719	0.5
68.29929	0.5
78.95901	34.8
95.18012	0.5
96.96955	1.5
109.33706	0.5
122.00153	0.8
123.29134	0.6
140.01189	5.0
152.99565	5.2
171.00609	3.4
196.03799	8.9
214.04832	2.0
281.24841	100.0
282.25214	6.0
310.53549	0.7
450.68442	0.6
478.29355	42.3
479.29721	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	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
62.84060	0.6
63.02418	0.5
65.00321	0.8
69.93353	1.0
69.93745	2.0
72.99299	1.3
83.85403	0.6
86.55614	0.5
88.98832	1.6
89.02422	0.9
101.19698	0.6
107.01400	2.0
109.02953	0.9
111.00909	0.9
117.91970	0.7
119.05031	0.6
123.00857	0.6
124.01653	2.4
125.02434	4.6
129.70216	0.7
135.00575	0.6
135.04272	0.7
137.02451	2.0
138.05595	0.7
151.00366	6.5
152.01079	0.8
153.01917	1.1
162.03166	0.6
163.00375	1.4
163.04010	1.1
164.01157	2.5
165.01941	0.6
169.01448	2.7
170.01729	1.1
171.01865	1.0
178.99857	7.3
179.01283	0.8
180.00182	0.6
183.02686	1.0
191.03505	1.1
203.03439	1.2
204.04173	1.0
214.02684	6.0
215.03481	0.9
227.03412	0.9
242.02176	5.6
243.02925	3.5
245.67241	0.6
255.06548	0.9
259.02423	5.3
270.01678	7.3
271.02451	37.9
272.02792	1.6
287.01953	20.9
288.02588	2.8
289.03314	0.9
299.01917	1.7
299.09256	0.8
315.01385	1.8
316.02206	100.0
317.02893	21.2
317.06531	1.6
479.08224	76.9
480.08624	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	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94042	3.3
58.00599	4.1
59.01378	100.0
61.98843	16.1
70.09751	8.4
70.10154	6.9
71.01377	81.8
72.99326	7.5
73.02950	14.5
75.00900	8.7
78.95918	4.2
83.01373	7.1
85.02946	25.1
87.00871	4.7
88.98807	13.9
89.02439	56.8
95.01377	7.0
98.20621	5.4
99.00885	4.9
101.02439	58.9
109.02954	3.9
113.02450	36.5
119.03518	24.3
123.04540	4.2
125.02469	10.0
128.03560	5.0
143.03442	7.5
149.04485	3.8
149.34079	3.6
151.00381	3.9
151.04013	4.0
159.02986	3.6
161.04552	37.5
165.01837	4.5
167.03374	8.8
177.59605	3.4
179.05586	14.9
181.05183	3.6
182.02106	3.9
193.01302	4.2
201.09074	6.1
257.10297	20.2
281.13861	5.6
312.32928	3.4
312.83115	3.7
419.15445	78.2
419.20563	6.0
420.15686	6.6
428.49469	4.1
432.20020	4.1
478.68839	3.4
479.07611	4.4
479.16205	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98829	100.0
68.99854	0.3
69.43164	0.6
69.43575	1.6
71.01387	1.2
88.98801	0.6
93.03476	0.4
94.97266	0.3
97.02982	0.3
101.02485	0.4
107.01418	0.3
109.02963	4.5
110.03288	1.1
115.00403	0.7
119.05029	0.8
120.05364	0.7
123.04534	1.0
124.04812	0.5
125.02457	4.7
126.02770	1.6
128.03613	0.3
133.01442	1.0
135.04578	0.4
145.02992	0.8
151.00394	1.4
152.00790	1.0
153.01961	6.8
154.02274	2.4
161.02419	0.8
162.02782	0.6
163.04051	1.2
164.04399	0.4
169.01422	7.9
170.01758	3.4
175.02429	0.5
182.02286	0.9
183.02980	0.5
271.02512	0.3
275.18610	0.4
313.05701	0.4
314.06067	0.8
316.02432	0.4
331.06818	1.2
332.06891	1.9
345.08405	0.9
478.10199	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	477.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03456	1.0
58.00592	0.5
58.42213	0.5
59.01374	6.0
61.98830	3.9
65.00315	0.9
66.10178	0.5
67.53793	0.5
71.01383	6.3
71.52972	0.9
72.99297	1.0
73.02945	1.9
82.06200	0.4
83.01382	1.6
85.02950	3.9
87.00854	1.1
88.24538	0.5
89.02422	0.9
95.01418	0.4
96.35599	0.5
99.00875	0.8
101.02444	3.6
107.01398	0.8
107.66542	0.5
109.02953	1.2
111.00892	0.7
113.02437	2.3
121.02944	1.6
124.01686	0.8
125.02425	0.6
139.17143	0.5
141.70068	0.5
145.03006	0.7
151.00349	6.3
163.00394	0.7
178.99875	2.6
208.24577	0.5
227.03542	0.6
239.23750	0.8
245.04477	1.1
255.02898	0.8
264.09219	0.8
265.09842	0.7
283.02432	0.7
297.09921	0.5
297.24146	1.2
301.03528	20.3
302.03793	1.2
313.24023	0.7
315.25378	31.1
316.25699	2.9
327.25345	0.7
459.17862	2.2
459.29529	2.3
477.07233	2.8
477.30658	100.0
478.24591	0.6
478.31021	8.6
499.77759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06647	3.1
51.21759	3.0
57.59156	3.0
59.01373	55.9
61.98813	5.0
63.21244	2.5
69.91990	5.5
69.92397	8.5
71.01384	15.2
81.53017	3.2
82.35458	2.8
85.02946	3.2
86.21990	3.3
101.02429	5.5
113.02427	8.4
209.29074	2.8
221.39360	3.3
255.23273	100.0
256.23376	3.2
269.24847	72.1
279.23325	4.8
283.26440	3.0
297.24387	12.9
301.03436	13.5
313.23874	6.7
388.43903	2.9
411.81931	3.1
450.51025	3.3
477.21164	3.8
490.20349	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	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37800	0.7
55.01872	1.4
57.03428	2.3
57.17231	0.7
58.00587	1.5
59.01378	100.0
61.98825	1.8
63.02379	1.0
67.86471	0.8
69.36683	3.6
69.37109	2.7
71.01382	27.3
72.99270	0.9
73.02937	6.2
83.01383	5.9
85.02955	8.5
87.00884	1.8
87.04501	1.1
88.98794	1.7
89.02440	17.7
95.01348	1.8
97.02908	0.9
99.00871	2.8
101.02437	22.5
107.01384	2.1
109.02933	1.3
113.02448	11.2
119.03501	9.3
121.02952	1.1
143.03473	4.0
147.17497	0.8
149.02406	0.9
151.00381	6.0
159.02985	2.2
161.02478	1.0
161.04550	21.4
175.02460	1.3
178.99840	2.6
179.05611	8.8
228.37395	0.7
247.21671	0.8
255.02841	0.9
255.19600	2.8
301.03503	19.4
302.03766	0.9
417.24902	51.9
418.25217	4.0
477.06699	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03425	2.2
58.00591	1.8
59.01379	100.0
60.99320	4.9
61.98829	28.2
63.02396	1.5
65.00340	2.0
65.18439	0.9
71.01382	42.0
72.99306	2.8
73.02945	8.3
81.03484	0.9
83.01385	6.9
85.02947	13.8
87.00871	3.2
88.98803	21.3
89.02443	22.2
95.01393	3.3
97.02948	1.7
99.00879	4.9
101.02445	32.3
107.01404	5.7
109.02941	3.1
111.00851	1.0
113.02452	16.7
115.00359	2.9
117.03456	1.0
119.03520	8.7
119.04993	2.0
121.02963	4.9
125.02444	2.6
131.03479	1.2
133.02924	1.4
137.02386	1.0
143.03497	3.0
145.02965	6.2
150.99190	1.6
151.00368	21.4
157.01347	1.4
159.02988	3.4
159.04376	1.4
161.02409	3.6
161.04568	22.6
161.05920	1.7
162.04878	0.9
163.00420	2.9
163.04007	1.5
167.03525	1.0
169.01367	1.2
172.22084	1.1
173.06105	0.9
175.02451	7.0
178.99840	9.8
179.05573	8.2
181.01410	1.6
182.02156	2.7
183.02927	2.3
187.03973	2.3
201.05556	1.2
211.03970	1.2
221.83916	0.9
227.03513	1.1
229.05066	1.6
245.04565	2.0
255.02910	4.1
255.19589	1.7
271.02438	1.5
273.03989	1.2
283.02652	2.1
301.03516	69.1
302.03891	4.2
313.23843	1.9
314.04233	1.2
327.07022	1.2
331.13840	1.5
331.24850	15.7
332.25281	1.8
417.24908	72.5
418.25317	5.7
477.06650	11.5
477.28610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90055	0.4
57.03444	5.8
59.01360	1.4
63.02409	0.4
65.00004	0.6
65.00317	5.1
68.73560	0.4
70.70705	1.1
71.01360	0.9
81.03441	1.2
83.01378	7.9
85.02938	0.6
93.51292	0.4
96.95973	0.5
96.96948	0.5
98.31125	0.4
107.01384	8.7
116.00963	0.4
118.44648	0.4
123.04544	0.6
123.43819	0.4
124.01656	3.4
125.02436	49.0
126.02757	0.9
139.04042	0.6
149.02425	0.9
149.99615	0.6
151.00356	43.5
152.00810	1.0
161.02402	0.5
165.01967	0.4
167.03458	0.8
168.00623	4.3
169.01405	8.6
170.09337	0.5
171.14690	0.4
175.00342	1.5
193.01402	0.7
205.07214	0.5
211.02347	0.6
235.02472	1.3
295.04364	0.5
317.51846	0.4
331.06696	3.0
354.40012	0.5
408.69122	0.4
459.11389	0.6
473.74414	0.4
477.12427	100.0
478.12839	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	477.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02475	0.8
57.03453	0.9
59.01371	8.4
61.98822	3.5
63.02398	1.3
65.00318	1.5
67.12827	0.8
67.54571	0.8
67.72515	0.9
70.79839	1.7
71.01380	3.9
75.00858	1.3
81.81160	0.8
83.01390	3.4
85.02963	4.0
85.90261	0.8
87.00856	0.8
88.98809	3.1
89.02444	3.6
93.03439	1.5
94.56087	0.8
95.01387	2.3
96.96043	1.0
97.02964	1.1
99.00858	1.2
101.02461	2.5
107.01377	3.4
108.02170	2.8
109.02945	20.6
111.00915	1.5
113.02454	2.7
117.03451	1.8
119.03562	1.0
119.04997	6.5
121.02927	0.9
123.00890	1.9
123.04529	3.3
124.01662	1.9
125.02436	20.2
133.02963	3.3
135.04506	2.2
136.98863	0.9
137.02444	2.6
139.00378	1.8
139.04044	1.3
141.01987	2.4
145.02927	6.5
149.02408	1.7
151.00365	13.8
151.04016	1.4
152.01169	2.4
153.01918	32.5
161.02429	6.5
161.04411	0.9
163.04066	3.5
165.01979	1.5
167.03529	1.1
168.00635	1.3
169.01413	40.5
170.01808	1.7
178.99841	1.4
179.03525	3.9
181.01393	4.6
181.05083	1.6
182.02173	12.8
182.03569	1.1
183.02977	19.8
183.04552	1.7
184.03366	1.1
187.03931	0.8
195.02934	6.5
196.03670	1.6
201.05621	2.4
205.05263	0.9
207.02962	1.5
209.00906	15.6
210.01727	5.6
211.03987	1.3
219.02983	1.7
223.02534	1.6
224.03233	97.2
225.03986	21.3
227.03569	1.3
229.05127	2.5
235.02408	4.4
237.04114	2.0
239.03484	1.6
243.03099	1.1
246.98769	1.0
249.04102	2.1
252.95992	0.9
253.03534	2.2
255.02989	2.1
266.04425	1.1
269.01071	1.2
278.04416	1.2
283.02426	2.1
295.04672	1.4
296.05322	4.9
297.00381	2.1
297.06223	1.5
301.03516	38.3
302.03998	1.3
313.05789	3.0
314.06461	5.3
315.07062	4.4
331.06723	10.1
345.08200	4.4
369.08224	1.7
387.09290	40.6
388.09671	2.7
459.11584	6.2
477.12476	100.0
478.12817	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	477.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07936	0.7
57.03439	0.9
59.01379	4.1
60.99305	1.0
61.98818	1.5
65.00311	1.1
66.54209	0.7
67.32835	0.7
69.03460	1.8
70.75980	2.0
71.01378	2.7
71.96951	0.6
81.03483	1.1
81.15994	0.7
83.01373	4.0
85.02966	1.8
88.98806	5.1
89.02456	2.3
93.03471	0.9
95.01391	0.9
97.02979	2.2
99.00887	1.9
107.01373	4.8
108.02187	1.3
109.02942	12.6
110.00074	1.4
111.00887	3.3
113.02456	0.9
117.03456	1.5
119.05006	12.2
121.02969	1.9
121.66736	0.8
123.00880	2.7
123.04481	1.1
125.02441	36.4
131.08235	1.3
133.02931	1.4
135.04504	1.0
137.02417	6.3
139.00415	3.3
139.04008	1.2
140.01169	1.4
141.01907	4.8
145.02960	5.5
151.00351	11.0
151.04012	1.4
152.01125	1.4
153.01926	25.0
161.02470	4.1
163.04002	13.0
163.05272	1.2
164.01216	1.0
165.01947	7.4
165.99092	2.1
166.99835	1.9
168.00676	1.1
169.01411	63.4
170.01776	1.0
177.01994	1.1
181.01431	5.6
182.02199	92.1
183.02968	74.5
183.05336	1.1
184.03314	1.1
186.01627	0.9
187.04128	1.5
195.02980	3.1
207.03015	1.0
241.07327	0.9
249.68768	0.8
295.04520	1.6
301.03665	3.2
312.01675	0.8
313.05649	15.6
315.07379	2.4
325.03723	1.3
331.06808	5.5
343.04425	0.9
377.14899	2.1
414.14136	0.8
477.12363	100.0
478.12500	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	477.1039
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
57.33101	0.4
59.01384	2.4
60.99292	1.2
61.98831	2.3
62.71559	0.3
63.02380	0.3
63.83072	0.3
69.03439	0.5
69.93480	1.1
69.93898	0.5
71.01395	0.9
72.99323	0.8
81.03442	0.6
83.01391	1.0
85.02964	0.6
87.00910	0.4
88.98808	7.1
89.02430	1.4
97.02939	0.4
98.20522	0.4
99.00885	0.5
101.02435	0.5
107.01392	2.6
108.02164	2.2
109.02948	61.2
110.03286	1.2
111.00858	0.6
113.02444	0.6
117.03471	0.6
119.05029	5.8
121.02956	0.4
123.00896	0.9
123.04548	0.5
124.01656	0.3
125.02444	16.9
133.02979	3.9
135.04498	2.3
137.02440	0.7
139.00354	0.7
141.01956	1.0
145.02957	2.8
151.00378	6.4
151.04063	0.3
152.01155	0.7
153.01930	100.0
154.02217	1.6
157.11731	0.3
161.02432	14.3
161.05916	0.3
162.02779	0.7
163.04004	5.5
165.01901	1.0
165.99023	0.4
166.99902	0.3
168.00661	0.5
169.01411	32.2
170.01703	1.0
175.02548	0.3
177.01973	0.4
179.03459	1.3
181.01419	1.1
182.02209	12.6
183.02969	7.8
184.03300	0.4
187.04034	0.5
189.19240	0.4
195.99710	0.3
211.02509	0.5
231.21585	0.3
251.08040	0.3
252.08899	0.6
287.52023	0.4
295.04526	0.6
301.03506	1.6
313.05618	6.4
315.07227	15.9
316.07455	0.9
323.07617	1.0
331.06763	3.3
355.04471	0.5
373.05411	0.4
373.85748	0.3
381.53433	0.3
414.13950	0.6
435.12000	0.3
456.25797	0.4
477.11172	19.9
478.11520	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00013	0.5
59.01378	18.4
61.98834	10.0
63.02399	0.8
65.00317	1.1
69.03454	1.3
69.27480	2.6
69.27906	1.5
71.01380	2.8
72.99323	0.9
73.02962	1.0
81.03453	1.4
83.01386	1.2
85.02956	0.9
88.98801	1.0
89.02443	1.6
95.01398	0.9
97.02948	1.2
97.76814	0.6
98.20605	1.0
101.02446	1.8
107.01379	2.9
108.02200	3.4
109.02950	45.2
110.03316	1.2
112.19980	0.5
113.02467	1.1
117.03461	1.6
119.05022	4.1
120.05369	0.6
121.02966	0.7
123.00860	1.0
124.01609	0.6
125.02444	44.9
126.02767	0.8
126.86465	0.6
128.53497	0.6
133.02957	3.0
135.04547	3.9
145.02953	5.9
151.00365	9.7
152.01132	1.3
153.01933	74.0
154.02286	2.0
155.10776	0.9
161.02446	8.0
161.04568	1.7
163.04027	3.8
168.00636	1.6
169.01414	100.0
169.12332	1.3
170.01784	2.6
170.83771	0.5
179.03488	2.1
182.02170	1.8
183.02945	1.2
197.11823	0.9
203.03490	1.2
295.04297	0.8
301.03442	1.3
313.05734	2.2
315.07159	1.4
323.07819	1.3
331.06693	32.6
332.07239	1.3
417.24799	2.0
477.10352	26.0
477.19608	3.5
478.10840	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91213	0.6
57.03423	2.1
59.01383	4.0
60.10115	0.7
61.98800	1.7
63.02396	6.0
65.00318	9.1
65.10539	0.6
69.63701	2.8
71.01357	2.5
73.02921	0.9
74.57215	0.6
81.03413	0.6
83.01385	7.6
85.02943	1.5
88.98787	0.7
93.03431	1.5
94.82053	0.6
97.02932	0.7
98.20626	1.2
107.01383	21.5
108.02187	0.6
109.02946	4.4
112.83261	0.6
113.02454	1.9
117.03491	6.6
119.01353	0.9
119.05023	4.3
121.02949	5.1
123.00846	1.6
124.01630	2.5
125.02448	14.9
133.02931	1.0
135.04449	0.9
137.02444	1.1
145.02940	21.2
146.03455	0.7
149.02399	2.1
149.99574	2.1
151.00360	100.0
152.00743	2.6
153.01895	1.8
159.04553	1.1
161.02399	1.6
161.55284	0.6
163.00363	3.7
163.03923	3.1
164.01030	0.7
167.03503	0.8
168.00610	6.2
169.01411	38.0
170.01714	0.9
175.00314	1.1
175.02484	1.4
178.99857	11.2
181.01392	0.7
182.86057	0.6
183.04524	0.7
187.04028	1.2
189.05548	1.1
193.01334	1.3
197.11723	1.3
205.01355	0.8
211.04002	1.9
215.03275	0.8
218.52332	0.6
227.03468	1.3
229.05133	2.0
231.06625	1.0
243.03009	0.6
245.04535	2.7
255.02943	4.4
273.04114	2.7
273.07721	4.3
283.02512	1.7
295.04550	5.5
301.03497	75.3
302.03830	4.3
313.05740	2.0
331.06680	7.7
332.07047	0.8
476.72891	0.6
477.10602	87.1
478.11035	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.5
70.01412	1.3
78.95901	100.0
96.96963	7.6
122.24675	0.3
140.01189	0.8
150.98044	0.5
152.99582	17.4
160.88301	0.3
171.00630	20.7
214.04892	0.5
221.72601	0.3
279.23395	3.0
301.03540	0.5
358.52335	0.4
402.24161	2.4
434.24225	0.3
472.44516	0.3
476.27786	61.7
477.28104	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	477.0672
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
59.01377	1.8
59.42241	0.2
63.02390	2.5
64.67424	0.2
65.00318	4.9
69.24554	0.2
71.01380	3.2
75.00899	0.6
83.01381	3.7
85.02951	1.8
87.00893	0.5
91.01925	0.7
93.03451	1.6
95.01400	0.7
99.00931	0.6
103.00381	0.6
107.01387	12.4
108.02216	0.5
109.02948	6.7
113.02448	2.1
117.01960	0.4
117.03455	0.3
119.01424	0.9
120.82817	0.3
121.02952	8.6
122.03368	0.4
124.01673	0.5
125.02461	0.8
135.00905	1.0
137.02457	0.3
139.04005	0.9
143.04961	0.3
145.02928	0.6
147.00826	0.3
147.04530	0.4
148.01685	0.4
149.02441	1.7
151.00360	38.2
152.00700	1.2
153.01947	0.6
159.04504	1.5
161.02472	0.5
161.06015	0.4
163.00357	5.7
163.04013	0.6
164.01112	0.8
165.01868	0.3
167.05083	0.5
169.01421	1.4
171.04501	0.4
173.06102	0.5
175.02464	1.1
175.03992	0.7
178.99852	13.7
180.00186	0.5
183.04504	1.3
185.02452	0.4
185.06059	0.6
187.03995	1.3
189.01952	0.3
190.99776	0.7
192.00623	0.5
193.01367	0.6
199.04047	0.5
201.05492	1.3
203.03406	0.6
205.05051	0.3
211.03992	2.6
212.04492	0.5
213.01877	0.6
215.03615	0.3
227.03508	3.0
228.04057	0.3
229.05002	1.8
229.97659	0.3
239.03421	0.8
243.02904	0.8
245.04547	4.6
252.02203	0.3
255.02971	5.8
256.03470	0.8
257.04498	0.6
266.02045	0.5
271.02390	1.4
273.04050	2.6
283.02390	2.6
300.02631	0.7
301.03503	100.0
302.03830	7.1
331.06384	0.3
477.06281	14.7
478.06488	1.9
484.27036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Herbacetin 8-glucuronide
Peak:m/z	Relative Intensity
50.90666	0.6
53.80822	0.6
54.34032	0.6
57.03423	1.3
58.54818	0.6
59.01382	12.1
61.98825	3.9
63.02393	1.5
65.00321	2.3
67.01873	0.6
70.93304	1.1
70.93640	0.8
71.01382	5.2
71.46566	0.6
72.99317	0.9
75.00869	1.7
81.03447	0.8
83.01378	3.0
85.02946	5.6
87.00878	1.6
88.98782	2.0
89.02444	3.3
93.03454	2.0
95.01400	1.9
97.02954	0.6
97.49615	0.7
99.00846	2.0
101.02444	1.5
103.00367	0.8
107.01392	4.2
108.02181	3.2
109.02950	26.1
109.03702	1.4
110.00026	0.5
110.03307	1.2
111.00852	1.7
112.83509	0.6
113.02449	5.5
114.73781	0.7
115.00352	0.9
117.01941	0.8
117.03454	2.9
119.03452	0.8
119.05045	4.4
121.02957	1.1
122.42256	0.6
123.00850	1.7
123.04481	1.8
124.01646	1.3
125.02447	11.9
131.04990	1.1
133.02939	3.6
135.04504	1.7
137.02429	2.3
139.00375	1.5
141.01944	0.8
143.04970	1.0
145.02948	6.4
151.00366	21.0
152.01097	2.6
153.01932	45.4
154.02280	0.7
157.06628	0.7
159.04530	1.9
161.02422	9.6
161.04488	1.1
162.02795	0.8
163.00398	1.4
163.03960	2.5
165.01891	1.9
167.03525	0.7
168.00558	1.2
169.01413	24.6
175.02464	1.0
178.99850	1.5
179.03479	2.3
179.05452	0.6
181.01418	1.4
182.02191	10.9
183.02945	8.3
183.04491	2.1
187.03999	1.4
195.02971	1.1
201.05528	5.0
203.03542	0.7
206.69957	0.7
209.00909	1.1
210.01634	0.9
211.04042	5.0
213.01834	0.8
213.05278	0.7
224.03224	6.9
225.03949	1.9
227.03493	2.0
229.05000	4.9
239.03485	4.4
243.02904	1.1
245.04527	1.6
255.02924	6.2
256.03656	1.7
256.69467	0.8
271.02332	2.1
272.03094	0.8
279.12131	0.9
283.02368	3.8
290.52499	0.7
295.04608	1.7
300.02893	0.8
301.03503	100.0
302.03818	5.5
313.05582	2.3
315.07248	5.3
315.12375	1.3
331.06796	3.6
345.08295	0.8
378.99893	0.8
387.09235	3.3
414.14124	3.3
477.11768	28.8
478.11273	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	476.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28233	0.3
55.30252	0.3
59.01377	1.3
61.98827	100.0
71.01379	0.7
71.07707	0.4
71.08047	0.6
72.99318	0.4
110.74487	0.3
145.02921	0.4
151.00374	1.1
153.01949	0.3
165.01944	0.4
178.99863	0.6
180.86261	0.4
183.24335	0.3
209.04579	0.6
210.04849	0.3
233.04666	0.8
234.04936	0.8
235.09772	1.1
235.47498	0.3
236.10112	1.2
247.25040	0.3
249.20192	0.4
251.09378	0.3
252.09523	0.3
262.08560	1.2
263.08820	2.9
264.09564	1.7
279.08728	1.0
280.09076	2.3
294.11334	0.3
295.11444	0.8
301.03571	3.7
363.93839	0.3
426.14893	3.1
458.17426	9.0
459.17941	0.6
476.18622	1.5
476.29639	1.2
477.06735	0.6
477.30594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65933	2.7
54.60344	3.2
59.01380	4.0
61.98821	12.0
63.21405	3.4
64.39446	3.2
69.17007	6.4
69.17405	25.3
71.01391	3.7
85.02940	21.0
87.00868	22.4
115.00349	20.1
129.01888	3.8
154.97652	2.9
157.01390	25.2
175.02502	8.5
255.23265	53.9
413.25439	100.0
414.25656	9.2
420.99536	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	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.97610	0.1
51.58781	0.1
59.01377	0.3
62.75232	0.1
70.74256	0.3
78.95900	5.4
109.85274	0.1
140.01189	1.7
152.99606	0.7
166.58817	0.1
171.00705	0.2
196.03792	1.3
214.04848	2.8
261.22064	0.4
279.23260	100.0
280.23593	5.9
280.26709	0.2
316.01028	0.1
333.23929	0.2
358.51770	0.1
476.27768	11.2
477.28366	0.7
477.34338	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79106	0.2
54.17228	0.3
59.01369	0.4
62.96437	0.2
63.07551	0.2
63.85539	0.2
78.95901	32.9
83.05039	0.3
83.27593	0.2
92.37341	0.2
96.96954	1.3
101.18952	0.2
122.00134	0.6
140.01175	6.2
143.65396	0.2
152.99590	4.2
166.02670	0.3
171.00612	3.2
193.70323	0.2
196.03790	10.4
197.04102	0.3
200.07370	0.3
214.04877	2.6
229.20253	0.4
230.78169	0.2
261.22266	0.6
279.23264	100.0
280.23596	6.1
283.11884	0.2
301.03448	0.4
387.03189	0.2
391.15958	0.3
410.33264	0.2
476.27789	45.3
477.28058	3.8
496.43985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98817	2.3
64.89342	0.8
70.82205	1.8
83.01402	2.4
84.91366	0.8
109.02987	0.8
111.00849	1.1
136.98805	1.7
137.02396	2.8
141.01907	2.3
147.04509	2.3
150.03276	1.0
153.01936	15.5
163.04021	4.3
164.04791	1.1
165.01964	5.1
166.02716	4.1
167.03510	1.6
178.02682	1.2
179.03500	3.9
181.01428	11.1
181.05067	3.1
182.02213	7.4
183.02988	9.0
191.03459	3.4
192.04233	1.9
193.04790	0.9
198.60603	0.7
205.05037	7.9
206.09499	1.6
207.03032	7.4
207.04967	1.3
208.03735	1.7
209.04529	9.5
211.02458	1.6
217.08636	0.9
219.06660	1.5
219.10123	0.9
221.08238	1.6
233.02719	0.5
233.04532	19.2
233.08160	3.3
234.08893	2.2
235.09749	29.7
236.10042	1.3
247.06111	1.0
248.06873	1.5
249.07794	1.6
251.09129	6.4
257.08194	1.0
261.07669	2.2
262.08456	46.0
263.09204	31.8
264.09683	3.2
265.07169	1.8
267.12411	1.5
269.73984	0.9
275.09152	2.1
279.08728	46.1
280.09076	2.8
294.11090	17.4
295.11646	3.8
306.01392	0.8
327.07199	20.1
411.12875	1.4
425.14496	40.2
426.14908	2.0
443.15683	4.1
457.17136	100.0
458.17419	7.2
475.11810	1.6
475.18243	18.0
476.18802	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	475.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23879	15.5
59.01366	30.8
61.98829	26.0
69.59587	16.1
72.78676	20.1
78.95911	85.6
90.63399	16.5
96.96951	19.3
98.20701	50.4
99.05637	20.5
105.02853	20.2
128.03546	23.2
143.04561	39.9
152.99593	41.8
188.93710	19.0
197.02228	24.9
209.11778	34.8
272.08551	19.1
277.21710	100.0
279.23236	70.3
306.07736	27.5
425.14154	23.7
457.17291	38.9
476.20593	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
60.99300	14.1
61.98805	0.7
65.06972	0.4
70.14279	1.5
71.01381	1.6
83.01367	0.8
85.02942	0.7
86.63276	0.4
87.00898	0.8
88.00404	1.1
88.98801	100.0
89.02441	9.4
89.99134	0.7
96.96003	1.3
101.02414	1.0
113.02424	0.5
123.04523	0.9
124.62496	0.5
125.02435	0.5
145.02925	1.0
149.06009	0.5
153.01976	1.0
153.40881	0.5
167.03502	0.8
181.08682	0.9
191.03604	0.6
196.68512	0.5
207.06639	0.6
247.51031	0.5
251.09322	1.4
269.04477	0.5
271.02518	0.7
299.01834	0.6
395.04837	0.5
413.14737	0.5
431.15649	1.1
457.13766	0.6
475.14008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
60.99305	13.7
61.98836	1.1
68.75251	0.4
69.34346	4.1
71.01387	2.7
71.42503	0.4
72.99329	0.6
83.01389	1.2
85.02977	0.9
87.00880	0.7
88.00401	0.6
88.98802	100.0
89.02439	10.1
89.99154	0.8
96.96008	1.8
101.02442	1.7
108.24351	0.6
113.02457	0.8
119.03500	0.5
123.04508	3.1
125.02441	0.8
128.03485	0.6
135.04430	0.7
139.07654	1.3
145.02954	0.8
149.02432	0.6
149.06084	0.6
153.01936	2.7
155.07187	0.6
161.02385	0.9
163.07594	0.7
167.03506	1.5
181.08765	2.4
189.05548	0.7
197.00893	1.0
205.08598	0.5
207.06595	1.2
221.06584	0.5
228.47960	0.6
233.08208	1.4
251.09189	3.4
269.04504	1.6
305.08417	0.6
341.02960	1.1
413.14398	1.6
431.15509	1.2
475.13757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01181	0.7
59.01505	2.0
61.98609	0.8
61.98955	2.8
69.18479	0.4
71.01506	1.1
71.07104	0.8
77.55903	0.5
78.95982	0.6
83.01551	2.5
85.03073	0.8
85.06747	0.5
87.00983	0.5
89.02561	0.8
93.03547	0.4
97.03098	0.5
99.01010	0.5
111.01048	0.7
113.02586	0.8
121.03166	0.5
124.01818	0.6
136.98929	0.5
137.02618	1.4
138.03423	1.5
141.01952	2.2
145.02972	2.1
147.08348	0.7
150.03442	1.3
152.01270	1.0
152.03590	0.5
153.02144	6.4
163.04010	4.1
164.05002	1.4
165.01936	6.0
166.02736	3.2
167.03680	1.4
170.02356	1.1
177.05786	1.3
177.09315	0.8
178.02927	1.7
179.03470	4.5
179.62662	0.4
181.01669	1.3
181.05029	2.8
182.02217	10.3
183.02966	10.4
187.04222	0.8
191.03481	3.5
191.10905	0.5
192.04214	2.4
193.08823	0.7
194.02336	1.1
195.03209	0.6
205.05061	9.0
206.09697	1.7
207.03009	6.4
207.04852	0.5
207.10425	0.8
208.03712	0.8
209.04555	10.1
211.02715	1.6
217.08887	1.4
219.06839	1.5
219.10469	1.0
221.04808	0.7
221.08351	1.0
233.02333	0.6
233.04530	20.2
233.08080	2.6
234.05067	0.7
234.09203	2.0
235.09727	31.0
236.10362	1.5
237.07922	0.7
245.08244	0.7
247.06358	0.6
247.09935	0.8
251.09203	6.4
261.07620	2.6
262.08441	46.4
263.09207	35.2
264.09732	2.5
265.10965	1.0
267.12613	2.0
270.06876	0.4
275.09363	1.3
277.10895	0.5
279.08710	50.1
280.09042	2.3
288.09592	0.5
293.10526	0.6
294.11072	17.4
295.11792	4.9
345.08240	10.9
346.08804	1.0
382.49518	0.5
407.13580	0.9
425.14511	42.7
426.14856	3.3
439.15262	0.5
457.17133	100.0
458.17459	8.0
475.18170	17.3
476.18500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01383	0.5
65.00327	0.6
69.50433	1.0
69.50859	0.7
76.04599	0.2
81.03452	4.5
83.01382	2.4
90.80170	0.2
95.05026	0.7
99.04510	0.3
107.01368	0.6
123.04520	28.9
124.04864	0.6
124.82584	0.2
125.02447	5.5
149.02469	0.7
151.00360	1.3
161.36562	0.3
163.03998	0.3
163.54381	0.2
167.03484	100.0
168.03839	3.0
191.03517	0.7
209.04420	0.5
240.98897	0.3
475.14529	15.4
476.14890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
60.99300	14.1
61.98805	0.7
65.06972	0.4
70.14279	1.5
71.01381	1.6
83.01367	0.8
85.02942	0.7
86.63276	0.4
87.00898	0.8
88.00404	1.1
88.98801	100.0
89.02441	9.4
89.99134	0.7
96.96003	1.3
101.02414	1.0
113.02424	0.5
123.04523	0.9
124.62496	0.5
125.02435	0.5
145.02925	1.0
149.06009	0.5
153.01976	1.0
153.40881	0.5
167.03502	0.8
181.08682	0.9
191.03604	0.6
196.68512	0.5
207.06639	0.6
247.51031	0.5
251.09322	1.4
269.04477	0.5
271.02518	0.7
299.01834	0.6
395.04837	0.5
413.14737	0.5
431.15649	1.1
457.13766	0.6
475.14008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01375	3.7
59.76780	0.5
61.98840	3.7
67.78009	0.5
69.03425	0.5
70.37509	1.4
70.37892	0.9
71.01373	1.9
78.60191	0.5
78.95397	0.5
81.03453	1.1
83.01379	3.0
85.02927	1.4
87.00829	0.6
89.02438	0.6
93.03441	1.2
96.00880	0.7
101.02425	1.1
107.01427	0.6
109.06569	0.9
113.02409	1.1
117.27280	0.6
119.01421	0.9
121.02921	1.1
123.04530	8.0
125.02403	1.9
134.03703	0.6
134.11810	0.5
135.04489	0.9
137.01465	0.9
137.02441	12.7
137.06029	0.7
139.03998	1.3
145.02950	0.7
147.00824	0.6
149.02425	3.5
150.03233	0.7
151.00331	1.7
151.03981	1.3
152.04793	7.8
153.01915	1.2
163.04010	4.1
164.04778	2.9
165.01910	12.3
165.05490	1.5
166.02640	1.1
167.03484	37.5
168.03763	1.0
168.39034	0.5
175.00357	5.4
175.03972	0.8
179.03465	5.5
180.04294	3.7
181.03430	1.2
181.05051	21.9
182.02193	1.9
182.05426	0.6
183.03014	0.9
184.03752	5.4
190.02722	12.5
191.03494	2.6
193.05051	0.8
195.02975	25.4
203.03548	1.0
205.05038	13.5
207.03047	5.0
207.04916	1.2
208.03755	56.1
209.04538	40.0
209.11674	1.0
221.04498	1.5
223.06145	3.9
233.04526	5.8
235.09758	2.9
251.05527	0.6
253.10860	1.1
256.14911	0.6
262.08401	10.7
263.09134	4.8
279.08688	1.0
280.09521	13.8
281.10043	1.7
285.03851	1.1
344.05814	0.6
371.09821	53.3
372.10205	2.7
415.23364	0.6
425.14554	7.2
443.15540	100.0
444.15897	7.4
457.17181	1.0
475.16226	9.5
475.22095	0.8
476.16281	1.5
494.33966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53352	0.4
59.01374	3.3
61.96172	0.4
61.98820	1.5
69.72227	2.4
71.01369	1.7
83.01361	2.1
83.05078	0.4
85.02950	1.0
86.03329	0.4
87.00861	0.6
88.24411	0.5
89.02436	1.0
93.03448	1.3
95.05035	0.5
101.02415	0.9
105.81379	0.4
107.04997	0.4
109.06569	0.6
113.02438	0.7
123.04494	2.5
125.02419	1.1
135.04575	0.5
137.02428	12.1
138.03099	0.4
139.04018	1.7
140.14816	0.4
149.02493	0.7
151.00345	1.1
151.03999	1.3
152.03517	3.3
152.04784	7.9
153.01927	1.2
156.94304	0.5
163.03993	2.3
165.01904	12.0
165.05569	1.2
166.02617	1.5
167.03479	19.4
179.03497	5.1
180.04369	2.6
181.05063	20.9
182.02182	3.0
182.05360	0.8
183.02945	2.2
184.03773	4.9
191.03534	1.2
192.78616	0.5
193.04961	0.9
195.02968	24.4
196.03355	0.7
203.03564	0.9
205.05118	2.4
207.03004	5.4
207.04906	0.8
208.03752	52.4
209.04523	39.4
209.06599	0.9
210.04944	1.6
221.04471	1.8
233.04553	4.4
235.09703	2.8
253.10764	1.4
262.08398	9.3
263.00775	0.4
263.09253	4.0
279.09030	0.5
280.09500	13.0
281.10168	2.1
285.03943	1.4
287.29385	0.5
342.09488	0.5
345.08389	0.9
353.08771	0.8
371.09775	49.5
372.10056	1.9
407.13766	0.6
410.84207	0.5
425.14590	6.9
443.15536	100.0
444.15836	7.9
475.18246	0.9
477.30817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53848	0.2
55.23511	0.3
57.03454	0.8
59.01374	2.1
59.97433	0.3
61.43456	0.3
61.98833	3.5
65.00324	0.5
69.41713	2.0
71.01374	0.8
73.86575	0.3
75.00896	0.3
78.95896	0.9
81.03458	4.8
83.01373	2.6
89.02430	0.4
94.98981	0.3
95.05006	0.7
97.02969	0.3
98.20622	0.6
101.02459	0.4
103.74257	0.3
107.01424	0.3
111.00854	0.3
115.92091	0.4
117.03469	0.8
121.02950	0.8
123.04522	28.5
124.04838	0.6
125.02448	6.0
137.02512	0.3
141.01974	0.4
145.02966	2.2
149.02431	0.4
151.00339	1.6
153.01920	0.7
161.02402	0.3
163.03972	0.4
165.01869	0.3
167.03488	100.0
168.03828	2.5
179.03651	0.3
181.01456	0.6
182.02213	6.9
183.02969	6.4
191.03419	0.5
207.02998	0.4
209.04552	0.5
211.13429	0.4
233.04475	0.5
262.08456	0.6
263.09146	0.6
279.08829	0.3
306.07712	0.4
307.08176	1.0
311.07843	0.9
318.53915	0.3
345.08206	5.8
425.14444	0.5
443.15604	0.5
457.17102	1.0
475.12668	6.3
475.19034	0.8
475.28967	0.6
476.12915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.60901	0.6
70.33675	2.2
70.34048	0.7
71.01375	14.9
72.99306	4.5
87.68211	0.6
88.04018	1.0
89.02441	3.3
90.19357	0.7
98.19970	0.8
115.00362	39.7
116.00704	0.8
117.25988	0.7
128.39851	0.6
132.03036	1.8
132.94647	1.8
133.01421	100.0
134.01744	1.7
184.77524	0.6
215.00606	0.7
229.00275	0.7
232.99718	0.7
341.11121	1.4
377.08670	2.9
415.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.83712	0.2
59.01365	0.6
65.00325	0.4
67.24931	0.2
69.50793	1.1
81.03454	3.8
83.01371	2.0
95.05010	0.6
107.01400	0.6
123.04523	25.4
124.04844	0.5
125.02441	4.8
149.02457	0.7
151.00356	1.5
163.04037	0.3
163.05331	0.2
166.02742	0.2
167.03494	100.0
168.03835	2.6
191.03497	0.8
209.04552	0.5
263.35828	0.3
274.00235	0.2
308.67197	0.2
475.14548	15.6
476.14737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66458	0.2
57.03434	0.7
59.01377	2.3
60.39687	0.2
65.00311	0.6
69.45593	0.5
69.46010	1.2
71.01386	0.7
74.75470	0.2
78.13545	0.2
81.03458	5.4
83.01384	3.3
89.02443	0.4
95.05012	0.6
101.02447	0.3
107.01396	0.4
117.03474	1.5
119.05017	0.7
121.76177	0.2
123.04523	28.7
124.04874	0.4
125.02453	4.1
133.02904	0.3
135.04694	0.3
143.03369	0.2
145.02943	4.4
149.02455	0.3
151.00362	2.1
161.02457	0.5
163.03961	0.6
167.03484	100.0
168.03824	2.5
179.03539	0.3
191.03481	0.5
221.04564	0.4
226.41064	0.2
307.08298	2.0
311.07587	1.3
392.66525	0.3
405.55878	0.3
415.23291	0.5
475.12140	1.4
484.83624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
59.01374	1.2
61.98833	0.3
63.02415	0.1
64.90184	0.1
65.00319	0.7
66.78149	0.1
68.99806	0.1
69.47908	0.7
71.01398	0.2
78.95929	0.1
81.03452	4.8
83.01383	2.9
85.02937	0.1
89.02457	0.2
93.03457	0.2
94.61668	0.1
95.01389	0.2
95.02656	0.1
95.05038	0.6
97.02952	0.2
98.95626	0.1
99.04514	0.4
105.56626	0.2
107.01369	0.8
108.02191	0.1
113.02421	0.1
115.92094	0.2
116.67876	0.1
116.92838	0.2
117.03461	1.4
119.03491	0.1
119.05006	1.0
119.38709	0.1
121.02950	0.2
123.04525	30.9
124.04874	0.7
125.01524	0.2
125.02444	4.6
133.02945	0.1
137.02438	0.3
139.04066	0.2
145.02954	4.6
146.38603	0.1
149.02449	0.5
151.00375	1.8
163.04001	1.0
165.02019	0.2
166.02676	0.1
167.03496	100.0
168.03836	2.6
179.03479	0.2
181.05132	0.3
182.02167	0.1
183.03008	0.2
191.03499	0.4
193.05070	0.2
195.02881	0.2
205.05127	0.2
208.03786	0.6
209.04541	0.7
221.04549	0.2
233.04599	0.3
237.04007	0.2
260.08490	0.1
294.07440	0.4
307.08209	2.1
311.07706	1.5
329.08847	0.2
371.09741	0.6
439.10730	0.1
475.12338	2.8
476.12704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53346	0.6
56.54129	0.5
59.01371	2.1
61.98825	1.0
65.00322	1.3
69.03461	0.7
69.50111	3.9
71.01367	1.9
77.03960	0.8
80.29060	0.5
81.03452	1.3
83.01367	5.0
85.02928	1.6
88.98769	0.7
93.03440	0.8
97.02946	1.0
99.00893	0.6
104.50500	0.6
109.02951	4.6
110.00087	0.8
111.00874	2.3
119.05038	0.6
121.02955	1.8
121.71247	0.5
123.00880	0.9
125.02445	1.0
135.00841	1.0
136.98792	3.2
137.02431	7.1
138.48172	0.6
139.00354	2.3
139.03949	0.7
139.56796	0.5
141.01932	3.5
147.04507	11.4
147.36385	0.5
148.47757	0.5
153.01921	43.7
154.02197	1.1
163.03999	1.4
165.01910	6.5
165.98970	1.1
166.02719	2.3
167.03479	1.7
167.52887	0.6
177.05481	0.6
179.03442	1.7
181.01411	60.8
182.02185	42.1
183.02960	39.3
184.03343	1.0
191.03436	1.2
193.05035	0.5
195.02921	0.7
205.05022	2.3
207.02977	5.3
209.04527	2.2
217.08719	0.8
219.02940	0.7
225.03983	1.1
229.05142	0.8
233.04471	4.8
233.08034	1.1
235.09734	6.9
249.03970	1.5
251.09181	1.5
253.17790	0.6
262.08408	12.0
263.09174	9.7
264.09836	0.7
272.69464	0.7
279.08701	13.2
285.06146	1.0
294.11093	3.6
295.11771	1.3
309.06030	0.7
327.07172	100.0
328.07510	4.7
413.24371	0.7
425.14447	11.2
457.17093	26.3
458.17218	1.3
475.12296	8.4
475.18304	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	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23038	0.7
58.02903	0.7
59.01377	3.7
70.82944	1.5
70.83336	1.5
71.01390	1.0
79.05534	1.8
81.03461	5.4
83.01382	6.0
95.04997	3.2
99.04533	1.1
105.03463	21.7
107.01397	0.8
117.03446	5.6
119.05013	10.5
120.01244	1.0
121.02934	0.9
122.50575	0.8
123.04521	13.4
125.02435	5.8
131.01373	2.6
135.04535	0.8
137.06055	3.2
138.55234	0.8
139.03975	1.0
145.02945	18.1
146.03232	1.0
146.70258	0.7
147.04482	2.4
148.01668	1.4
149.02432	74.0
150.02757	2.2
163.04004	7.6
165.05528	1.8
167.03485	51.8
168.03836	1.2
173.02423	1.2
175.00339	9.3
179.03482	2.9
189.05667	0.8
191.03494	100.0
192.03857	3.1
193.05061	1.0
205.04997	3.0
209.04536	37.7
210.04916	1.5
221.04497	1.6
227.03438	1.0
231.17961	0.8
233.04544	29.4
234.04865	1.4
239.05605	7.7
252.94810	0.8
255.02994	1.0
284.03259	1.4
307.08322	2.1
311.07455	8.2
323.09024	1.0
329.08737	18.1
413.12640	1.5
431.13553	1.5
451.78348	0.8
475.12503	37.3
476.12827	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55769	0.4
58.49881	0.4
59.01374	1.8
61.98818	0.7
69.93895	0.9
69.94307	1.2
70.87509	0.4
71.01389	0.5
78.95900	34.7
94.11780	0.3
96.96959	1.4
103.61758	0.4
104.63911	0.5
122.00117	0.9
140.01198	6.9
152.99550	4.3
156.38898	0.4
171.00633	1.7
196.03775	12.7
214.04892	2.2
230.02365	0.4
233.22925	0.4
237.71089	0.3
249.23187	0.4
259.20596	0.8
277.21692	100.0
278.22003	6.0
457.26340	0.5
474.26218	46.0
475.26416	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	475.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85583	2.5
71.01375	14.7
72.99309	3.3
85.42123	0.6
87.00887	1.1
88.18794	0.6
89.02441	1.9
115.00368	43.3
133.01425	100.0
133.05052	8.1
134.01772	1.1
171.90671	0.9
222.31387	0.7
301.16550	0.6
350.47974	0.7
415.14575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94835	0.5
59.01375	9.5
61.54288	0.5
61.98828	1.5
69.39195	3.9
71.01384	3.4
73.02924	0.8
80.02659	0.6
83.01425	0.7
85.02962	1.8
88.98786	1.2
89.02454	1.6
93.03451	1.2
98.20660	0.7
101.02470	1.5
105.03425	0.7
108.02175	30.4
113.02422	2.3
115.55161	0.6
117.03460	8.5
117.45501	0.5
119.03526	0.8
119.05033	5.4
121.02938	1.0
123.04536	14.2
133.02986	1.0
137.02452	1.2
145.02954	55.2
146.03294	1.7
149.02463	3.0
151.00467	0.8
151.04013	1.2
152.01152	68.9
153.01509	1.7
153.17851	0.6
161.02428	3.1
163.04013	4.2
167.03493	100.0
168.03783	3.3
175.03960	0.7
177.01895	1.2
182.02257	1.0
185.05882	0.6
187.03999	1.6
203.03523	1.0
203.61469	0.6
211.07610	1.7
212.08043	0.8
219.03014	1.1
227.03398	1.0
227.07082	1.6
228.07520	0.8
229.05008	2.7
229.27136	0.7
255.02997	0.9
281.06754	0.6
284.03500	0.8
285.03983	1.4
300.02707	0.6
301.03522	1.5
307.08212	41.5
308.08487	2.6
312.02771	0.7
313.06671	2.8
347.41980	0.6
415.23438	1.1
417.08221	1.1
475.12228	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40499	1.4
59.01377	100.0
61.98828	7.4
69.20287	13.8
71.01382	7.0
83.05019	2.3
85.02934	2.6
89.02431	8.6
99.04514	36.0
101.02424	3.8
113.02441	5.9
119.03468	2.9
121.02967	2.1
123.04496	2.9
125.80694	1.7
134.04721	3.1
136.37366	1.5
137.19876	1.3
151.11269	14.2
161.04480	2.8
167.03479	1.5
179.05577	1.9
188.93367	1.3
189.16597	1.4
207.17458	2.6
211.13425	1.4
217.83911	1.3
251.16521	26.2
254.05846	7.8
268.72946	1.4
269.08163	6.8
307.07758	1.5
473.14816	2.6
473.21347	2.6
473.27728	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25831	0.2
54.66420	0.1
59.01380	0.9
59.20835	0.1
61.43309	0.1
61.97504	0.2
71.00150	0.2
71.00463	0.2
71.01376	0.2
78.95901	6.6
83.05029	0.2
91.99668	0.1
106.94501	0.2
122.00095	0.2
127.07597	0.2
140.01178	2.9
152.99603	0.9
171.00635	0.2
196.03807	1.4
205.19600	0.2
214.04863	3.6
218.50839	0.2
233.22684	0.4
259.20654	0.5
273.78043	0.2
275.20010	0.5
277.21695	100.0
278.22055	6.3
457.25717	0.8
474.26208	13.3
475.26889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60464	0.5
53.06341	0.5
54.68761	0.5
59.01375	100.0
61.98857	0.7
70.60329	1.8
78.95898	0.7
134.04727	1.4
182.02141	0.5
183.02885	0.6
184.02628	0.6
195.36803	0.5
269.08099	0.6
359.20590	0.6
366.01608	0.6
473.19693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80474	0.6
57.03439	1.6
59.01377	50.1
61.98830	7.0
69.03452	1.6
70.71291	1.4
71.01376	2.5
71.05029	0.9
85.02926	1.1
88.94994	0.5
89.02456	1.2
95.81245	0.7
99.04521	5.6
101.02459	1.5
113.02439	1.7
117.88278	0.6
121.02964	1.3
128.03514	0.6
128.47629	0.6
137.76114	0.5
140.00558	0.5
161.04543	1.1
165.01974	3.1
179.14369	0.8
181.12476	0.8
182.02216	0.7
183.03021	0.6
211.13321	1.4
221.00824	0.8
251.16502	100.0
252.16884	5.3
254.05881	1.4
269.04660	1.1
269.08011	1.4
271.26321	0.6
293.17639	0.8
296.67694	0.6
327.05008	1.5
342.86090	0.6
413.21924	1.1
441.13983	2.7
473.10693	1.3
473.16376	1.1
473.22061	0.8
473.28040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.4
59.87590	0.7
61.98828	5.3
68.86401	0.6
71.01372	2.3
71.05018	0.6
71.53221	0.8
73.02950	0.9
78.95947	0.7
83.01379	2.8
85.02939	1.3
87.13934	0.6
89.02439	0.9
91.05570	0.6
99.00897	0.8
99.04508	2.5
101.02448	0.9
111.00827	0.8
113.99014	0.7
121.02914	1.6
121.06611	1.0
137.02397	1.8
139.04054	1.3
141.01939	3.7
151.03880	0.6
153.01909	2.5
161.04544	1.2
165.01926	10.4
166.02544	1.0
167.03491	4.1
167.89734	0.6
170.34863	0.7
175.02422	0.7
177.94902	0.6
178.72951	0.6
179.03464	2.0
181.01460	1.9
181.05034	1.1
182.02147	3.9
183.02991	3.5
193.05038	4.2
195.02954	9.0
196.03696	0.9
207.02965	1.8
207.06607	13.2
209.04553	3.3
209.08168	0.9
211.13361	0.7
220.99036	1.0
221.00879	4.2
221.04510	8.7
221.08131	1.5
222.01709	1.3
222.04932	0.7
223.09734	2.9
233.00607	0.6
233.08125	1.2
235.02420	2.3
235.06088	20.3
235.09705	0.8
236.06398	1.6
237.04030	6.4
237.07709	2.6
237.14984	1.0
239.09131	0.8
249.04015	2.7
249.07639	4.8
250.08456	8.9
251.09183	6.3
251.16495	17.2
252.06290	4.6
253.06963	0.7
254.05847	1.8
261.07617	1.4
265.10907	0.9
277.07150	1.5
278.07950	6.1
279.08698	8.1
280.09293	1.2
281.06598	2.6
281.10074	1.5
293.10345	1.1
295.08188	2.2
309.09735	1.7
310.10553	64.4
311.11313	32.0
312.11646	1.2
335.11420	0.8
441.14026	15.0
455.15118	0.9
455.20917	1.1
473.16589	100.0
474.16907	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	473.1444
Annotation	Peperomin F
Peak:m/z	Relative Intensity
59.01380	2.3
60.99279	0.4
61.98818	0.8
67.39853	0.4
69.50606	2.5
71.01384	0.7
73.09181	0.4
92.68246	0.4
97.07147	0.3
173.38531	0.4
177.20648	0.4
182.02156	0.4
211.13361	0.7
214.08089	0.4
225.05553	11.8
226.06247	2.0
238.06348	1.0
239.07109	1.7
243.81110	0.4
254.05827	100.0
255.06244	6.5
257.99277	0.4
267.06628	1.6
268.07388	11.9
269.08170	85.2
270.08450	4.2
278.05908	0.4
311.09314	0.9
398.10165	1.0
413.12378	9.9
414.12628	0.7
428.52716	0.4
431.13107	0.5
458.12161	0.7
473.14523	49.6
473.21313	2.7
474.14767	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48277	0.6
59.01381	7.0
61.98830	2.9
68.43933	0.6
70.49703	0.8
70.50039	1.4
71.01367	1.3
80.08145	0.7
83.01375	0.9
87.00857	0.6
89.02441	1.1
101.02434	0.6
121.02977	0.7
135.04558	0.7
137.02461	1.1
141.01950	1.7
143.66856	0.6
153.01950	1.9
161.02371	0.8
165.01936	1.2
165.05518	0.8
167.03448	4.1
179.03465	2.4
181.01401	2.1
182.02200	4.5
183.03030	4.4
191.03508	1.2
193.05069	3.8
195.02989	10.9
196.03761	1.8
207.03056	4.1
207.06624	9.2
208.03793	0.9
209.04564	2.0
209.08185	1.9
211.13388	1.1
221.04536	5.0
223.09752	0.9
234.05182	0.7
235.06110	26.6
236.06769	1.2
237.04010	3.1
237.07643	2.0
239.09267	0.7
249.03960	2.0
249.07677	3.6
250.08485	5.2
251.09149	1.8
251.16568	1.7
252.06351	7.1
254.05907	1.6
261.07669	1.4
265.10791	1.5
269.05005	0.7
269.08020	1.2
277.07156	1.4
278.07983	5.0
279.08765	7.5
281.06705	1.5
281.10300	1.2
281.22659	0.7
293.10168	1.0
295.08179	3.7
309.09900	1.8
310.10556	60.3
311.11313	30.8
312.11713	1.4
397.11832	0.7
441.13986	2.7
473.16599	100.0
474.16983	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	473.108
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.12719	0.1
59.01374	0.6
61.73597	0.1
61.98822	0.8
69.31670	0.5
69.32078	0.1
71.01384	0.2
96.96039	0.1
98.19841	0.1
101.02427	0.1
113.65975	0.1
121.02931	0.2
133.02937	0.3
134.03731	0.1
135.04556	0.1
143.04672	0.1
153.07117	0.1
161.02451	0.7
169.06554	0.2
179.04881	0.1
180.05815	0.4
181.06560	1.4
182.03758	0.2
185.05984	0.1
188.03528	0.3
196.05161	0.1
197.06061	1.6
201.05663	0.1
207.04521	0.3
207.06343	0.1
209.06065	0.2
210.03238	1.1
211.13487	0.1
212.04729	0.3
213.05516	0.4
219.54251	0.1
224.04765	0.7
225.05548	18.8
226.05884	0.8
227.03513	0.6
227.06908	0.2
237.05557	0.8
238.05983	0.1
239.07100	0.1
240.04263	7.2
240.57205	0.1
241.05026	4.1
242.05515	0.1
251.16624	0.1
253.05099	0.7
254.05847	0.5
255.06612	0.4
261.05524	0.2
265.05038	1.7
266.05463	0.1
267.06567	0.2
268.03778	0.3
269.04520	100.0
270.04855	5.1
280.03732	0.3
281.04608	0.2
282.05359	0.9
283.06113	0.4
293.04532	1.6
295.05978	0.1
306.07770	0.1
311.05569	1.8
312.05704	0.1
318.13400	0.2
323.07629	0.3
357.49487	0.1
431.09927	0.1
455.09558	0.2
473.10828	56.1
474.11200	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	472.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33799	0.6
59.01360	0.7
59.96551	0.5
68.39332	0.5
70.26383	1.8
71.01334	0.7
76.24258	0.6
79.01886	2.2
83.01387	0.8
84.56099	0.5
96.27930	0.6
98.01810	0.7
104.92633	0.6
109.03003	0.6
114.05598	1.4
116.37321	0.6
125.02421	0.8
137.02423	3.9
138.03217	29.7
139.04004	1.6
149.04405	0.6
151.00336	1.1
153.01915	0.7
156.93265	0.6
164.07076	0.6
165.01859	0.7
166.02707	11.0
167.03479	11.8
170.02209	9.0
182.02170	1.8
183.02991	1.4
186.44556	0.8
194.02185	39.4
195.02954	10.3
226.01056	0.6
297.69070	0.6
345.08237	1.6
357.08240	100.0
358.08423	5.4
446.55890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
65.00323	1.0
67.01899	0.6
68.99835	0.8
69.03449	0.7
70.86480	0.9
79.01884	1.2
80.02679	0.5
80.40158	0.4
81.03455	1.3
83.01389	3.5
93.03446	1.0
95.01379	2.7
95.05054	0.6
97.02937	0.9
107.01386	2.0
109.02946	1.6
111.04498	1.0
121.02959	3.7
122.67178	0.5
123.00883	15.9
123.04527	1.6
124.01667	9.3
125.02447	28.3
126.02836	0.5
137.02438	1.5
139.00352	1.4
139.04007	13.8
149.02449	5.8
151.00371	9.3
151.03981	1.3
153.01932	31.0
165.01959	2.6
165.03145	0.6
166.02721	8.2
167.03491	100.0
168.03807	1.7
169.01416	41.7
170.01772	0.8
177.01930	5.0
183.02939	1.3
193.01393	1.4
195.03001	1.9
200.40984	0.5
256.50867	0.5
273.04041	1.0
275.05280	0.6
285.04108	0.6
300.91159	0.4
303.05072	1.5
316.40735	0.5
319.04559	71.1
320.04840	5.0
321.06165	0.5
339.89316	0.5
347.03940	0.5
473.07358	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	471.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01381	1.8
61.98818	1.9
65.00317	0.4
69.56464	2.0
71.01377	1.8
73.02946	0.5
81.48130	0.4
83.01399	0.5
85.02958	0.6
89.02454	1.1
93.03436	0.9
101.02418	0.8
101.44917	0.4
105.65249	0.3
107.01402	0.9
109.02956	0.7
113.02474	0.6
117.03458	5.1
119.05022	100.0
120.05351	2.8
121.02941	0.4
124.01700	0.5
125.02440	7.3
133.02965	0.5
135.04498	0.3
137.02454	1.2
139.04012	0.7
145.02943	22.7
146.03278	1.0
147.00888	0.8
149.02466	0.3
151.00330	2.5
152.01128	1.0
153.01901	2.1
159.04596	0.6
161.02458	1.3
163.03999	95.2
164.04321	3.4
165.01935	1.3
167.03600	0.6
175.00366	3.1
175.13916	0.3
176.95107	2.1
178.99846	2.8
181.01392	0.7
182.02194	0.4
187.04002	1.9
191.03520	1.7
193.01402	22.1
194.01659	0.6
205.04980	0.4
215.03537	0.9
233.04485	0.5
257.04517	0.9
301.03525	3.6
306.73102	0.4
307.08212	14.6
308.08542	0.9
319.04541	5.7
386.22559	0.4
427.12646	0.4
471.06546	0.7
471.12781	4.9
472.13565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
60.15894	1.4
65.00339	1.3
69.40327	3.4
69.40747	8.8
71.01363	2.7
84.94279	1.7
89.02428	3.5
91.05534	35.1
96.69948	1.6
101.02410	1.9
105.98570	1.8
109.02950	2.1
115.87379	1.4
119.03481	2.3
120.35901	1.3
125.02425	2.6
133.01443	1.8
133.02948	4.0
135.04494	5.6
161.02405	5.9
163.04005	100.0
164.04292	5.6
179.03613	1.4
181.01430	2.4
181.05045	1.9
183.02927	1.5
289.07169	7.9
309.11847	10.6
466.91467	1.5
471.14728	4.8
471.20380	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41772	0.4
55.65948	0.4
59.01369	0.9
61.98837	0.5
69.03458	0.8
70.99944	0.7
71.01378	0.9
77.03966	0.7
81.03424	0.5
83.01353	2.3
85.02956	0.4
86.22361	0.4
93.03426	0.5
95.01341	1.0
97.02976	0.9
99.00853	1.3
109.02918	0.6
110.00091	1.2
111.00870	2.9
111.04449	0.5
112.04104	0.4
113.02475	0.6
121.02935	1.6
123.00867	0.5
123.04536	0.5
125.02473	0.6
127.79373	0.4
136.98781	0.5
137.02440	5.3
139.00360	2.9
139.03999	1.1
140.01154	1.1
141.01939	3.1
143.10767	1.9
151.04025	1.2
153.01903	4.2
164.01173	0.5
165.01895	7.8
165.41988	0.5
165.99059	2.9
166.02669	0.6
166.99829	1.4
177.01929	0.8
181.01427	7.0
182.02193	100.0
183.02960	81.0
184.03294	1.9
193.05098	0.5
194.02240	0.8
195.02992	1.3
232.50189	0.4
306.49966	0.5
327.07233	1.4
378.11258	0.4
471.18665	74.1
472.18945	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34496	0.2
51.68348	0.2
52.83192	0.2
59.01377	0.9
62.86636	0.2
64.45135	0.2
64.50517	0.3
67.41338	0.2
71.01372	1.2
73.02935	0.4
74.26427	0.2
75.56154	0.2
85.02959	0.7
89.02473	0.3
93.03478	0.8
95.01402	0.3
98.20683	0.5
101.02442	0.9
113.02474	0.9
117.03461	19.3
119.05023	78.5
120.05348	1.9
121.02955	0.3
123.04504	0.3
131.05002	0.4
133.06639	0.4
145.02946	100.0
146.03297	3.3
159.04495	0.9
161.06093	0.6
162.03224	0.3
163.04001	88.7
164.04350	2.8
187.03975	2.9
205.04976	0.4
211.07597	0.3
211.13425	0.4
229.84042	0.3
252.64273	0.2
271.06158	0.4
307.08203	52.1
308.08511	2.9
325.09250	0.6
341.06491	0.3
471.12921	5.2
472.13110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44896	0.5
54.00600	0.6
59.01385	1.7
59.57166	0.5
71.01379	1.3
93.03428	0.6
98.41384	0.5
113.02463	1.2
117.02650	1.0
117.03464	17.8
118.03799	0.6
119.05025	71.2
120.05358	1.4
121.02906	0.8
145.02950	100.0
146.03302	2.9
161.06056	0.6
163.04005	88.8
164.04333	2.7
167.61879	0.5
167.96700	0.5
187.04012	3.5
303.81964	0.6
307.08221	49.9
308.08524	2.5
315.32993	0.5
471.12915	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47018	0.3
59.01384	1.0
69.97759	0.5
69.98158	1.0
71.01373	0.8
73.02945	0.4
74.80048	0.3
82.88950	0.3
85.02946	0.6
89.02448	0.5
93.03464	1.0
101.01493	0.3
101.02464	0.8
108.71186	0.3
113.02446	0.7
117.03461	20.5
118.03815	0.5
119.05024	75.0
120.05357	1.8
121.02974	0.6
123.04560	0.4
131.04997	0.4
133.06615	0.6
145.02948	100.0
146.03290	2.8
158.03726	0.5
159.04512	1.7
161.06085	0.5
162.03160	0.3
163.04004	83.2
164.04361	2.3
187.03981	4.0
189.02034	0.3
190.61557	0.4
248.50540	0.3
307.08212	48.8
308.08591	2.8
325.09039	0.4
454.03055	0.3
471.12900	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	469.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03518	0.6
67.69694	0.6
69.73960	3.1
79.95737	9.1
80.96485	0.6
82.91300	0.6
84.74616	0.6
94.98096	0.7
95.95223	2.2
96.96011	62.4
98.19960	0.6
122.97566	3.8
340.86694	0.6
469.28360	100.0
470.28625	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	470.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98829	100.0
65.89325	0.3
69.44511	1.8
71.01373	0.5
101.02452	0.4
103.03993	0.5
163.06145	0.5
197.94389	0.3
246.96347	0.3
249.87936	0.4
262.11240	0.3
410.19791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51646	0.5
59.01368	2.1
61.16563	0.5
61.98834	5.0
63.02386	1.5
65.00312	2.2
71.01373	0.9
83.01386	1.2
93.03452	4.4
96.98695	0.6
101.02451	1.1
103.58917	0.5
107.01388	5.5
119.05024	17.5
120.05379	0.7
125.02432	1.1
133.02969	0.9
137.02396	0.6
151.00360	24.2
152.00729	0.7
160.01622	0.9
161.02423	1.9
165.01897	1.2
175.03964	0.7
177.01967	4.0
209.43382	0.6
227.07253	0.6
263.14935	1.0
271.06107	100.0
272.06445	6.4
293.12430	0.7
313.07211	0.7
327.07410	0.8
398.15747	0.6
409.20667	1.8
428.43692	0.7
433.11453	6.0
469.20993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01386	2.7
61.98814	2.7
70.24120	0.5
71.01377	2.4
71.51622	0.5
74.99082	0.7
80.06934	0.5
83.01392	1.7
85.02944	1.4
89.02431	1.1
90.35252	0.6
97.84871	0.5
99.00885	0.7
101.02414	0.8
102.13227	0.5
109.02972	1.1
123.04533	0.6
125.02467	3.6
135.04535	2.3
137.02446	2.8
138.03227	16.1
145.02911	0.7
150.79335	0.6
151.00354	1.2
151.04008	2.3
161.02429	2.9
163.03958	0.6
165.01883	2.2
166.02705	13.6
167.03497	8.6
170.02190	8.9
175.03978	0.6
177.01915	1.3
179.03465	1.4
182.02135	0.9
183.03017	0.6
192.00536	0.8
194.02194	28.7
195.02946	12.6
205.01376	0.7
207.02901	0.7
217.01346	0.9
221.00925	2.9
221.04474	0.7
222.01682	92.5
223.02451	61.9
224.02771	1.8
226.01149	1.8
241.91824	0.6
247.08197	1.2
247.99661	1.1
270.68469	0.6
289.07166	0.9
306.03851	6.6
307.04193	0.6
323.13303	0.7
341.08728	0.7
345.08163	1.3
357.08337	1.2
385.07736	41.5
386.08109	3.0
411.05624	0.8
433.11285	1.1
469.09814	100.0
469.14874	3.8
470.10223	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	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
59.08166	0.4
61.98827	100.0
65.23852	0.4
66.36057	0.5
70.67259	0.4
71.01378	0.7
71.52789	0.5
78.95888	0.7
83.01414	0.5
85.20722	0.4
87.00887	1.5
112.98811	8.7
127.00384	0.6
129.01898	0.5
139.03946	0.4
142.76791	0.4
145.01498	0.9
154.99844	3.2
158.34715	0.5
169.49001	0.4
183.13916	0.6
195.14131	0.5
213.14938	5.6
239.24045	0.4
285.04056	0.4
286.04678	0.4
294.53915	0.4
301.54605	0.5
341.16077	1.4
369.15479	4.7
370.16028	0.4
432.10007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
61.98827	100.0
62.38009	0.9
68.92793	0.9
69.44599	6.4
69.45009	2.4
71.01367	1.2
75.00887	1.2
78.95885	1.5
81.46952	1.1
83.01411	2.4
87.00864	1.6
94.92973	1.3
96.95991	3.2
108.65272	1.2
111.00919	1.1
112.98811	21.3
133.06966	1.9
135.04529	2.4
154.99831	8.0
161.02391	4.5
179.03502	1.6
183.13931	1.3
211.13139	1.1
213.14949	13.2
247.13402	2.0
341.15924	2.5
350.31815	1.2
369.15616	8.9
370.15546	1.1
457.45309	1.1
468.20102	2.3
469.15686	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
60.01715	0.5
61.01808	0.5
61.98828	100.0
69.70975	0.5
69.71381	1.5
71.01407	0.6
80.99256	0.3
86.00906	0.3
86.31639	0.3
89.02443	0.6
101.02477	0.4
102.25951	0.3
113.02451	0.5
125.02427	0.6
126.90484	0.6
130.91550	0.4
161.02458	0.3
194.97047	0.3
220.13315	0.5
262.14474	0.6
301.11060	0.4
306.07028	1.0
411.19296	0.4
468.12283	0.5
468.18719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30013	0.2
59.73888	0.2
61.98828	100.0
64.53889	0.2
69.56404	1.7
87.00874	0.3
91.84428	0.3
96.33304	0.3
104.17558	0.3
112.98821	2.5
140.65294	0.3
143.55043	0.3
154.99869	0.7
213.14899	1.2
325.16916	0.3
369.15656	1.0
370.16620	0.3
374.56464	0.3
442.68201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88558	0.3
55.06805	0.3
59.01370	0.3
61.29105	0.2
61.98826	100.0
63.62481	0.3
70.71162	0.8
99.39981	0.2
105.57388	0.3
137.02522	0.3
162.39130	0.3
179.54155	0.3
191.66907	0.3
219.63000	0.3
243.06714	0.4
272.02716	0.3
317.02994	2.6
318.03308	4.3
335.05746	0.3
468.07159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
61.98829	100.0
71.01375	0.7
74.78626	0.5
83.01384	0.9
87.00896	0.6
89.90923	0.5
100.21150	0.5
107.24794	0.5
112.98840	1.9
117.03462	0.5
121.02972	4.6
127.16621	0.6
137.02399	0.5
152.59286	0.5
154.99896	1.0
158.83932	0.6
179.38629	0.6
213.15001	0.9
317.03091	1.5
318.03424	2.3
405.12024	0.8
432.10489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.1
59.01376	19.5
61.98820	6.6
71.01373	25.4
78.95898	19.3
83.01366	8.4
85.02954	29.7
87.00871	65.5
94.11767	4.0
98.20700	6.8
101.02469	5.4
108.61115	4.2
111.08133	14.4
115.00368	62.9
119.03473	4.8
129.01875	5.6
157.01396	32.8
158.77873	3.7
169.12328	4.3
175.02473	29.1
185.70802	3.9
197.11794	61.4
211.13347	7.4
255.03067	5.8
291.19626	11.0
306.47617	4.1
309.20651	49.2
310.20981	5.7
431.09573	4.2
449.08557	10.0
467.17117	4.3
467.22797	100.0
468.23300	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	467.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15045	1.4
62.39255	1.5
65.83196	1.4
71.07549	2.1
78.95897	43.8
78.96329	2.7
79.19184	1.5
96.96986	3.2
134.55550	1.7
152.99571	61.4
156.75034	1.5
162.97145	1.7
164.20645	1.5
171.00645	17.5
176.96954	1.7
183.08437	1.5
188.92377	1.5
197.95416	1.5
209.57486	1.4
213.01611	2.7
227.03296	3.5
239.20131	75.0
240.20459	4.1
245.04285	100.0
246.04663	4.1
253.21928	1.8
291.06235	1.5
311.29590	1.6
335.65933	2.1
431.10590	1.9
467.17496	3.0
467.24066	55.8
467.31512	39.4
468.24130	5.8
468.31747	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	468.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93388	0.3
57.93788	0.3
59.01377	1.0
61.98827	100.0
70.23553	0.3
71.01380	0.5
81.27676	0.3
94.87108	0.3
96.96004	0.8
96.96930	0.6
99.04565	0.3
113.02478	0.6
115.90566	0.3
133.02940	1.1
136.04918	0.3
137.83783	0.3
161.02403	2.8
162.02765	0.5
229.55995	0.4
255.03072	0.6
270.84073	0.3
281.75647	0.4
284.03226	0.6
285.04004	0.8
286.04440	0.5
307.14331	0.7
417.56689	0.4
431.09744	0.6
432.10385	1.2
468.20087	0.7
469.21243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98815	2.4
65.36343	1.1
68.99567	5.4
69.13399	11.6
98.19881	2.3
112.98540	4.4
133.86526	1.4
152.99631	1.2
172.16473	1.1
211.07661	2.4
213.05519	4.7
226.06227	2.2
239.20097	4.4
254.05830	71.3
255.06586	68.1
256.06918	4.1
279.06555	3.9
291.06580	53.0
292.07056	4.6
293.08060	1.5
331.48358	1.2
363.16193	1.4
389.88043	1.1
423.18079	15.0
424.18439	1.8
449.19650	100.0
450.19904	8.7
467.21011	5.0
492.84113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Cardivin B
Peak:m/z	Relative Intensity
55.52812	1.9
57.03439	2.4
59.01371	13.0
61.98820	4.5
67.01876	2.1
67.72927	2.4
70.42344	5.6
71.01373	18.5
72.99296	3.3
78.95895	8.6
83.01382	4.3
85.02951	28.7
87.00332	3.3
87.00872	57.2
100.04046	4.2
102.18237	1.8
104.15431	1.8
111.00887	2.6
111.08128	8.8
113.02440	3.0
115.00371	51.3
129.01913	5.6
157.01413	28.2
169.12332	3.6
174.01759	3.0
175.02490	24.3
197.11810	50.7
199.13394	2.2
209.67627	1.8
211.13356	3.4
211.63768	2.4
212.52043	1.6
215.28488	1.9
249.34750	2.0
270.05075	2.0
284.03082	2.2
285.19431	2.1
291.19580	8.4
309.20685	46.5
310.20932	3.2
449.09070	3.4
467.22803	100.0
468.23053	6.0
476.51846	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	467.1193
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03448	5.4
59.01371	1.8
61.98835	5.2
67.69027	0.7
69.18108	0.7
69.63805	4.9
69.75891	0.8
70.24177	0.7
71.01379	1.3
75.00846	0.8
81.03443	2.5
83.01387	5.7
88.98775	1.3
89.02411	0.9
93.03453	2.4
95.01398	1.7
95.05012	1.7
97.02948	3.3
98.19965	0.8
109.02961	10.9
111.04498	2.0
115.00349	1.4
121.02944	3.4
123.00882	6.0
123.04544	1.8
124.01641	3.4
125.02446	96.9
126.02766	1.8
127.89142	0.7
129.76712	0.7
133.01405	1.7
133.02942	1.9
135.01878	0.9
135.02928	1.5
135.04492	1.9
137.02444	29.3
138.03314	3.7
139.04008	15.6
147.04521	0.9
149.02435	2.2
149.04524	1.1
149.06075	2.1
151.03967	2.2
153.01881	1.0
159.04555	1.6
161.02440	14.0
161.42621	0.7
163.04030	0.9
164.01180	6.6
165.01926	21.5
166.02663	1.3
167.03493	30.7
168.03940	1.0
169.01379	3.3
170.02176	0.9
175.03986	2.8
176.04565	1.1
177.01970	6.0
177.05577	4.5
178.02675	1.7
179.03488	17.4
180.04022	0.8
189.05629	0.9
191.03549	1.3
191.07118	2.6
193.05063	0.7
195.03004	1.3
201.05577	1.6
203.03511	4.3
204.04189	3.2
215.07159	1.2
217.05148	0.8
218.05827	1.5
219.06590	17.8
221.04539	9.1
221.46794	0.8
237.07776	0.9
243.06602	2.0
245.04523	0.9
261.07648	12.8
263.05521	1.0
273.02264	0.9
287.05389	5.3
289.07016	1.7
305.06653	100.0
306.06937	4.6
329.08972	4.3
423.12766	2.9
432.67719	0.7
467.11841	75.1
468.12271	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	466.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87186	0.3
55.59908	0.3
57.03436	0.3
59.01382	1.8
61.98828	100.0
63.01307	0.3
71.01379	1.1
78.91901	0.4
85.02966	0.6
88.41156	0.3
88.98828	0.5
95.01350	0.4
98.52103	0.3
101.02428	0.6
109.02980	0.4
111.00880	0.7
113.02454	0.5
114.95318	0.3
120.01133	0.3
123.00874	0.7
125.02450	2.5
126.02788	0.7
139.00378	0.8
140.01173	2.5
141.01955	8.0
142.02269	2.9
143.52208	0.3
145.09467	0.3
145.73482	0.3
151.00388	0.9
152.00917	0.5
153.01775	0.3
156.11053	0.4
161.02397	0.4
161.04849	0.5
161.06084	2.1
162.06407	1.7
167.03516	0.3
167.55020	0.3
175.04097	0.6
175.80817	0.3
177.01978	0.9
177.05473	0.4
208.03780	0.7
209.04451	1.1
210.04945	0.4
217.05028	1.0
218.05429	1.3
227.21980	0.3
235.82515	0.3
241.09917	0.5
244.11702	0.3
245.04327	1.1
246.04926	1.4
258.13373	0.6
268.11597	0.5
272.02551	0.4
274.03214	0.5
285.04233	0.5
285.12323	1.3
286.04477	1.4
286.12686	1.5
301.02383	0.4
302.02881	0.9
303.07520	2.5
304.07861	2.4
357.06256	0.4
371.09808	0.5
372.10056	1.6
389.33374	0.3
406.16183	0.4
448.18008	2.0
466.15375	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	467.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24957	0.6
56.95808	0.6
58.26501	0.5
61.36847	0.5
61.85713	0.6
63.04512	0.7
69.28868	2.8
69.29295	2.5
93.03414	0.8
94.72960	0.6
99.36608	0.6
100.60688	0.5
107.01413	0.8
126.42131	0.6
130.57845	0.6
135.00833	0.9
150.61870	0.7
151.00378	1.5
163.00325	1.3
185.06082	1.0
187.03993	2.0
197.06062	0.7
211.03880	1.9
213.05539	1.0
227.03476	25.4
228.03928	1.0
229.04980	5.6
239.03508	1.1
241.04926	1.0
255.02968	45.0
256.03592	4.5
257.04666	3.3
267.03339	0.7
284.03244	59.1
285.04010	62.9
286.04285	4.3
327.05161	0.7
348.50281	0.6
431.09790	100.0
432.10132	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	467.0982
Annotation	Cadensin G
Peak:m/z	Relative Intensity
53.19994	0.4
59.01384	0.9
59.73195	0.4
61.98827	1.9
65.00321	17.7
67.01885	1.8
68.99823	0.7
69.03472	0.4
70.74363	1.2
83.01382	9.8
84.99298	0.7
87.00875	2.9
90.36369	0.4
99.00874	0.7
104.55412	0.4
107.01385	2.5
109.02976	0.5
111.00881	1.0
121.03027	0.4
124.01656	62.7
125.02054	1.1
137.02428	1.6
139.00406	0.5
141.01921	0.5
152.01143	37.5
153.01942	2.3
155.31927	0.4
156.00641	26.2
159.11540	0.4
165.01956	0.8
183.02979	3.5
186.39430	0.5
231.45284	0.4
240.04240	0.4
241.33928	0.4
241.89067	0.4
254.05806	5.7
266.05515	0.4
269.08160	4.4
278.05814	4.5
279.06168	0.5
285.03961	0.5
291.06546	0.9
293.04572	1.3
293.08157	1.7
294.05286	3.5
302.05740	2.5
304.07364	1.1
306.05243	1.3
307.05978	0.5
309.07526	2.2
315.06656	0.7
316.07300	1.1
317.04462	0.6
317.07901	0.9
319.06088	0.7
321.07690	0.7
322.04666	0.7
330.05118	0.4
331.06088	1.2
332.06735	0.6
344.06790	6.3
345.07501	0.8
347.05469	0.7
347.09222	1.3
359.09177	12.1
359.13422	0.7
360.09805	0.7
362.07776	0.5
373.03415	0.9
375.08588	2.2
388.05847	1.3
403.08279	1.4
406.06955	0.5
421.09238	28.5
422.09592	2.8
431.08127	0.9
449.08731	100.0
450.09097	9.5
467.09781	25.9
468.10254	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	465.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.6
61.98820	9.5
71.01345	1.5
72.05980	1.2
74.57791	1.3
78.95903	100.0
96.96967	6.2
105.76436	1.2
115.00393	1.3
137.02397	1.4
145.02960	1.5
152.99580	73.2
165.01895	3.1
171.00578	2.5
175.02406	1.9
208.03362	1.3
267.19739	1.4
284.06854	3.3
285.12521	1.9
295.89276	1.5
302.07779	2.2
355.52185	1.5
447.12671	2.0
447.18118	1.7
465.14029	7.6
465.18927	25.0
465.26944	3.7
466.19748	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	465.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08625	0.5
59.01374	4.7
60.99304	14.2
61.98838	1.0
63.64654	0.6
71.01387	1.0
71.53588	1.0
88.98804	100.0
89.02444	13.5
89.99100	0.6
101.02431	0.6
114.87908	0.6
117.03470	0.8
125.02444	0.9
135.04517	1.2
136.05313	1.2
145.02946	2.1
149.06035	0.9
158.77562	0.6
165.02002	0.8
175.78928	0.5
179.03485	0.9
182.02187	0.8
183.02937	0.9
193.05009	0.7
207.83372	0.6
211.13347	4.6
259.17087	0.6
289.07208	1.5
303.15961	2.4
341.06631	0.6
415.26358	0.6
465.21625	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
58.28360	0.3
59.01377	100.0
60.01719	0.5
60.93090	0.4
61.98824	0.9
69.66866	1.6
71.01377	6.4
85.02949	1.0
89.02442	11.1
89.29831	0.4
93.03460	0.4
95.27318	0.4
101.02435	3.9
113.02453	3.0
119.03501	5.0
125.02483	0.8
131.03503	0.8
139.04019	1.1
141.01976	1.0
143.03510	1.3
149.04572	0.7
161.04536	1.8
167.10765	0.5
179.05600	5.0
234.19714	0.4
241.08557	0.4
243.06772	0.6
247.49529	0.4
285.04587	0.4
285.07834	1.5
389.64285	0.4
405.21234	4.4
405.25552	0.4
465.14011	0.7
465.23761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28761	0.6
55.01836	1.0
57.03379	2.7
59.01322	1.7
61.98785	0.9
69.03387	1.2
70.97773	1.2
71.01315	1.9
73.02880	0.8
83.01330	1.7
85.02889	2.1
89.02394	0.7
93.03401	2.7
95.01344	2.4
95.04964	0.6
97.02907	2.8
98.20529	0.8
99.00872	4.7
101.02392	0.7
109.02921	2.1
111.00893	6.1
113.02388	1.1
119.04975	2.0
121.02950	0.8
122.59035	0.6
123.00881	8.4
123.04491	1.0
124.01657	1.4
125.02446	20.1
137.02414	2.5
139.00371	10.9
139.03999	2.1
140.01152	30.0
141.01938	100.0
142.02267	2.1
147.04590	1.0
147.93558	0.6
148.01682	0.8
149.02441	1.3
150.03253	0.7
151.00346	5.5
151.03929	1.5
152.01135	4.0
153.01924	4.0
161.06078	30.2
163.03952	1.3
165.01944	5.8
166.02725	1.1
167.03526	2.2
175.04077	1.2
178.99948	1.5
181.05110	1.2
183.03011	3.1
188.04753	1.0
189.05623	1.1
191.03452	3.8
193.05017	0.8
199.04045	0.9
208.03772	7.8
209.04535	10.4
209.06357	0.9
216.04356	1.0
217.05058	15.0
229.05322	0.6
244.04001	2.8
245.04526	15.7
246.05209	0.9
259.06393	1.9
275.05960	2.0
285.04031	4.8
285.07965	0.6
301.04239	0.7
302.07935	6.4
303.07785	36.2
304.08139	2.1
321.56958	0.7
371.09869	12.7
385.16147	0.8
407.10672	2.2
437.11868	3.2
447.09726	1.1
465.15103	27.9
466.15384	2.2
473.84009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
61.98817	3.0
68.32846	0.6
69.03455	23.1
71.01374	1.3
71.22303	1.0
78.95911	1.4
79.01890	14.4
81.03451	1.6
83.01382	0.7
83.25870	0.6
85.02946	1.6
89.02434	0.7
95.01376	4.2
97.02956	13.0
104.28148	0.6
107.01386	39.8
108.02226	4.3
109.02934	2.8
113.02426	0.6
119.05018	0.7
121.02937	1.5
122.03728	0.7
123.00881	8.5
125.02440	27.6
133.02982	1.3
135.00885	13.8
135.01930	0.7
135.04590	0.8
136.01663	3.2
137.02432	1.1
145.02963	2.5
149.02415	1.5
149.66447	0.7
150.03217	0.7
151.00363	46.5
151.03902	1.0
152.01183	6.4
153.01921	11.0
161.02521	0.8
161.04585	0.7
163.03996	3.3
177.01935	3.0
179.03500	0.8
182.02232	1.0
200.66606	0.6
207.03070	0.7
242.05826	57.4
243.06558	19.9
244.06943	1.3
261.07642	1.5
285.07703	2.0
297.06024	3.9
322.74844	0.6
331.24969	1.2
405.11887	100.0
406.12250	8.5
465.17566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03451	7.0
59.01369	4.6
61.98822	2.4
65.00304	2.5
71.01376	3.1
78.26746	0.9
83.01363	3.4
89.02441	2.5
93.03441	1.8
101.02434	1.4
107.01389	6.3
109.02953	6.7
111.00901	1.5
113.02425	1.6
121.02945	2.8
123.00895	1.5
123.04513	2.9
124.01657	2.1
125.02444	100.0
126.02705	1.8
137.02402	3.8
139.03987	3.7
139.59904	1.0
140.01158	2.5
141.01929	7.9
149.02415	13.1
150.99200	1.5
151.00366	25.6
151.03955	3.3
152.01141	2.2
153.01929	25.9
161.02461	2.8
161.06042	2.7
165.01906	1.8
166.02634	1.4
167.03438	3.2
174.03143	3.0
174.88965	2.0
175.00330	4.6
175.02510	2.1
175.03935	9.5
176.01137	1.3
177.01903	18.4
177.05458	1.5
178.99843	20.2
179.03561	1.2
181.00223	1.0
181.01445	11.0
188.04739	2.4
189.05510	3.8
191.03389	3.2
193.01448	1.9
193.05029	2.5
195.02995	2.7
199.04010	5.0
205.01335	1.4
209.04483	1.6
213.05624	1.2
217.05040	7.6
241.05029	5.8
245.04442	2.4
248.38164	1.2
259.06155	2.9
275.05615	18.5
285.04031	52.9
286.04303	4.0
299.05508	5.2
303.05035	87.9
304.05319	4.8
327.04938	1.7
334.19400	1.0
341.05157	6.5
343.06561	5.7
405.21124	4.5
437.10883	2.4
447.09235	4.2
465.09628	2.3
465.14874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10620	0.9
57.03445	2.1
59.01374	9.4
61.98822	8.6
65.00349	1.4
68.99826	1.1
69.03442	1.2
71.01369	3.6
72.60947	0.9
73.02949	1.5
83.01390	1.1
85.02947	3.4
89.02467	3.1
93.03453	3.9
95.01392	2.8
95.16848	1.3
97.02941	2.5
99.00883	6.3
101.02449	3.1
107.01369	2.5
109.02943	2.8
110.00126	1.8
111.00900	7.1
113.02420	2.1
115.05368	1.0
119.05030	3.5
121.02956	1.5
123.00899	9.6
123.04567	1.6
125.02434	3.0
132.12871	0.8
137.02440	2.6
139.00394	12.6
139.04010	1.4
140.01160	32.9
141.01936	100.0
142.02234	1.2
145.02837	0.9
147.04475	1.8
148.01683	1.0
151.00368	9.6
152.00790	2.0
153.00813	1.7
153.01944	1.3
155.10756	3.0
159.04478	1.2
160.42528	1.0
161.02463	1.7
161.06075	31.7
162.06404	1.4
163.03992	2.1
164.01143	5.5
165.01822	3.7
165.98964	1.5
166.01646	2.2
166.99776	1.6
167.03433	2.2
175.03923	1.6
178.99828	2.6
183.04483	1.9
188.04688	1.3
191.03525	1.9
191.05496	1.0
191.87578	0.9
199.03957	4.1
200.04379	1.6
201.01917	6.5
201.04558	1.7
202.02193	4.1
203.02193	1.7
203.03542	3.7
204.03781	2.3
205.04012	2.1
208.03757	8.9
209.04524	9.6
215.03468	1.5
216.04062	1.3
217.05049	15.5
217.10783	1.5
227.03369	3.0
228.03796	2.3
229.03998	2.9
229.27946	1.1
231.03032	4.3
232.03494	1.3
233.03500	3.1
234.04411	1.1
243.02893	2.9
244.03627	5.5
245.04617	20.5
255.02812	2.1
257.03616	3.2
259.11841	3.7
269.78223	1.1
271.02460	31.5
272.02798	29.0
273.03018	51.8
274.03262	1.2
285.04013	1.4
285.12286	1.0
287.01855	1.4
289.02570	1.5
293.12357	1.2
299.01935	38.7
300.02301	35.2
301.02496	80.5
302.02957	3.9
302.07956	7.5
303.06982	36.8
304.07507	2.2
316.02213	4.3
317.02640	6.0
318.02817	16.1
319.03497	9.1
319.71094	1.0
365.51367	1.2
371.09851	13.9
407.09891	2.1
421.17007	1.1
465.09109	18.3
465.13989	29.5
466.14856	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03449	7.7
59.01376	5.0
61.98820	5.3
63.02382	1.2
65.00327	2.5
83.01382	8.1
86.26156	0.9
89.02451	1.4
93.03465	2.7
99.00868	1.6
100.02387	1.1
101.02464	2.0
107.01385	4.0
109.02950	5.8
110.07888	1.1
111.00866	1.2
113.02488	1.6
121.02935	3.2
123.00885	1.6
123.04559	5.3
124.01661	1.4
125.02445	89.7
126.02803	1.4
133.02950	1.0
135.03059	1.1
135.04492	1.2
137.02428	3.6
139.00352	1.1
139.04019	2.5
140.01144	5.5
141.01930	13.6
143.04747	1.4
143.31146	1.1
149.02425	8.0
150.03244	2.4
151.00371	28.2
151.04012	4.5
152.01096	3.5
153.01936	20.9
154.02299	1.1
161.02419	2.0
161.04744	0.9
161.06075	5.4
163.00333	6.6
163.04002	1.6
165.01903	2.4
167.03490	3.5
169.01483	1.3
174.03195	2.2
175.03995	14.8
176.01138	3.5
177.01921	22.5
178.02626	2.7
178.99854	14.8
179.03413	3.1
181.01404	3.1
185.06094	1.4
188.04710	1.3
189.05585	4.2
191.03439	2.0
193.04997	1.4
199.04021	7.9
199.07703	1.1
201.01912	2.5
208.03700	1.6
213.05560	2.0
213.99355	1.6
214.99750	1.9
215.03377	1.3
216.04268	1.4
217.05080	11.3
225.11388	1.0
231.06619	1.5
241.05070	9.2
245.04498	4.1
246.05214	1.1
257.04550	2.3
259.06143	3.1
267.03012	1.8
275.05643	6.9
285.04047	100.0
286.04333	4.6
302.07846	1.6
303.05048	92.0
304.05472	5.5
313.05853	1.4
315.07132	1.8
341.05124	4.5
342.05408	1.2
346.08575	1.7
371.09741	3.0
378.05835	3.2
447.09216	3.4
465.09253	7.2
494.19299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47680	0.4
55.78998	0.4
57.03434	0.3
59.01377	4.4
61.98822	1.8
65.00311	0.5
69.03443	1.2
69.25227	3.8
71.01389	2.7
73.02927	0.9
77.03972	0.9
81.03442	0.7
83.01384	5.3
85.02957	1.3
89.02430	3.0
93.03444	4.0
95.01394	1.1
95.04930	0.4
97.02944	1.1
99.00875	3.6
99.04532	0.5
101.02445	2.1
108.02204	0.6
109.02946	1.1
110.00117	1.8
111.00896	4.3
113.02440	0.9
120.08159	2.2
121.02921	1.9
123.00949	0.5
123.04521	0.9
125.02496	1.0
129.01959	0.4
131.03535	0.4
134.06102	1.0
136.98769	0.6
137.02441	13.3
139.00368	2.9
139.03973	1.1
140.01163	2.2
141.01930	4.6
145.02936	1.1
149.04541	1.8
151.04002	0.8
153.01923	7.5
154.02641	0.8
155.03528	0.7
163.03970	0.6
164.01189	0.5
164.07156	3.6
165.01912	7.2
165.99075	3.5
166.99829	1.1
177.01912	1.1
179.03488	1.4
181.01421	7.8
182.02197	100.0
183.02962	74.9
184.03349	2.5
184.14209	0.6
186.01740	1.2
191.05574	0.5
195.03021	1.6
207.02980	1.2
207.05087	0.4
208.03775	0.9
211.13353	0.4
219.03053	0.4
225.03934	0.8
231.69337	0.4
267.16098	1.6
277.28137	0.4
281.06442	0.6
303.07138	3.3
317.97375	0.4
327.07141	3.6
345.08218	18.2
371.09573	0.9
423.09241	3.1
465.10349	88.6
466.10617	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	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01382	1.1
61.98830	2.7
65.00326	0.8
67.01891	0.5
67.99268	0.3
69.03445	0.9
69.59649	2.1
71.01379	1.3
72.03614	0.3
75.94722	0.3
77.03976	1.0
81.03472	0.7
83.01384	2.3
85.02943	0.9
89.02473	0.7
93.03460	9.3
95.01382	0.7
97.02940	1.6
99.00887	1.0
101.02452	0.5
109.02938	2.4
109.81982	0.4
110.00085	0.4
111.00864	2.2
121.02967	1.7
123.00967	0.6
125.02454	1.1
136.98840	1.0
137.02443	14.6
138.02771	0.4
139.00357	2.2
139.04007	0.9
140.01143	0.8
141.01942	2.8
148.36954	0.3
151.00327	0.4
151.04008	0.9
153.01945	17.0
155.03453	0.7
161.06047	0.7
163.04092	0.3
165.01933	6.2
165.99094	1.8
166.02754	0.4
166.99876	0.7
167.03444	0.9
177.01996	0.6
178.62862	0.3
179.03424	0.5
181.01436	23.8
182.02209	76.2
183.02980	76.5
184.03314	2.2
186.01707	0.4
193.05118	0.6
194.02200	0.5
195.02959	2.3
207.02972	1.4
209.04582	0.4
225.04016	1.0
237.04094	0.4
259.14856	0.5
302.03967	0.5
302.07919	0.7
303.08871	0.6
303.21594	0.4
327.07196	26.8
328.07602	1.3
345.08237	100.0
346.08554	6.3
447.08456	0.7
465.09546	3.4
465.27063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60096	0.2
52.23692	0.2
59.01373	0.7
61.98828	100.0
71.01376	0.3
71.52699	0.2
77.83248	0.2
85.02976	0.2
89.02454	0.3
109.02963	0.2
113.02406	0.2
118.60741	0.2
121.02944	0.2
130.95122	0.2
140.99718	0.2
141.01962	0.4
152.01234	0.3
153.01997	0.2
167.03494	0.3
182.04051	0.2
194.04135	0.2
199.99545	0.2
241.04971	0.3
245.51289	0.2
297.06198	0.5
325.93860	0.2
376.11710	0.4
404.15268	0.2
465.13571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.7
61.98587	1.2
61.98833	13.3
71.01375	1.8
72.68290	1.0
72.99306	4.3
74.08183	1.1
75.00871	40.1
78.76079	1.0
78.95905	13.6
83.01363	1.4
87.90175	1.4
89.02464	6.5
96.96947	1.8
117.01978	2.4
135.02991	100.0
149.83810	1.3
152.99582	23.5
153.01944	2.1
245.57014	1.2
247.07724	1.9
262.06290	4.5
275.07144	1.9
278.05615	1.4
291.06577	21.1
303.06604	41.6
304.07141	3.4
305.04626	2.1
315.06641	1.7
317.04660	5.8
317.07935	1.9
319.06168	5.6
331.06149	12.8
331.09833	2.0
332.06436	1.7
333.07602	3.3
347.05627	6.3
361.07526	1.7
393.09845	2.3
419.07999	1.3
421.09283	4.0
437.08667	2.6
465.08279	59.2
465.22141	6.9
466.08438	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	465.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12239	2.1
53.26402	2.0
61.98833	9.0
62.04185	1.9
65.00323	8.7
78.95895	6.5
81.03436	3.2
83.01387	25.4
94.53999	2.0
100.53654	2.2
107.01404	3.8
109.02953	4.2
111.00865	6.9
121.02944	8.6
129.30197	2.2
135.00862	5.8
136.98808	10.5
151.79770	2.5
153.01938	47.1
167.49257	2.2
178.99905	3.2
181.01413	19.7
226.21695	2.1
240.04341	3.6
264.04391	3.4
278.05899	12.7
283.06021	4.4
291.84033	2.3
292.03665	3.8
293.04501	14.3
294.05341	3.7
296.03207	2.6
304.07291	5.5
307.06079	10.4
308.07025	2.6
309.07587	4.4
317.04559	18.7
319.09784	3.1
320.03293	12.7
331.06094	5.1
332.06812	6.4
335.05618	35.1
360.06445	13.9
375.08673	4.5
391.08359	3.1
403.08246	5.3
404.05341	6.3
419.07687	37.7
420.08337	3.0
434.06656	3.3
437.08899	10.8
447.07172	7.5
464.30280	4.9
465.08224	100.0
466.08600	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	465.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72140	0.7
52.26241	0.6
52.85146	0.8
59.01376	2.7
63.00869	0.7
63.06915	0.7
64.42970	0.7
71.01377	17.2
71.34353	0.8
71.34695	0.9
72.99303	3.3
87.00877	1.5
88.98798	1.0
89.02448	3.3
96.96954	1.3
101.55315	0.8
111.00868	0.9
115.00365	44.3
116.00786	0.7
118.38148	0.7
120.57076	0.6
123.00902	1.5
125.02419	2.7
130.73528	0.8
133.01424	100.0
134.01711	0.8
139.00351	0.9
139.04031	2.0
151.00365	1.6
153.01932	0.8
169.01413	7.2
205.06004	0.7
211.02449	2.3
215.47993	0.7
233.40001	0.8
254.62909	0.9
271.04614	1.1
285.07800	1.6
311.82910	0.8
331.06683	14.5
405.95703	0.8
426.98441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72769	0.6
57.09601	0.7
59.01380	5.9
71.01376	13.9
72.33855	0.6
72.99306	3.6
77.42989	0.7
80.43848	0.6
88.98851	0.9
89.02448	3.6
97.53946	0.7
101.02446	0.7
113.02437	1.4
115.00371	36.6
117.01920	1.6
123.00896	2.9
125.02451	3.6
133.01427	100.0
134.01738	0.7
135.04533	0.8
139.00391	1.2
141.01904	1.9
151.00378	4.3
159.08307	0.8
161.06160	0.6
164.91888	0.6
169.01408	9.5
211.02513	2.5
237.18002	0.7
271.04672	1.6
331.06668	26.9
332.07150	1.3
347.06940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80220	0.5
57.03458	1.3
58.00593	1.3
59.01375	100.0
60.01733	0.6
61.98826	4.9
70.20683	2.1
71.01378	24.1
72.99313	1.5
73.02968	0.9
83.01363	0.7
85.02929	2.8
87.00878	1.6
89.02439	35.1
95.01385	1.2
98.20621	0.6
101.02435	10.0
106.70866	0.5
109.02947	1.1
111.00819	0.5
113.02445	8.6
115.00397	1.9
119.03497	12.3
123.04530	0.8
125.02393	0.8
131.03490	2.3
133.01433	4.3
133.05072	0.7
143.03458	3.5
149.04547	1.4
161.02426	0.6
161.04530	4.0
165.09166	3.9
167.03513	1.0
179.05600	14.2
205.12282	0.7
213.05855	1.6
301.03644	0.6
403.08774	0.7
403.19489	0.7
463.08682	2.9
463.21942	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	463.0888
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
51.46857	1.5
52.40458	1.5
59.01375	7.7
61.98831	14.2
63.02373	1.4
65.00317	4.9
66.34782	1.5
71.01376	5.5
71.52221	2.0
73.02946	2.8
81.09650	1.6
83.01401	3.3
85.02978	2.2
89.02458	3.5
94.21749	1.7
95.01424	1.4
96.80178	1.6
99.00883	1.7
101.02426	5.0
107.01379	7.3
108.02156	2.7
109.02954	5.6
113.01456	1.5
113.02412	3.7
116.04112	1.4
116.92868	3.2
121.02937	6.7
123.00862	2.2
124.01654	4.8
125.02428	4.1
130.47685	1.6
135.00894	2.9
139.00424	2.4
151.00356	33.3
151.11264	3.1
152.01158	7.3
161.04539	2.9
163.00366	6.0
164.01122	5.5
169.01486	1.6
178.99850	19.3
183.04425	1.9
186.03239	1.8
187.03925	2.7
192.00729	2.4
193.01350	3.2
199.04008	3.8
201.09262	1.5
203.03447	1.8
209.11842	7.0
211.03894	1.7
214.02771	2.5
215.03499	2.0
216.04211	2.1
223.13309	7.7
224.81697	1.5
226.02766	2.4
227.03525	11.6
229.04996	3.8
241.01436	3.3
242.02164	6.0
243.02948	14.2
244.03656	3.2
245.00835	2.4
245.04442	4.5
246.01685	1.6
247.28778	1.8
254.02145	3.8
255.02936	24.0
255.36365	1.6
270.01675	10.3
271.02469	78.1
272.03168	18.9
273.03976	9.3
283.02686	2.7
287.01889	5.0
288.02728	1.8
298.00967	4.4
299.01926	48.2
300.02701	66.5
301.03494	100.0
302.03754	4.8
316.02197	32.3
317.02942	21.0
318.02899	1.7
373.08200	1.9
408.93069	1.8
419.22946	3.2
437.94421	1.9
445.07690	65.7
446.08167	5.1
454.05090	1.6
463.08777	96.1
463.21890	7.5
464.09125	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35115	1.0
54.99264	1.2
57.03429	2.2
59.01378	100.0
61.98820	3.1
69.57451	7.5
71.01380	40.5
72.99290	2.4
73.02964	6.8
83.01371	3.7
85.02949	16.4
86.65019	1.3
87.00858	4.0
88.98805	2.6
89.02443	40.3
95.01315	2.2
99.00884	2.6
101.01804	2.0
101.02441	29.9
104.10716	1.3
113.02448	20.2
115.00357	4.0
119.03487	17.3
123.21769	1.5
125.02417	4.2
135.03009	2.1
137.02443	1.7
142.99849	3.2
143.03471	5.7
149.04584	1.7
159.02977	2.9
161.02444	1.7
161.04518	17.7
163.11292	1.7
173.00926	1.4
175.02489	8.8
179.05598	9.2
181.12378	1.3
183.70116	1.3
187.11314	1.5
205.12343	7.0
241.14381	3.3
260.23102	1.3
283.02438	2.9
289.00711	1.4
327.04938	3.2
385.18405	3.8
403.19705	71.6
404.19891	5.9
405.13986	1.7
463.08670	7.7
481.03305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03439	1.1
58.00621	0.4
59.01380	8.9
61.98831	3.3
63.02377	0.4
65.00332	0.5
70.36908	0.8
70.37273	0.7
71.01381	13.2
73.02943	4.8
75.00867	1.5
80.02685	0.8
81.03442	1.1
83.01373	2.1
83.05013	3.5
84.02171	0.9
85.02953	5.8
87.00870	1.2
89.02439	4.9
93.03471	1.2
95.01402	1.4
95.05020	0.9
95.47001	0.4
97.02993	0.4
99.00880	2.0
101.02438	8.0
107.01377	1.8
108.02177	0.7
109.02953	1.2
111.00872	0.5
113.02451	6.8
114.02750	0.9
115.02901	0.6
116.92844	1.5
119.03487	1.1
121.02960	0.5
124.01697	0.6
125.02459	1.5
131.03470	0.8
135.00876	0.4
135.08159	0.5
136.55196	0.3
136.56535	0.4
137.02467	1.3
139.00404	0.6
143.03467	0.7
143.05031	0.6
144.05421	0.5
145.02991	0.6
149.02438	0.5
151.00375	5.0
152.01138	0.8
153.01942	0.5
159.02983	1.1
159.04419	0.7
161.02431	1.5
161.04532	4.8
163.00415	1.1
163.11278	3.2
164.01105	1.2
165.12830	2.3
173.02583	0.4
175.02484	0.5
178.02962	0.5
178.99854	3.1
179.05641	0.5
181.12294	0.7
183.04463	0.5
185.06099	0.5
187.04091	0.8
189.05675	0.4
191.10802	0.7
195.04556	0.5
199.03844	0.8
201.05507	0.8
203.03546	0.6
209.11809	100.0
210.12177	3.7
211.03949	0.9
214.02724	1.4
215.03464	0.7
227.03462	1.8
227.12869	18.1
228.13220	0.9
229.05043	1.5
230.05388	1.2
231.05635	1.2
235.08278	0.6
239.03445	0.5
241.04305	0.4
242.02252	0.9
243.02965	3.8
245.04466	0.8
253.09274	13.6
254.02019	0.6
254.09698	0.5
255.02980	5.3
256.03455	0.6
257.04480	1.2
258.04843	0.8
259.02454	2.3
259.04916	0.5
270.01584	1.9
271.02444	19.3
272.02988	1.5
283.02463	0.6
285.03998	8.4
286.04373	6.2
287.01846	4.1
287.04608	12.9
288.02432	1.0
299.01938	1.5
300.02725	18.4
301.03497	42.4
302.03946	2.7
315.01526	0.6
316.02194	24.3
317.02878	6.3
330.03720	0.6
331.04285	0.4
331.17593	4.3
391.91818	0.4
463.08734	39.3
463.21747	16.1
464.08856	3.3
464.22064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61064	1.0
57.03437	1.5
59.01383	5.9
61.98815	2.7
63.02380	2.3
63.13727	1.0
65.00306	2.0
69.29037	8.6
71.01376	3.4
73.02937	1.6
83.01392	2.9
85.02954	1.8
89.02442	3.2
90.32218	1.0
93.03449	1.8
98.19896	1.6
101.02445	2.3
107.01405	6.9
109.02937	5.2
113.02428	1.5
116.92835	1.9
119.05032	1.2
121.02943	4.4
123.00853	1.4
124.01646	1.2
125.02435	13.7
133.03000	1.3
135.00845	1.4
137.02417	4.1
139.04031	1.7
145.03027	1.1
147.00853	1.6
148.01649	1.6
151.00352	28.0
152.00996	1.7
153.01875	5.1
159.04431	1.4
161.02469	2.4
161.04541	1.5
163.00334	4.8
164.01225	1.2
165.01907	3.9
167.03474	1.7
175.00378	8.3
175.03947	1.3
178.99852	17.8
180.48691	1.3
181.01445	1.2
182.02226	1.6
183.02879	1.5
187.04034	1.3
191.03534	5.4
192.00467	1.1
193.01410	60.9
194.01715	2.2
209.11810	20.8
214.29588	1.1
215.03534	6.1
226.02748	1.6
227.03419	5.0
227.12907	5.0
229.04991	1.9
233.04503	1.5
239.03542	1.6
241.14522	2.4
243.02951	9.4
244.03429	1.6
245.04510	2.8
253.09187	1.6
254.02202	2.2
255.02972	16.2
256.03641	1.4
257.04465	3.4
270.01596	1.5
271.02460	44.3
272.02972	4.7
273.04041	2.2
283.02509	2.4
286.04605	1.2
287.01920	2.4
287.04816	1.4
299.01932	10.6
300.02728	57.4
301.03500	100.0
302.03687	4.7
316.02173	13.4
317.03030	3.5
319.04514	10.5
445.07721	44.0
446.08295	4.8
463.08765	40.8
463.15454	1.2
463.22745	1.3
464.09009	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.0
61.98825	2.6
63.02396	2.1
65.00322	4.2
69.50105	2.6
70.32790	0.4
71.01379	1.8
83.01376	3.3
85.02933	0.7
88.98794	0.5
89.02425	0.9
93.03448	1.4
101.02437	1.1
107.01381	9.0
107.77023	0.5
108.02210	0.6
109.02954	2.8
113.02453	0.6
116.92880	1.6
121.02948	6.8
124.01681	0.6
125.02464	1.1
133.02954	0.7
135.00876	0.6
135.04509	0.8
135.41940	0.5
137.02484	0.6
145.02960	0.6
148.01646	0.8
148.07655	0.8
149.02451	1.1
151.00360	37.5
152.00746	0.7
153.01927	0.6
156.03925	0.4
159.04501	0.5
161.02432	1.5
163.00369	2.4
164.01114	0.8
165.01782	0.6
167.03513	0.5
169.01431	1.3
175.03966	0.8
178.99847	18.4
182.02168	0.5
183.04498	0.7
193.01352	1.1
199.03902	1.0
201.05565	0.8
203.03557	0.6
209.11815	5.1
211.03873	1.0
214.02614	0.8
215.03355	0.7
226.02696	1.1
227.03548	2.2
227.12865	1.6
229.05049	0.9
241.14331	0.4
242.02211	0.6
243.02954	4.2
245.04547	2.3
249.10402	0.5
253.09366	1.2
254.02196	1.2
255.02960	8.9
256.03433	0.8
257.04391	0.7
265.14618	0.6
271.02454	22.6
272.02899	2.1
273.04095	2.4
283.02475	1.6
285.03937	2.8
287.01846	0.8
299.01950	3.3
300.00031	0.5
300.02716	32.0
301.03503	100.0
301.20148	1.5
302.03848	5.5
316.02191	5.3
317.02988	1.3
361.06857	0.5
377.34326	0.5
445.07724	19.7
446.08249	2.2
463.08746	34.6
463.25500	6.7
464.09058	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99804	0.3
58.49512	0.3
59.01374	0.6
64.74678	0.3
65.00316	1.2
69.83700	0.9
71.01373	0.3
84.04211	0.3
93.03460	0.8
95.01382	0.6
98.20715	0.5
107.01357	0.4
109.02940	0.5
110.00088	3.0
111.00890	0.9
123.00886	0.7
125.02465	0.3
131.04979	0.5
133.02936	1.0
135.00876	0.4
136.98773	1.5
137.99583	0.8
139.00349	1.1
151.00330	1.4
152.01131	0.6
155.04930	0.6
157.02951	2.7
157.06534	0.5
159.04506	0.7
161.02496	0.3
165.01883	0.4
165.99074	1.0
166.99792	0.5
167.04984	0.4
171.04483	0.6
174.03214	1.8
178.99837	0.8
183.04451	0.7
187.03979	0.8
193.01384	0.6
199.03964	0.5
200.04718	0.6
201.05579	1.3
202.02663	1.6
203.03513	0.6
206.02145	1.4
209.11746	0.3
211.03886	1.4
215.03455	1.1
216.04269	2.5
217.04791	0.4
227.03490	3.2
228.04204	0.4
229.01408	1.5
229.04973	2.1
239.03448	1.1
243.02980	2.4
244.03645	0.6
245.04463	0.8
255.02954	6.1
256.03662	1.6
271.02518	4.2
272.03033	0.8
273.04205	0.4
282.01831	0.5
283.02515	0.8
291.26917	0.3
299.01889	0.3
300.02725	30.3
301.03494	100.0
302.03824	6.0
316.02377	0.4
445.07687	1.6
463.08780	55.7
464.09094	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	AC1MML41
Peak:m/z	Relative Intensity
57.03442	2.0
59.01376	17.1
61.98829	7.9
65.29271	0.5
68.88577	0.5
69.61089	2.6
71.01376	14.3
72.99302	1.6
73.02943	2.1
75.00873	2.4
83.01381	1.4
85.02938	1.8
87.00872	26.7
89.02426	1.6
93.03489	0.6
95.04955	0.5
96.96001	0.7
99.00874	1.4
101.02447	1.8
107.64210	0.6
109.02911	2.6
112.98802	1.0
113.02442	1.5
115.00371	47.5
116.00704	0.7
119.03512	1.1
121.02905	0.8
121.59022	0.5
123.04511	1.9
124.98805	0.6
125.02444	15.2
127.00327	1.0
133.03030	0.9
135.02969	5.5
135.04527	1.3
137.02428	2.8
138.03197	2.3
139.03593	1.2
141.84435	0.5
142.99854	3.5
148.01654	1.6
149.02409	2.9
150.03337	0.6
151.00343	1.4
151.04045	1.2
161.02466	2.6
161.04538	1.1
163.00299	1.1
164.01105	1.1
165.01886	2.9
166.02620	0.8
167.03386	2.1
168.03784	0.8
170.02168	1.2
173.00908	1.0
174.01695	0.8
175.02467	100.0
176.01361	0.7
176.02832	2.1
177.01901	6.0
178.02682	1.9
179.03493	2.3
179.05695	0.6
189.05379	0.5
191.03456	0.6
193.01405	1.9
194.02174	2.6
195.02774	3.4
196.03421	0.9
201.02019	0.5
202.99796	2.8
204.00642	3.6
205.01338	1.8
205.12292	1.1
213.02284	2.0
223.13411	1.1
227.09326	1.6
241.05092	1.1
241.14444	1.9
259.06143	0.7
283.06116	1.9
287.05508	1.6
289.07068	4.3
299.05716	0.6
300.02637	0.7
301.03552	1.0
301.06897	0.8
327.05081	18.6
328.05478	1.6
345.06049	3.8
355.04614	1.5
357.08234	3.0
358.08554	9.7
359.08862	0.9
375.07333	1.1
403.07150	0.7
463.09015	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.1
59.41206	0.9
69.62649	6.0
71.01393	1.0
83.90643	0.9
99.92581	1.3
107.01406	2.1
116.92862	15.6
133.02971	1.1
135.00853	1.2
139.00345	1.1
151.00391	5.4
155.80522	1.0
161.02396	2.1
164.01144	6.1
169.30890	0.9
178.99770	1.5
182.00694	1.1
182.02274	1.2
187.03952	1.5
198.19507	1.0
199.03981	2.8
201.01927	9.6
203.03456	6.9
227.03494	6.5
231.02869	4.6
243.02899	3.2
255.02931	4.1
271.02448	64.6
272.02789	3.3
287.01935	2.4
299.01938	100.0
300.02325	4.4
301.03497	2.6
316.02161	9.7
317.02969	4.1
403.49280	1.0
415.39374	1.1
463.08612	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00564	0.3
59.01377	9.5
61.98826	0.6
65.00326	1.3
68.99815	1.0
69.36219	0.7
69.36631	2.2
71.01385	4.1
71.12889	0.4
73.02935	1.3
83.01374	1.2
85.02937	2.2
87.00868	0.3
89.02460	0.9
95.01374	0.7
99.00874	0.5
101.02417	2.9
107.01376	1.8
110.00098	1.6
111.00886	0.5
113.02433	1.6
123.00935	0.5
124.01638	0.5
133.02951	0.5
135.00865	0.5
137.02437	1.6
139.00391	2.2
139.03894	0.4
143.04973	0.6
145.02983	0.6
149.02451	0.8
151.00372	7.0
152.01082	0.7
155.05003	0.6
157.02914	0.6
159.04462	1.2
161.02426	1.6
161.04546	2.6
163.00327	0.7
164.01141	5.9
165.73877	0.4
165.99052	1.4
166.99846	1.4
169.49069	0.3
171.04587	0.9
175.04007	0.5
178.99858	2.6
183.04492	1.4
185.02385	0.8
187.00333	0.8
187.04002	1.1
189.01947	0.5
193.01331	0.6
193.25150	0.4
199.04033	2.8
201.01901	9.4
203.03488	5.8
206.99396	0.5
211.03870	0.9
213.01907	0.5
215.03430	0.8
217.01274	0.4
219.02878	0.6
221.06593	0.5
226.02655	0.5
227.03494	6.7
229.01280	0.5
231.02983	5.4
232.03511	0.6
237.74873	0.4
243.02988	4.6
244.03516	0.5
255.02966	5.0
256.03406	0.5
270.01599	0.6
271.02460	78.6
272.02875	4.2
287.02020	3.1
298.01276	1.0
299.01947	100.0
300.02448	8.0
301.03439	2.2
316.02213	11.0
317.02963	7.2
318.03271	0.5
403.15869	2.7
463.08789	16.3
464.09076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71443	0.6
71.05817	1.3
107.01382	2.5
108.02155	0.9
109.02927	0.8
121.02955	0.9
124.01671	0.7
124.69441	0.7
125.02466	1.3
137.02435	1.5
149.14403	0.7
151.00366	11.2
152.01118	0.7
161.02365	1.1
163.00328	2.5
164.01180	1.3
165.46469	0.5
178.99843	10.9
214.02631	1.6
215.03438	0.7
226.02725	0.7
227.03535	1.7
242.02164	1.7
243.02954	6.2
254.02184	1.1
255.02968	14.5
256.03220	0.8
259.02469	1.1
270.01636	2.4
271.02469	40.9
272.02884	3.4
273.03757	0.9
283.02637	0.9
287.01938	6.7
299.01944	1.7
300.02725	83.8
301.03476	33.0
302.03854	0.7
316.02213	50.1
317.02945	16.1
336.54153	0.7
456.41092	0.7
463.08777	100.0
464.09116	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67976	0.1
51.68220	0.1
53.29154	0.1
55.99535	0.1
57.03421	0.1
59.01381	0.7
61.98825	0.2
62.30676	0.1
63.02395	0.5
65.00328	0.8
69.80426	0.2
69.80819	0.4
71.01388	0.5
71.38489	0.1
73.02950	0.3
75.47543	0.1
83.01382	0.6
84.50288	0.1
89.70327	0.1
91.01891	0.1
93.03482	0.2
94.32652	0.1
98.20627	0.2
100.88992	0.1
101.02451	0.3
101.55246	0.1
107.01393	2.1
108.02155	0.2
109.02969	1.1
114.35577	0.1
116.92878	0.1
119.01438	0.2
123.00871	0.2
124.01661	2.5
125.02437	1.0
133.02943	0.4
135.00861	0.6
136.01653	0.5
137.01462	0.3
137.02443	3.6
139.00356	0.1
148.01657	0.4
151.00363	8.7
152.01157	1.4
153.01952	0.2
155.03505	0.1
158.03787	0.1
161.02420	1.9
163.00375	1.5
164.01155	2.6
165.01945	0.7
169.01378	0.3
171.04507	0.2
175.04022	0.3
178.99855	8.2
180.00246	0.4
183.04504	0.2
185.02362	0.2
186.03186	0.1
187.03990	0.5
188.04823	0.3
189.01974	0.2
190.02776	0.2
190.99835	0.4
192.00603	0.4
193.01424	0.4
197.02289	0.2
199.04002	0.6
201.01903	0.2
203.03470	1.2
204.04253	0.7
206.56624	0.1
206.58713	0.1
213.01903	0.3
214.02704	7.7
215.03400	1.3
216.04274	0.1
217.01395	0.1
218.02217	0.2
219.02931	0.3
220.03648	0.2
225.01869	0.2
226.02571	0.2
227.03543	1.2
227.12883	0.3
231.02879	0.4
232.03802	0.7
241.01279	0.2
241.14476	0.2
242.02170	5.8
243.02939	3.9
244.03511	0.5
245.04266	0.1
247.02144	0.2
255.03062	0.2
256.03857	0.2
259.02451	7.0
260.03024	0.4
261.04037	0.4
270.01669	7.5
271.02451	42.5
272.02792	2.2
287.01962	23.3
288.02536	2.6
299.01938	0.8
300.02679	0.2
315.01520	0.6
316.02209	100.0
317.02881	22.9
318.03372	1.0
323.07675	0.4
359.04031	0.3
463.08777	77.8
464.09106	6.7
464.15808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01924	0.5
59.01369	2.6
61.98822	1.4
69.31137	2.9
69.31555	2.1
71.01382	1.8
83.01382	2.2
85.02950	1.2
87.00871	1.5
89.02445	0.9
93.03467	0.9
98.20615	1.0
101.02474	0.9
107.05022	0.8
109.02965	0.7
113.02431	2.0
122.32481	0.6
123.04534	1.5
125.02414	1.8
128.41243	0.6
133.02980	1.0
137.02429	11.9
139.04013	1.0
149.02406	0.7
150.03146	0.8
151.00348	2.4
151.03999	0.9
152.03658	1.1
152.04791	7.9
153.01918	1.8
159.04507	0.6
161.02391	1.6
163.03973	2.6
165.01926	10.1
165.05487	1.1
166.02631	1.2
167.03491	20.6
171.10240	1.1
171.27026	0.6
177.05486	1.0
179.03516	3.8
180.04317	3.3
181.01538	1.0
181.05061	19.2
182.02196	2.7
183.02953	1.0
184.03825	3.6
191.03546	1.0
192.04153	0.7
193.04999	1.2
195.01199	1.5
195.02965	24.9
196.03365	0.9
203.03535	0.8
205.05069	2.5
206.09521	0.8
207.02994	3.4
207.05014	1.1
208.03751	55.2
209.04523	35.9
210.05043	1.8
211.02367	0.9
213.99350	0.9
221.04526	1.6
229.04970	0.9
233.04520	4.4
233.08125	0.7
235.09750	3.9
262.08429	11.0
263.09167	5.8
280.09528	17.7
281.10095	2.3
285.04047	11.8
299.13379	0.7
345.08218	1.3
353.08899	0.9
371.09802	45.9
372.10129	2.7
377.05429	1.5
425.14435	8.9
443.15540	100.0
444.15820	7.5
461.05801	0.8
461.10818	2.5
461.16620	15.8
462.16818	1.3
486.51242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27867	0.9
59.01379	100.0
60.01719	1.0
61.98813	1.5
69.95895	0.8
70.75355	3.2
78.95894	1.3
120.24636	0.8
121.79263	1.0
123.67741	1.0
130.55014	0.8
160.09111	0.8
160.48952	0.8
164.19980	0.8
164.58408	0.9
221.22083	0.9
230.68561	0.9
285.03967	2.1
327.29187	1.9
349.38052	0.9
386.32098	1.0
387.25253	3.2
461.28934	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	462.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10115	0.4
55.09331	0.5
57.03446	0.7
59.01375	3.8
60.11549	0.5
63.56839	0.5
71.01366	3.4
71.44100	1.0
72.00909	1.7
74.02468	0.9
79.01904	2.1
81.03463	0.6
83.01400	1.4
85.02958	0.8
87.00868	4.5
101.02418	0.9
104.03525	4.3
109.02938	1.0
113.02435	0.7
115.00366	6.2
121.03010	0.7
123.04524	1.6
125.02451	3.7
135.02963	1.1
137.02426	5.1
138.03227	27.7
139.03918	1.7
142.99835	1.2
149.02426	1.0
151.00354	1.8
151.04048	1.2
153.01915	0.9
153.09283	0.5
161.02490	0.8
163.72760	0.6
165.01912	1.3
166.02679	11.0
167.03484	14.7
168.03825	0.7
170.02205	8.5
175.02467	15.5
175.03990	0.9
177.01912	1.5
179.03351	0.8
182.02190	3.3
183.02951	2.7
191.03461	0.6
194.02190	36.7
195.02931	10.9
202.99960	0.6
204.00650	0.9
226.01059	1.0
327.05148	2.7
345.08377	2.5
357.08234	100.0
358.08627	5.3
381.13135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71975	0.4
59.01362	1.5
61.98814	1.2
63.38385	0.3
67.88754	0.4
69.56238	2.1
71.01375	1.5
88.98811	0.4
89.02438	0.4
105.03470	0.6
108.11148	0.4
113.02482	0.8
123.03263	6.5
123.04550	0.4
132.02127	1.1
133.02951	30.8
134.03714	0.6
135.04521	10.6
137.02419	1.1
138.05600	47.8
139.05930	1.2
161.02431	100.0
162.02794	2.8
171.10135	0.6
171.42174	0.3
175.02516	0.3
175.03975	1.0
177.05716	0.5
179.03490	7.2
203.03470	1.4
209.11818	0.4
269.48892	0.4
271.02335	1.1
285.03986	1.0
286.04333	1.7
286.40533	0.4
300.02731	1.6
300.10864	0.5
301.03464	2.2
316.01904	0.5
323.07675	15.9
324.08066	0.5
329.84351	0.4
462.14035	63.3
463.08664	2.8
463.14401	5.2
463.25067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1298
Annotation	saccharumoside D
Peak:m/z	Relative Intensity
57.03440	0.8
59.01383	0.8
65.00336	0.6
81.03457	4.1
83.01384	2.4
89.84254	0.3
95.05035	0.7
98.20740	0.5
99.04545	0.2
102.50654	0.3
106.57927	0.2
107.01396	0.7
112.13414	0.3
123.04523	28.9
124.04827	0.7
125.02452	8.3
126.02764	0.3
131.03540	0.3
137.02466	0.3
144.61189	0.2
149.02420	1.3
151.00374	1.4
161.02486	0.4
163.03937	0.4
167.03490	100.0
168.03842	3.5
191.03525	1.9
209.04562	0.7
228.97852	0.2
270.97986	0.2
309.57712	0.3
418.18561	0.2
419.11804	0.5
461.12991	20.9
462.13364	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	461.1086
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
Peak:m/z	Relative Intensity
56.92250	0.9
57.03459	1.0
59.01375	9.0
61.98825	5.0
63.02421	0.8
65.00323	1.2
69.51044	1.7
69.51456	2.6
71.01369	5.7
72.99326	0.9
75.00870	1.6
78.76772	0.8
83.01403	1.6
85.02938	4.8
87.00886	1.2
89.02472	2.4
93.03458	4.6
95.01401	1.8
99.00903	1.9
101.02441	1.8
103.00377	0.9
107.01398	1.7
107.14165	0.8
109.02936	1.2
113.02428	8.6
115.00331	0.8
133.02921	1.1
135.00883	1.1
137.02483	3.4
143.04994	1.4
145.02982	1.0
145.06593	4.6
151.00400	2.4
157.06638	0.9
159.04556	1.7
161.02477	5.7
163.00435	1.1
169.06573	8.1
171.04506	1.6
175.02510	2.1
181.12370	1.1
183.04468	1.0
185.06075	9.9
187.04012	2.8
187.07639	5.7
189.05556	39.4
207.10342	2.3
211.03984	1.7
211.07718	3.1
212.04865	3.7
213.05548	100.0
214.05939	5.4
215.03523	4.2
225.11324	4.4
227.03601	2.9
227.07315	1.0
229.04997	4.9
231.06601	45.7
232.07050	2.1
237.05615	3.1
240.04301	0.9
255.06599	99.8
256.03857	2.5
256.07077	5.1
257.04544	13.8
281.04749	1.4
283.02634	1.6
284.03458	0.9
285.04013	50.3
286.04620	3.0
299.05569	59.2
300.05988	3.4
300.09567	0.8
301.03668	1.3
311.12860	1.0
323.07956	3.1
335.43384	0.9
357.02344	1.1
401.08987	3.7
417.11722	1.5
419.10049	2.8
461.11118	29.1
461.20523	1.8
462.11627	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00547	0.2
57.03441	0.8
58.38161	0.2
59.01380	9.1
65.00315	0.8
71.01372	1.8
78.11449	0.2
81.03459	3.9
83.01378	2.6
85.02939	1.4
87.00865	0.5
88.98775	0.3
89.02432	1.9
93.03448	0.3
95.05030	0.6
96.43846	0.2
99.00893	0.4
101.02452	1.1
107.01376	0.9
113.02456	1.0
119.03501	0.8
123.04522	28.0
124.04829	0.8
125.02444	9.1
131.03511	0.6
139.03970	0.3
149.02386	1.3
149.09743	0.3
151.00363	1.5
161.04523	0.7
163.04041	0.6
167.03488	100.0
168.03848	2.5
169.01405	0.3
181.08644	0.3
182.36382	0.3
191.03481	1.5
192.99690	1.6
203.10767	0.7
209.04570	0.9
210.01598	0.2
211.02428	1.0
221.00859	0.3
221.11826	0.9
225.11353	0.4
239.12813	0.3
271.04675	0.5
323.18356	0.3
373.06815	0.6
419.11768	0.4
461.12994	22.6
462.13196	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03436	1.2
59.01378	6.0
63.02398	0.7
65.00319	0.6
67.01881	0.2
68.72557	0.2
68.99814	0.3
71.01379	7.1
72.99298	0.9
73.02959	0.5
75.00869	2.5
83.01385	1.0
84.02173	0.3
85.02946	9.6
87.00871	1.5
89.02426	1.1
91.01880	0.5
93.03459	2.0
95.01392	3.0
99.00877	3.5
100.03522	0.3
101.02378	0.3
103.00368	1.2
107.01392	2.1
109.02959	1.1
113.02452	12.1
114.02738	0.3
115.00368	0.8
117.01941	1.5
117.03482	0.5
119.01356	0.3
121.02896	0.3
125.57244	0.2
126.38354	0.2
129.01933	0.7
131.04991	0.4
135.00877	1.3
137.02448	0.6
141.07166	0.3
143.05052	1.3
143.55124	0.2
145.02989	0.4
145.06561	0.4
151.00372	1.6
153.01851	0.4
154.04251	0.6
155.04974	0.6
157.01440	0.3
157.06560	1.1
159.04518	2.0
161.02441	0.3
163.00391	2.4
164.01065	0.2
165.01866	0.6
167.05031	0.8
169.06613	1.4
171.04465	1.2
173.02461	0.2
173.06021	0.3
175.02458	3.0
182.03641	0.3
183.04510	0.6
185.06053	3.7
187.04021	4.2
189.05559	1.6
195.04491	0.7
196.05247	0.4
197.06078	1.0
198.03166	0.2
199.03957	1.1
201.05591	1.0
211.03998	2.0
212.04655	0.4
213.05585	2.5
214.02663	0.5
215.03462	0.6
227.03496	3.0
229.05040	14.3
230.05446	0.8
230.17848	0.3
239.03506	1.9
240.04330	1.2
241.05003	1.8
243.02982	0.6
255.03024	1.3
256.03732	1.0
257.01840	0.5
257.04538	8.2
258.04886	0.7
267.03046	1.3
284.03229	0.5
285.04028	100.0
286.04395	6.0
461.07217	3.8
462.07541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66299	0.8
59.01379	9.9
61.59195	1.0
61.98829	22.7
66.91626	0.9
69.69135	4.2
71.01388	5.0
77.84959	0.9
83.01412	3.8
85.02946	1.1
88.71584	0.9
89.02464	2.3
98.19984	1.9
99.76434	0.8
101.02441	2.2
109.02946	1.8
113.02442	1.8
116.92886	2.2
121.02982	1.3
123.04565	1.1
124.01683	1.1
125.02468	4.0
129.77863	1.0
130.08768	0.8
135.04494	0.9
137.02458	4.0
138.03185	0.9
139.00392	1.2
139.04102	1.1
141.01938	3.5
151.04044	3.0
153.01924	10.2
153.84637	0.8
154.02583	0.9
161.02684	1.1
161.04578	1.1
163.04045	1.8
165.01906	7.8
166.02702	2.9
167.03490	7.0
177.02014	1.1
179.03500	9.9
179.05104	1.1
179.05550	0.8
180.00618	1.7
181.01419	10.3
182.02240	7.6
183.03040	3.4
190.85455	0.9
193.01462	3.0
193.05080	2.2
194.02206	3.1
195.02977	11.7
196.03754	41.3
197.04160	1.9
207.02994	11.3
207.06628	1.7
208.03667	1.8
211.80780	1.0
219.02922	1.1
221.00888	40.5
221.04446	2.2
221.08128	2.8
222.01663	22.7
223.02304	2.6
223.09799	3.6
224.03239	40.1
225.03990	13.2
235.02469	24.4
235.06090	1.8
235.09695	1.3
237.14926	1.9
248.03116	1.1
249.07721	1.4
250.08444	19.7
251.09227	3.6
261.07700	0.9
269.82297	1.0
278.07941	39.0
279.08701	39.0
280.09198	3.6
297.09924	1.6
345.08258	2.2
357.11942	1.1
384.06955	1.3
387.09335	31.4
388.09717	2.1
409.67004	0.9
441.13998	100.0
442.14453	7.6
443.15823	2.7
459.15140	55.5
460.15292	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20784	0.1
57.08887	0.2
58.21902	0.1
59.01382	1.1
71.01379	0.6
71.52321	0.2
75.00874	0.4
83.01370	1.9
85.02943	0.4
89.02427	0.2
91.57805	0.1
97.02950	0.2
116.92863	1.6
117.01907	0.3
117.92833	0.2
123.00892	0.3
123.04475	0.2
124.01631	0.4
125.09727	0.2
129.01933	0.2
134.50290	0.2
137.02437	6.1
138.03210	2.2
149.09737	1.0
149.33839	0.2
150.03233	0.7
151.00397	0.2
151.04013	0.7
151.11322	0.2
152.01140	0.3
153.01938	0.6
153.09288	0.2
163.00410	0.2
163.03989	0.3
163.11273	0.5
165.01918	10.8
165.12819	0.5
166.02707	3.2
167.03505	1.2
170.02200	1.3
173.36160	0.2
174.94878	0.2
177.05579	0.3
177.09180	0.1
178.02686	0.4
179.03491	11.4
179.10738	0.4
180.03870	0.3
180.89925	0.2
181.01347	0.2
181.08633	0.2
182.02193	3.4
183.02863	0.5
189.05602	0.3
191.03540	0.2
191.07065	0.2
191.10909	0.2
193.05048	6.4
193.08690	0.7
193.12361	0.4
194.02203	0.4
194.05280	0.2
195.02962	1.9
195.10309	0.9
203.10580	0.2
205.08746	0.3
207.02992	16.9
207.06592	9.0
208.03391	0.9
208.06923	0.3
208.11028	0.3
209.11874	0.2
219.10243	2.0
220.10631	0.2
221.04567	4.7
221.08058	1.2
221.11739	1.1
222.05045	0.5
222.08922	0.2
223.09749	0.7
233.11810	0.4
235.06099	10.1
235.09584	1.6
236.06346	0.4
236.10419	0.6
237.11301	19.7
238.11661	0.8
240.09979	0.6
244.10561	0.2
247.09700	1.0
248.10417	0.2
249.07657	0.4
249.11339	0.5
254.05695	0.8
255.06551	1.4
259.09747	0.5
261.11411	0.2
263.09305	1.5
264.10004	64.9
265.10730	28.2
266.11151	1.4
277.10742	1.0
289.10806	0.5
409.15070	0.3
425.14316	0.4
427.16046	100.0
428.16403	8.0
459.12970	0.8
459.18292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.275
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
59.01367	1.7
71.51252	0.7
77.93571	0.5
84.21402	0.4
89.18595	0.4
107.81161	0.4
117.03461	17.5
119.05032	7.2
121.02947	0.8
143.25735	0.4
145.02946	100.0
146.03296	3.5
163.03993	5.6
313.23846	7.1
343.75146	0.5
395.44183	0.5
441.26556	0.6
459.27487	30.9
460.27652	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	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
59.30874	0.3
64.04256	0.5
70.91235	0.4
70.91598	0.8
75.56890	0.3
82.03587	0.3
85.15819	0.3
106.13609	0.3
107.05027	29.8
108.05375	1.0
120.61981	0.3
122.46973	0.3
163.11281	100.0
164.11569	3.3
231.67888	0.3
238.10045	0.4
280.14676	0.5
283.17023	26.0
284.17505	1.5
295.17023	15.6
296.17459	0.9
459.29022	84.7
460.29404	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	459.1293
Annotation	6''-O-Acetylliquiritin
Peak:m/z	Relative Intensity
54.95315	0.2
55.01875	0.3
57.83555	0.2
59.01377	9.9
61.98836	2.1
63.16956	0.2
68.99557	0.2
70.19858	0.2
71.01379	1.6
71.52556	0.3
73.02946	0.4
85.02949	0.6
85.82095	0.2
87.00854	0.2
89.02435	1.3
101.02445	1.0
112.98564	0.4
113.02431	0.4
116.92846	0.3
119.03503	0.3
128.03517	0.2
135.04518	0.5
145.03011	0.2
161.02412	0.6
161.04475	0.4
167.10687	0.3
179.05656	0.4
179.14455	0.4
182.02235	0.9
183.02943	0.9
183.08150	0.8
185.06009	0.6
187.07646	1.3
195.13881	1.2
196.05255	0.4
205.12202	1.2
210.06845	4.6
211.07622	13.7
212.07985	1.0
213.05579	5.0
223.07616	0.6
223.13385	10.9
224.13799	0.4
225.05559	2.7
226.06354	1.9
227.07013	0.5
237.11270	0.6
237.14777	0.2
239.07181	0.4
251.07123	1.2
253.09274	1.8
254.05824	3.5
255.06602	100.0
256.06943	5.5
267.06686	0.4
269.08096	0.5
279.06506	0.6
297.07684	1.7
301.78503	0.2
306.07712	0.3
319.20837	0.3
345.08093	1.0
399.23907	0.4
405.11426	0.3
456.81699	0.3
458.66806	0.3
459.12936	51.3
460.13312	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	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46532	0.5
59.01374	1.0
69.86170	2.4
73.02943	45.2
74.03288	0.4
81.52273	0.4
89.02441	0.6
99.00877	5.7
101.02497	0.7
111.00880	0.7
116.92857	0.6
117.01938	100.0
118.02273	1.2
118.05109	3.6
161.02461	0.9
179.03535	0.7
194.23685	0.4
216.79178	0.5
342.58966	0.5
410.61188	0.5
456.78473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
63.73697	0.4
69.58749	1.9
71.01379	0.7
73.02946	44.2
88.98802	1.1
89.02443	0.9
96.96075	0.4
99.00883	5.6
101.02428	0.4
108.37637	0.4
113.01147	0.4
116.92900	2.0
117.01939	100.0
118.02283	1.5
125.02440	0.5
133.02965	2.0
134.47368	0.4
135.04533	1.3
149.81059	0.4
151.00365	0.5
161.02441	10.0
161.04526	0.5
169.01431	1.2
173.07426	0.4
175.02528	0.6
175.05998	0.4
179.03485	1.7
181.39075	0.4
203.03445	0.4
211.02481	0.6
211.73758	0.5
281.00903	0.4
331.06729	3.1
341.08774	6.0
456.61426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98831	5.5
70.26359	0.6
71.23460	0.6
73.06582	0.6
75.00873	3.2
83.54091	0.6
89.02451	0.8
92.41327	0.6
95.98333	0.5
98.14788	0.7
98.20735	1.3
108.93707	0.6
121.02950	100.0
122.03281	2.5
137.02461	0.7
180.05779	1.0
181.06572	6.9
189.05545	1.8
213.05600	0.6
219.26486	0.7
225.05531	8.5
255.06560	1.0
299.05649	1.3
313.07156	25.2
314.07465	1.5
316.69995	0.7
357.06094	5.7
397.12881	1.1
401.08728	70.9
402.09106	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	458.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.6
61.98831	48.2
64.95235	1.2
65.04620	1.1
71.01363	2.1
71.05054	1.6
80.96473	1.3
88.93072	1.4
92.72186	1.3
97.51103	1.2
110.55933	1.2
117.85722	1.8
136.25256	1.2
153.33199	1.1
210.89447	1.3
215.55278	1.3
247.29953	1.4
277.21713	100.0
278.22052	5.5
288.05856	1.3
382.25076	1.4
395.24469	12.2
396.24518	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	459.024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69050	0.3
59.01385	2.1
60.15420	0.3
61.98822	1.4
71.01385	1.6
71.51363	0.5
72.01727	0.4
73.02942	0.5
73.46189	0.3
83.01395	1.3
84.01730	0.5
85.02930	0.7
89.02447	1.6
93.18880	0.3
96.96011	0.9
99.92583	7.8
101.02436	1.0
107.55078	0.3
109.02935	0.4
110.77647	0.3
116.92857	100.0
117.01900	0.5
117.37300	0.3
117.92861	4.1
123.04540	1.3
125.02457	0.7
128.03500	0.9
133.02946	4.6
135.04533	2.5
149.06097	0.4
151.04025	0.7
153.01939	0.4
154.02264	0.5
161.02441	16.3
177.01947	0.6
179.03496	2.8
189.05539	2.2
190.05885	1.6
207.03036	0.4
207.06616	0.7
210.12326	0.4
233.08136	0.4
234.08553	0.5
277.07156	1.3
278.07523	2.3
279.07791	1.1
286.13922	0.4
341.08826	3.3
398.17743	0.4
458.13782	5.9
459.14508	12.0
460.15134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.9
59.25890	3.7
60.71849	3.9
60.78671	4.3
61.79135	4.2
61.98820	8.3
71.01380	52.6
71.98407	4.1
83.05061	4.4
85.02986	4.4
87.00866	4.7
87.15251	4.5
87.66998	4.2
89.02438	95.2
101.02422	17.1
113.02439	17.7
119.03471	14.1
131.03500	5.0
149.32224	4.4
159.47995	4.0
161.04504	6.2
179.05595	24.2
213.22462	5.0
248.80705	4.4
277.21729	100.0
278.22079	9.8
457.35892	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	458.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05400	0.7
59.01383	2.3
60.86855	0.6
61.98831	3.2
65.22717	0.6
70.66876	0.8
70.67213	1.5
71.01389	1.9
75.00902	0.8
75.71760	0.7
83.01397	2.1
85.02962	1.6
89.02441	1.5
97.03004	0.8
99.00896	1.4
101.02475	0.7
109.02945	0.9
111.00895	0.8
113.02467	0.7
121.85307	0.7
123.04533	1.1
125.02448	4.5
126.02809	1.2
137.02455	3.5
139.04001	1.2
141.01942	5.5
149.06071	0.9
150.03201	0.7
151.04037	1.2
152.04716	0.7
153.01967	1.9
161.02415	1.4
163.04021	2.0
165.01921	4.5
165.05592	0.7
166.02780	1.4
167.03506	4.2
169.01395	5.5
170.01776	1.6
170.97758	0.6
175.04054	0.6
176.04736	0.8
177.01970	0.9
178.02472	0.7
178.06361	0.8
179.03456	1.4
181.01453	2.3
181.05057	2.4
182.00854	0.4
182.02205	30.9
183.02975	48.5
184.03497	1.4
191.03526	1.9
193.05005	8.3
194.02232	1.2
195.02982	6.0
196.03683	3.3
197.00975	1.5
201.29045	0.6
206.02129	0.9
206.05885	1.4
207.03067	3.3
207.04842	1.0
207.06656	6.0
208.03966	4.9
209.04616	4.1
214.05112	1.6
215.05930	0.8
216.04356	1.2
217.05054	6.4
218.04608	1.9
221.04501	7.9
222.05090	0.9
223.04861	1.2
232.06030	1.5
233.04704	1.5
233.06877	12.1
234.05280	2.6
234.07660	6.2
235.06078	7.6
251.07980	11.4
252.08566	1.0
295.07053	3.0
296.07654	1.8
303.07214	2.5
315.46176	0.6
338.24176	0.8
338.86810	0.8
345.08237	100.0
346.08527	6.1
371.09912	1.0
454.35269	0.8
458.13007	43.5
459.13336	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	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22261	0.1
61.35673	0.2
66.02708	0.2
67.34252	0.1
69.97818	0.7
91.73442	0.2
98.19995	0.2
99.92579	5.4
100.93365	5.8
104.56175	0.2
115.92076	100.0
116.92086	3.2
116.92864	6.5
117.92516	0.5
126.29595	0.2
132.92365	0.9
137.58536	0.2
142.94411	0.2
155.95248	0.2
172.95465	6.3
173.95520	0.3
202.16533	0.2
283.26367	0.6
286.99088	0.2
348.02026	0.2
383.18893	0.5
384.19720	0.2
399.18335	0.3
409.20563	0.8
439.21609	0.3
457.22614	7.3
458.22839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05508	0.5
59.01376	4.9
61.98528	0.4
61.98825	2.3
65.91174	0.5
69.16449	5.1
71.01393	1.8
73.02966	0.8
83.01375	4.8
85.02954	1.5
85.06618	0.9
89.02463	0.9
93.03466	0.9
97.02951	0.6
101.02433	0.5
109.02956	0.7
111.00876	0.9
113.02490	0.8
119.05006	1.1
123.04565	0.8
124.01663	0.6
130.04085	0.7
134.53615	0.4
137.02454	3.0
138.03209	3.0
141.01953	3.0
143.05031	0.7
147.08142	1.4
150.03218	2.9
152.01123	1.2
153.01912	10.6
161.09734	0.7
163.03986	6.6
164.04781	2.2
165.01921	10.3
166.02695	5.6
167.03432	1.0
170.02298	1.3
170.18024	0.5
177.05554	2.0
178.02718	2.9
179.03491	7.7
181.05089	6.2
182.02190	0.8
183.02925	1.1
187.04030	1.0
189.05598	1.0
191.03496	5.9
191.07118	1.5
192.04269	3.6
193.08678	0.9
194.02089	1.0
205.05037	12.7
205.08572	0.8
206.09415	2.8
207.02980	8.6
207.06705	0.6
208.03577	1.7
209.04550	13.0
210.04773	0.6
215.03453	0.9
217.08690	2.3
219.06609	2.6
219.10187	2.0
220.85779	0.5
221.04617	0.7
221.08092	0.8
229.05005	0.6
231.10187	0.5
233.04541	28.6
233.08009	4.2
234.04936	1.5
234.08878	3.4
235.09724	47.4
236.10075	2.1
237.07567	1.2
237.11310	1.0
245.08183	1.8
247.09784	1.2
251.09277	8.3
257.08191	1.0
261.07623	4.0
262.08432	52.9
263.09195	47.1
264.09753	4.1
265.10745	1.2
267.12186	2.6
275.09317	2.1
279.08698	66.9
280.09045	3.6
286.55634	0.5
294.11081	21.1
295.11798	10.7
343.18341	0.6
385.76498	0.6
407.13455	1.5
421.20615	0.7
425.14511	85.2
426.14844	6.8
448.00839	0.6
457.17130	100.0
458.17377	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59048	0.6
60.58650	0.6
66.68755	0.5
70.22195	2.2
83.01363	3.9
90.00372	0.6
119.05038	0.9
137.02448	1.6
138.03235	2.1
141.01947	3.0
147.08258	0.6
149.09747	0.6
150.03247	3.7
152.01114	1.7
153.01918	8.6
163.04002	4.6
164.04793	2.2
165.01927	6.2
166.02693	4.0
170.02216	0.8
172.80475	0.6
177.05574	2.1
178.02747	2.6
179.03474	4.6
181.05052	3.7
190.02762	0.9
191.03532	6.2
191.07149	1.0
192.04280	3.1
193.01382	0.8
194.02100	0.9
205.05038	9.4
206.05455	0.7
206.09494	1.9
207.03012	7.6
207.04935	1.2
208.03763	1.8
209.04552	11.7
217.08716	1.7
219.06596	2.8
219.10266	1.1
221.08096	1.1
233.04530	24.9
233.08025	4.2
234.04927	0.9
234.08897	3.1
235.09732	44.7
236.10127	2.3
237.07689	0.8
245.08209	0.9
247.09737	0.9
249.11328	0.8
251.09232	7.6
261.07675	3.5
262.08432	47.4
263.09201	47.1
264.09665	3.9
265.10730	1.7
267.12387	2.1
275.09207	1.4
279.08716	56.3
280.09082	2.9
287.09097	0.6
293.10364	1.2
294.11093	14.9
295.11813	11.1
296.34659	0.7
342.72266	0.7
398.44308	0.6
407.13513	1.6
425.14484	64.9
426.14813	5.6
457.17114	100.0
458.17450	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87585	0.2
57.03428	0.3
59.01374	0.7
61.38858	0.2
67.01853	0.2
69.26688	0.9
69.27119	0.8
70.07104	0.2
71.01377	0.4
81.54121	0.2
83.01379	3.7
83.01832	0.3
85.02969	0.5
87.00875	0.3
93.03449	0.3
95.01340	0.2
96.97216	0.2
99.69205	0.2
101.03948	0.3
119.05060	0.9
124.01644	1.1
125.02357	0.3
127.73647	0.2
133.06557	0.3
135.46255	0.2
137.02402	1.2
138.03227	1.9
141.01968	0.4
143.05045	0.9
147.04550	0.2
147.08147	0.7
150.03218	1.7
152.01167	1.3
153.01909	0.6
156.00481	0.2
161.02502	0.2
161.05969	0.4
161.09721	0.4
162.03151	0.2
163.04001	8.0
163.11295	0.3
164.04796	1.6
165.01929	7.4
166.02693	3.1
167.03387	0.5
170.02185	1.2
175.07773	0.2
176.04733	0.3
177.05565	3.5
177.09242	0.3
178.02710	1.5
179.03510	3.3
182.02174	0.2
183.02960	0.5
187.04037	1.0
189.02034	0.3
189.05598	0.4
190.02631	0.2
191.03487	8.0
191.07137	1.4
192.04250	1.8
193.01369	0.3
193.08652	0.6
194.02232	0.6
195.02899	0.2
201.05533	1.0
201.09422	0.2
203.03535	0.3
203.07098	0.4
204.04272	0.3
205.05043	18.4
205.08669	0.6
206.05386	0.6
206.09456	4.4
207.02997	4.3
207.04877	0.3
207.10112	0.5
208.03668	0.5
209.04439	0.2
215.03555	0.8
216.04285	0.3
217.08644	1.3
219.06630	2.4
219.10194	0.8
221.04573	0.3
221.08104	0.6
229.05020	1.1
229.08623	0.2
231.06451	0.2
231.10393	0.4
233.04527	35.8
233.07846	2.1
234.04959	1.9
234.08923	4.1
235.09731	20.5
236.10054	0.9
245.08182	0.6
247.06050	1.2
247.09850	0.4
257.08203	0.6
259.09705	0.3
261.07663	1.7
262.08438	58.2
263.09161	22.0
264.09653	1.3
275.09180	1.0
277.10876	0.2
279.08801	0.4
287.09238	0.4
292.53171	0.2
295.11697	0.2
318.13544	0.5
407.13470	0.8
425.14499	100.0
426.14853	7.6
457.17276	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54682	0.5
59.01376	8.2
59.24373	0.4
61.98818	2.5
71.01379	0.9
71.51730	0.9
78.95890	0.6
82.45937	0.4
83.01364	4.2
89.02425	1.1
97.21372	0.4
107.05009	0.4
113.02415	0.5
119.05018	1.2
124.01704	0.8
125.02450	0.6
127.11299	0.5
136.01642	0.5
137.02434	1.2
138.03232	1.0
141.01926	0.9
143.04994	0.7
147.08092	1.0
147.68292	0.4
150.03229	1.3
151.03990	0.6
152.01170	1.5
153.01920	1.9
163.04013	8.3
163.11232	0.5
164.04816	2.2
164.35022	0.5
165.01941	10.0
166.02673	2.3
167.03510	0.6
170.02144	0.5
173.22009	0.5
177.05545	2.8
178.02673	1.4
179.03474	2.5
181.05046	1.3
187.03992	0.5
191.03514	9.2
191.07140	1.5
191.10670	0.6
192.04276	2.5
193.01385	7.1
193.08734	2.2
201.15060	0.5
205.05051	17.8
205.08514	1.1
206.09476	4.2
207.02980	2.3
209.04581	2.9
217.08772	2.2
219.06596	1.6
221.08163	5.3
233.04536	14.6
233.08250	1.5
234.05092	0.6
234.08969	5.8
235.09724	27.4
236.10056	0.7
245.07985	0.7
251.09254	1.6
261.07666	1.4
262.08438	28.0
263.09216	69.9
264.09567	3.8
277.06876	0.5
277.10068	0.5
279.08719	10.8
280.09140	0.6
287.09088	0.6
294.11139	3.1
295.11743	2.0
327.25394	1.8
353.08774	1.3
371.24390	0.5
383.13297	1.2
425.14505	100.0
426.14838	7.1
457.17136	40.8
458.17648	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	457.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01383	1.9
60.22501	0.3
61.98806	0.3
67.01891	0.5
69.03451	0.3
69.16690	2.6
71.01367	1.0
75.00864	0.6
80.38699	0.2
81.03455	0.3
83.01368	4.5
83.01822	0.4
85.02935	1.1
85.06590	0.7
89.02431	0.6
91.59219	0.2
93.03482	0.3
97.19880	0.3
98.19837	0.5
99.00873	0.4
101.02413	0.3
108.02177	0.5
111.00882	0.7
113.02429	0.7
119.04987	0.9
121.06555	0.3
124.01632	0.6
125.02441	0.9
129.01932	0.4
133.06494	0.3
135.04485	0.3
137.02417	2.4
137.06059	0.3
138.03220	2.6
139.04048	0.6
141.01947	3.6
142.02275	0.3
143.05009	0.3
147.08142	0.9
149.02457	0.5
149.09741	0.3
150.03203	2.6
151.04022	0.6
152.01094	1.3
153.01926	10.2
153.03162	0.6
154.02219	0.3
159.04527	0.2
161.02405	0.4
161.06065	0.5
161.09685	0.4
163.00357	0.4
163.03993	5.2
163.11279	0.5
164.04785	2.6
165.01915	8.9
165.05522	0.7
166.02713	5.6
167.03558	1.2
170.02167	1.7
175.07637	0.3
177.05527	1.9
177.09166	0.6
178.02704	2.6
179.03491	8.2
179.10777	0.4
180.03955	0.4
181.05048	6.2
182.02150	0.3
183.02942	0.8
187.03983	0.4
189.05531	0.4
189.09235	0.4
190.02715	0.6
191.03491	5.8
191.07062	0.9
191.10799	0.3
192.04260	2.6
193.01447	0.3
193.05026	0.4
193.08658	1.3
194.02184	0.9
195.02924	0.5
195.06602	0.8
195.10281	0.3
201.05429	0.4
203.03513	0.4
203.07054	0.3
205.05042	12.1
206.05560	0.4
206.09436	3.0
207.00996	0.5
207.03000	8.1
207.05074	0.9
207.10194	0.8
208.03734	1.4
209.04535	13.9
209.08055	0.8
210.04858	0.5
215.03560	0.7
217.08684	1.8
219.03062	0.4
219.06689	2.3
219.10207	1.5
221.04535	0.3
221.08115	0.7
223.09715	0.4
229.04935	0.6
231.10336	0.3
233.04527	24.7
233.08005	4.3
234.05005	1.2
234.08913	3.2
235.09723	42.6
236.07986	0.3
236.10063	1.9
237.07603	1.1
237.11354	0.6
245.08133	1.3
247.05988	0.6
247.09729	0.9
248.74741	0.3
249.11327	0.5
251.09221	9.5
251.13060	0.5
257.08145	0.7
261.07614	3.2
262.08426	48.8
263.09189	41.0
264.09753	3.2
265.10730	1.2
267.12326	3.4
275.09189	1.5
277.10693	0.3
279.08704	64.7
280.09018	3.4
287.09229	0.5
293.10248	0.6
294.11072	17.3
295.11813	8.7
296.12210	0.4
305.10001	0.3
307.11841	0.5
385.42575	0.3
407.13483	1.2
425.14487	71.4
426.14890	5.2
439.16013	0.5
457.17105	100.0
458.17480	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	457.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88532	0.2
56.89574	0.2
57.03447	0.4
59.01377	2.0
61.98812	0.5
67.01884	0.5
71.01385	1.1
71.52588	0.3
71.53784	0.3
75.00881	0.5
78.95886	0.3
79.01894	0.3
83.01368	4.2
83.01818	0.3
83.13200	0.2
83.51759	0.2
85.02940	0.7
85.04393	0.3
85.06597	1.0
87.00911	0.2
89.02470	0.6
97.02939	0.5
98.96983	0.2
99.00885	0.3
101.02444	0.7
108.02205	0.2
109.02930	0.5
111.00883	0.6
113.02408	0.3
119.05006	0.6
121.02943	0.3
121.06550	0.6
122.03776	0.3
123.00839	0.3
123.04512	0.3
123.08200	0.3
124.01645	0.7
125.02444	0.5
136.98766	0.3
137.02434	2.6
137.06058	0.4
138.03224	2.8
139.00273	0.3
139.03996	0.5
139.07663	0.2
139.60107	0.2
141.01938	2.8
143.05009	0.6
145.02861	0.3
147.08188	1.3
149.09694	0.5
150.03214	3.2
152.01146	1.0
153.01935	10.5
154.02209	0.3
160.86258	0.3
161.02432	0.4
161.09727	0.9
163.00381	0.3
163.04004	5.5
163.11308	0.5
164.04785	2.1
165.01932	9.0
165.05475	0.4
166.02707	5.1
167.03470	1.0
170.02158	1.4
176.04784	0.4
177.01653	0.2
177.05547	2.0
177.09186	0.5
178.02687	2.4
178.06122	0.2
179.03506	8.0
179.07048	0.3
179.10718	0.3
181.05063	5.2
182.02217	0.3
183.02975	0.9
184.03831	0.3
187.03999	0.4
189.05563	0.4
189.09230	0.5
190.02724	0.3
191.03493	5.4
191.07156	1.0
191.10789	0.6
192.04288	2.9
193.01501	0.3
193.05019	0.2
193.08733	1.1
193.12396	0.3
194.02138	0.7
195.02908	0.4
195.06630	0.6
201.05553	0.6
201.09195	0.3
203.03549	0.4
203.07117	0.4
205.05046	10.9
205.08565	0.4
206.05453	0.5
206.09518	2.7
207.03003	8.8
207.05063	0.8
207.10329	0.6
208.03685	1.2
209.04539	12.6
210.04895	0.7
215.03380	0.3
217.08675	2.1
219.03015	0.4
219.06715	1.8
219.10310	1.3
221.04546	0.4
221.08150	0.8
223.09834	0.4
229.05043	0.7
231.10127	0.4
233.04543	23.6
233.08017	3.8
234.04927	1.4
234.08899	2.6
235.09732	42.4
236.07713	0.3
236.09958	1.9
237.07658	0.7
237.11288	0.6
245.08192	1.0
246.08891	0.4
247.06129	0.7
247.09721	1.1
249.11264	0.6
251.09253	7.5
252.09686	0.4
254.05771	0.7
257.08160	0.8
257.47925	0.2
259.09561	0.5
261.07690	3.4
262.08444	46.7
263.09198	39.5
264.09784	3.5
265.10840	0.9
267.12363	3.5
275.09216	1.4
276.35257	0.3
277.10794	0.3
279.08713	62.6
280.09094	3.3
287.09274	0.5
289.10895	0.5
293.10397	0.5
293.79303	0.3
294.11087	17.2
295.11810	7.8
295.15237	0.4
296.12091	0.4
307.11862	0.5
407.13519	0.9
425.14505	64.0
426.14841	5.1
447.70502	0.2
457.17126	100.0
458.12509	0.3
458.17477	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44956	0.7
53.04162	0.8
58.44085	0.7
59.01370	2.7
61.98829	25.3
71.01385	1.3
71.52046	1.3
83.01372	2.0
87.44044	0.7
89.02444	1.1
95.04963	0.8
97.03004	0.8
99.04502	1.6
101.02469	0.9
111.00896	1.0
123.04546	1.0
123.95101	0.8
137.02455	1.0
138.03195	1.1
139.00400	0.7
139.04010	1.8
139.92549	0.7
140.90825	0.7
141.01933	3.0
145.75522	0.8
149.02406	1.0
153.01918	6.7
163.04001	1.3
165.01944	4.5
166.02670	1.9
167.03482	6.0
181.01439	7.9
181.05048	8.4
182.02209	24.2
183.02972	21.5
183.93712	0.7
191.03517	1.8
194.02257	2.7
195.02979	8.7
206.02222	1.2
207.02847	0.8
209.04539	20.0
210.05135	3.1
219.03036	2.1
220.03729	0.9
222.01633	1.7
223.06114	8.9
233.04582	1.8
236.03223	1.3
237.04027	39.6
238.04556	4.4
249.07703	1.2
251.05562	8.5
252.06190	1.2
257.36795	0.8
265.07153	3.6
266.07904	5.1
275.81036	0.8
277.07083	1.8
294.07440	38.7
295.08173	13.1
345.08344	5.0
369.13290	2.6
379.94189	0.9
397.19754	1.4
457.13477	100.0
458.13657	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98818	3.3
69.03451	0.6
69.34810	4.1
71.01411	0.6
72.41727	0.5
83.01379	2.4
96.95991	0.6
97.02978	0.9
98.19915	0.9
111.00862	1.4
123.04529	1.1
123.61542	0.6
137.02408	2.1
138.03203	1.2
139.00320	0.7
139.03990	1.1
141.01970	3.7
150.03117	0.8
151.04001	1.0
153.01926	7.2
163.03967	0.6
165.01956	4.5
165.05508	0.6
166.02634	1.7
167.03508	4.0
177.05585	0.6
179.03511	0.7
181.01443	6.0
181.05043	9.4
182.02199	21.4
183.02979	21.2
191.03458	1.8
194.02084	1.9
195.02950	7.9
205.05005	1.4
206.02257	1.1
207.03021	0.7
209.04543	18.0
210.05194	1.7
219.02943	2.7
222.01772	0.7
223.02557	0.9
223.06090	9.5
233.04582	1.8
234.05295	0.7
235.09697	1.7
236.03247	0.8
237.04034	36.6
238.04645	4.5
249.07683	1.0
250.04753	0.9
251.05560	9.9
252.06149	1.7
262.08423	2.5
263.09180	2.1
265.07135	2.9
266.07947	4.6
276.06381	1.4
279.08707	2.6
293.06644	0.9
294.07437	34.5
295.08203	14.4
296.08740	0.8
312.60135	0.6
337.07150	1.4
345.08273	5.4
363.02649	0.6
369.13528	0.9
425.14383	3.8
457.13391	100.0
458.13696	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.3
61.98821	2.3
65.99824	3.3
69.25240	5.5
71.01367	2.1
78.40615	0.7
80.91686	1.4
83.01370	6.0
85.02934	2.1
89.02441	1.6
93.03417	1.2
96.15385	0.8
98.02477	1.3
101.02456	1.5
107.01362	0.7
108.35822	0.7
109.02959	0.8
111.00874	1.7
113.02456	1.1
123.00911	1.0
125.02470	1.1
133.03024	1.0
137.02397	3.5
138.03267	4.5
139.03603	0.8
141.01935	4.3
145.06474	0.8
147.04492	1.0
148.22691	0.9
149.02438	1.5
150.03218	1.2
151.04037	1.0
153.01924	6.4
153.05573	0.8
163.03973	1.2
165.01921	14.9
165.99017	1.7
166.02696	3.9
167.03461	4.7
168.03799	0.9
170.02179	2.3
171.02477	1.3
177.01801	0.8
177.05569	1.6
178.99799	1.6
179.03511	1.4
180.99980	1.2
181.01421	12.8
181.05072	1.2
182.02191	37.6
183.02982	16.9
189.05498	1.4
191.03426	1.5
192.07829	1.4
193.01404	3.5
193.05118	0.9
194.02151	3.4
195.02873	4.1
195.13893	0.9
205.05029	3.0
207.06619	0.9
209.00883	22.5
209.04408	1.5
210.01671	35.1
211.02434	13.8
219.02969	2.3
219.28387	0.9
221.00899	30.7
222.01558	2.5
231.06552	2.4
232.07430	0.9
233.04500	1.8
233.08197	1.5
235.09604	1.8
237.00374	4.4
237.04059	1.5
247.02477	2.2
248.06879	5.3
249.07648	5.0
250.08328	1.4
259.06097	3.7
261.03955	6.3
262.08453	1.3
266.07944	2.2
267.08618	1.4
276.06354	22.8
277.07135	9.2
277.14014	0.8
278.07513	1.1
279.08817	1.7
285.87183	0.8
294.07391	17.5
295.08096	4.8
345.08234	5.8
357.08215	2.6
358.08554	7.8
375.20212	1.8
384.07001	4.6
397.18167	2.2
425.09061	3.3
425.14191	1.4
429.13785	1.5
439.12372	33.7
440.12720	3.1
448.00879	0.9
457.13443	100.0
458.13742	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.8
65.00299	0.6
69.03429	1.1
69.72678	0.9
69.72961	4.0
71.01385	9.4
81.03450	0.7
83.01385	23.4
83.01894	1.1
85.02932	2.5
89.02450	7.0
95.01363	1.9
97.02914	1.2
101.02432	4.2
105.07089	0.7
107.01359	0.8
109.02953	1.4
111.00837	1.5
113.02419	3.4
114.93373	3.0
116.92848	3.1
119.03469	1.6
119.05014	1.3
121.06539	2.8
123.00803	0.7
123.04520	19.0
125.02422	6.2
133.02959	0.9
133.06593	2.9
135.04465	1.0
135.08128	1.2
137.06070	1.7
137.96524	0.6
139.07596	0.9
145.02911	2.1
147.04524	3.2
149.06128	4.2
149.07076	0.8
151.00352	2.8
151.03989	8.5
153.01947	12.2
161.02419	2.0
161.04601	0.8
161.05997	0.8
161.65646	0.6
163.03957	1.7
163.07587	1.7
165.05542	3.7
167.07124	2.8
169.01431	3.7
173.06046	1.0
177.01912	1.0
179.03506	1.4
189.05563	31.9
190.05899	1.3
191.03482	1.2
191.07159	2.0
193.05139	0.9
197.00882	2.3
205.01305	0.9
205.05011	1.5
205.08658	0.9
207.02982	8.5
207.06564	6.4
208.06799	0.7
215.07101	1.6
231.06624	1.1
233.04530	5.2
233.08197	6.4
233.44502	0.7
234.05267	3.1
235.06030	2.7
247.06059	1.0
248.06831	1.7
249.30167	0.7
259.06012	2.0
277.07150	36.4
278.07529	1.3
280.88361	0.7
287.05524	0.8
303.05045	6.7
397.16821	3.6
413.10800	0.9
431.80881	0.8
457.13474	100.0
458.13739	6.8
480.59180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0775
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.73965	0.2
52.21505	0.3
53.45247	0.2
56.84241	0.2
57.03444	2.3
59.01368	0.6
61.98833	0.5
64.03858	0.3
67.01882	0.4
69.03444	1.7
69.26041	1.4
69.26447	0.7
71.01381	0.4
79.01897	0.6
81.03453	1.3
83.01389	1.2
89.02437	0.3
89.09668	0.3
93.80194	0.3
95.05006	0.3
96.73790	0.2
97.02950	1.7
101.02421	0.3
104.10750	0.3
105.03473	0.8
107.01386	1.2
107.05035	0.4
109.02944	1.0
111.04481	0.3
121.06545	0.4
123.00861	1.1
123.04531	1.0
124.01669	0.8
125.02439	67.3
126.02795	1.4
133.02950	1.4
134.03688	0.3
135.04517	1.0
137.02457	2.2
139.03947	1.1
143.05141	0.3
149.02414	0.5
149.06064	1.0
151.03970	0.7
153.01891	0.4
161.02431	10.5
162.02946	0.4
165.01912	1.8
165.05557	0.4
166.02640	0.3
166.99854	0.4
167.03490	1.7
167.07072	0.3
169.01410	100.0
170.01770	2.4
175.04056	0.4
177.05531	0.8
179.03439	1.5
182.02202	0.8
183.03018	1.3
189.05508	0.5
193.01401	2.3
197.00845	0.8
201.05540	0.4
205.01416	0.4
207.06549	0.4
217.04976	0.3
219.06543	1.0
221.04520	0.5
227.03404	0.4
233.06801	0.3
235.06070	0.4
251.08211	0.4
261.07571	0.3
269.04510	1.0
277.07156	0.9
277.10361	0.3
287.05557	0.8
305.03333	0.4
305.06644	5.9
319.04507	0.3
331.04581	2.1
345.08163	2.4
360.07156	0.3
388.24899	0.3
439.12079	0.5
448.75803	0.3
450.84775	0.2
457.07443	1.2
457.12775	1.4
457.17261	2.2
458.12939	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	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03447	4.8
59.01379	9.0
59.67072	0.8
61.98800	1.1
65.99723	0.8
69.03455	1.7
69.57144	0.9
69.86175	1.2
69.86585	3.0
71.01379	15.2
72.99319	4.1
73.02937	0.9
75.00874	55.7
76.69073	0.8
78.95908	2.1
83.01372	1.1
85.02943	13.4
87.00871	12.0
89.02448	3.7
97.02930	1.4
98.19995	1.6
99.00869	4.4
101.02439	1.6
109.42913	0.8
111.00890	2.7
118.08489	0.9
122.10361	1.0
129.01945	15.8
141.01904	1.7
145.06143	1.0
159.03009	6.0
161.02457	1.6
177.04041	60.9
178.04382	0.9
195.05092	2.7
227.65346	1.0
254.55832	0.9
255.23146	1.1
256.23621	3.1
257.23904	1.3
258.24103	2.9
277.21719	44.6
278.22067	2.3
373.01877	1.1
386.55841	1.1
455.26477	100.0
455.73343	0.9
456.26797	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	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20313	0.4
59.01375	1.2
61.98828	100.0
63.38008	0.3
64.79375	0.3
67.26597	0.3
71.51740	0.4
71.52111	0.4
75.00847	0.4
83.01399	0.9
88.98808	1.3
89.02449	0.6
96.96008	0.8
96.96954	0.5
101.02436	0.5
123.04532	0.7
125.02452	1.6
145.03029	0.4
149.06113	1.1
153.01888	0.5
161.02393	0.5
162.19392	0.4
165.01953	0.5
169.01447	2.6
172.42694	0.3
182.02234	0.4
197.00948	2.6
233.08040	0.4
240.04631	0.7
240.54672	0.6
249.70192	0.3
305.06641	0.4
309.12000	0.5
359.06564	0.4
360.07111	0.9
439.12634	0.4
457.13202	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	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90420	0.2
57.03448	0.2
58.25415	0.2
59.01389	0.5
61.98828	100.0
68.55682	0.3
69.97472	1.0
71.01405	0.2
78.99599	0.2
79.14922	0.2
86.63824	0.2
107.71360	0.2
137.40616	0.2
142.53052	0.2
155.19121	0.2
176.60846	0.2
204.50365	0.3
223.46100	0.2
310.12430	0.3
313.45258	0.2
376.82733	0.3
396.18314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0773
Annotation	(-)-Gallocatechin gallate
Peak:m/z	Relative Intensity
50.38282	0.8
51.58482	0.8
57.03447	3.5
65.00325	2.2
67.01892	1.3
68.99819	2.7
70.96926	1.0
70.97266	1.4
71.76913	0.8
79.01884	1.1
81.03455	1.4
83.01383	8.1
85.02969	0.8
93.03454	1.0
95.01391	1.1
97.02991	0.7
103.02215	0.7
105.03463	2.9
107.01393	4.7
109.02952	3.8
121.02927	2.7
122.03751	2.5
123.00867	13.1
123.04517	42.4
124.04824	1.1
125.02438	48.1
133.02890	1.3
137.02460	1.8
139.00363	3.3
140.54762	0.9
141.01903	2.0
149.02383	3.1
150.03238	6.6
151.00368	26.2
151.03998	98.8
152.04337	2.8
153.01926	90.6
154.02266	2.8
161.02411	5.4
164.01126	0.8
165.01979	1.0
169.01404	21.6
170.01692	0.8
177.01878	1.1
179.03467	1.1
183.02991	2.4
194.52464	0.7
197.00867	1.0
221.30338	0.9
257.04562	3.2
269.04587	1.5
275.05603	1.0
287.05569	6.3
303.05066	100.0
304.05341	6.4
305.06586	3.0
331.04532	1.6
334.34045	0.7
338.42609	0.9
339.99185	0.8
366.66150	0.8
457.07559	7.3
457.13309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2494
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
53.02486	0.8
57.03448	0.9
58.00587	2.2
58.46245	0.7
59.01378	62.0
61.98830	8.3
65.10393	0.8
65.72344	0.7
70.70621	2.0
71.01382	44.5
72.99319	5.1
73.02949	2.7
75.00871	1.5
78.95889	5.8
83.01393	2.9
85.02943	10.4
87.00872	3.3
89.02444	59.7
95.01377	3.4
99.00880	1.5
101.02440	28.3
105.25249	0.8
106.09010	0.8
113.01716	1.4
113.02448	17.4
119.03506	27.2
125.06078	1.7
131.03487	2.7
134.04707	1.6
135.04558	1.1
143.03517	3.7
145.02907	2.2
149.02455	1.1
149.04568	2.2
149.06064	1.9
151.07660	7.5
152.08437	21.2
153.09000	1.0
156.27290	0.8
161.04520	5.0
165.09119	1.8
171.10242	1.8
175.00354	2.4
178.09929	0.9
179.05634	9.9
180.05949	1.0
189.09372	0.9
190.02644	4.0
197.11852	1.9
203.10754	5.4
204.11336	0.9
205.05020	4.4
214.41052	0.8
215.10776	1.2
217.12318	5.9
218.13074	3.6
259.68552	0.9
273.18530	5.0
281.75662	0.7
289.41470	0.8
290.04340	1.5
291.19675	5.8
301.16458	2.6
305.77332	0.8
333.20874	1.0
381.93878	1.0
390.20181	1.2
435.23792	3.0
438.22437	1.9
453.18329	4.2
453.24890	100.0
454.25348	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84810	0.3
61.98828	100.0
65.66661	0.3
70.99631	0.5
120.96592	0.2
253.70518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88953	0.2
59.01379	0.2
61.98827	100.0
62.98531	0.2
71.08835	0.3
71.09205	0.4
86.51173	0.2
99.84570	0.2
104.44739	0.2
224.15329	0.2
296.76251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0973
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.00575	0.3
58.67415	0.2
59.01377	0.4
62.96385	0.4
70.83482	0.5
78.95902	84.5
96.96961	100.0
99.92625	0.3
116.92871	1.8
126.01997	0.5
138.98035	4.0
144.04543	1.1
144.08197	0.3
146.06117	0.8
169.07855	0.3
170.06155	0.3
172.04105	0.5
184.08798	0.7
188.07143	0.6
190.05096	1.5
198.06761	1.4
199.00133	12.0
212.08292	5.2
213.01698	11.2
213.06741	0.7
241.07286	4.9
242.07666	0.4
243.08861	0.3
255.08858	6.0
256.09204	0.5
261.77591	0.4
317.07910	0.5
353.73709	0.3
455.09695	28.5
456.09933	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	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03442	2.3
59.01378	22.3
61.98828	13.3
68.71616	1.4
71.01377	31.2
71.91420	1.7
73.02942	12.4
78.95892	5.3
83.01381	6.5
85.02944	14.0
87.00876	2.1
89.02457	12.4
95.01334	1.7
96.96963	2.1
97.02914	2.0
99.00855	6.5
101.02435	29.4
113.02461	13.6
117.03452	2.9
119.03546	2.4
119.05001	2.3
125.02399	4.1
133.02931	4.8
133.87808	1.5
145.02959	11.0
152.71030	1.8
157.06488	1.8
159.02924	2.1
161.02449	18.9
161.04556	8.1
163.03989	2.8
175.04004	1.5
176.92665	1.4
177.73039	1.3
178.99931	1.6
183.02930	2.6
186.13316	1.4
227.03535	1.6
235.02321	1.6
263.14948	26.0
271.87787	1.5
272.40067	1.5
292.05719	2.3
293.06741	1.8
309.11926	13.6
395.19186	100.0
396.19278	7.8
455.10599	2.1
455.16010	2.9
455.25116	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83327	1.1
78.95889	7.0
79.17554	0.7
80.36237	0.7
84.72960	0.8
96.96952	0.9
118.89352	0.8
152.99573	15.3
153.00679	1.6
154.87567	0.8
171.00644	1.1
209.11789	2.2
227.03212	3.5
227.20143	100.0
228.20482	5.9
245.04158	1.0
437.92310	0.9
443.20074	0.8
455.24066	32.1
455.31412	10.4
456.24197	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	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.98825	0.5
71.00453	0.4
78.95902	17.9
95.90793	0.2
101.84116	0.2
122.00127	0.8
134.98500	0.5
140.01186	5.6
152.99591	1.6
166.02786	0.4
171.00616	0.2
196.03796	9.8
197.04112	0.3
214.04852	2.2
241.92249	0.2
255.23280	100.0
256.23618	6.0
452.27795	32.3
453.28125	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79250	0.8
50.79531	0.8
59.01373	1.9
61.98839	2.1
65.00320	11.8
67.01891	1.6
71.52349	1.0
74.57761	1.0
78.95918	1.2
83.01389	3.6
87.00878	1.1
111.00932	1.0
124.01670	26.8
141.01920	1.7
152.01164	11.5
153.01926	5.1
156.00653	14.8
181.01332	1.1
183.02898	1.7
200.70964	0.9
225.05659	1.8
235.07658	1.9
239.90730	1.0
249.05515	1.3
254.05882	1.9
255.06657	6.6
261.09088	1.6
267.06677	3.4
269.04617	3.3
273.09515	1.0
275.07117	1.1
278.05841	2.1
279.06577	8.0
290.05716	4.4
291.06647	13.4
293.04544	6.1
293.07907	1.8
294.05353	14.7
295.06104	11.2
303.06638	8.6
305.04797	1.4
305.08167	3.0
306.05328	2.4
307.06195	3.1
309.04181	1.8
317.08173	2.9
318.05325	9.6
319.06088	6.8
320.06619	1.5
321.04120	1.5
322.04794	4.5
323.05630	8.9
333.03897	2.6
333.07706	11.8
345.07642	8.0
346.04761	12.4
346.08383	1.3
347.05652	8.2
351.04791	1.3
352.06235	1.2
361.07187	20.9
362.07333	2.7
374.04318	30.8
375.04971	9.0
376.05719	1.5
378.03943	2.0
389.06665	30.7
390.06802	3.0
394.53604	1.0
407.07678	12.2
408.08243	1.4
417.06152	50.9
418.06519	5.2
435.07172	100.0
436.07596	8.3
453.01727	1.7
453.08200	34.1
454.08362	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03439	2.5
59.01377	13.2
59.01671	0.5
61.98832	4.6
70.00223	0.6
70.13390	2.2
71.01378	25.3
72.91155	0.6
73.02937	12.8
80.04285	0.7
81.03435	0.7
83.01384	6.4
85.02946	12.0
87.00867	1.9
89.02448	5.3
93.03450	1.2
95.01378	1.9
97.02939	1.4
98.20675	0.9
99.00877	6.3
101.02436	28.1
107.01379	1.2
108.01682	0.7
109.02922	0.9
113.02442	12.2
125.02480	3.1
129.02025	0.6
131.03484	1.4
133.01349	1.3
135.04510	0.8
137.02394	1.2
138.02791	0.7
143.03514	1.4
145.02902	0.9
151.00348	7.7
152.00711	3.2
153.00819	2.6
157.08676	1.9
159.03032	3.8
161.02457	1.4
161.04536	13.8
161.06033	2.8
169.01385	4.8
170.01752	2.0
171.01852	1.5
175.03952	0.8
178.95018	0.6
192.59958	0.7
219.10210	8.1
220.10429	0.8
233.06726	1.0
249.68201	0.8
261.13400	28.6
262.13785	0.7
289.06967	1.0
293.08929	0.7
393.17621	100.0
394.17780	7.0
453.09210	15.3
453.23581	1.1
454.09872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33631	1.3
61.02032	1.7
66.78950	1.4
71.52876	1.5
78.95904	45.0
88.24376	1.3
90.44289	1.5
91.90651	1.5
96.96959	4.0
106.67101	1.9
112.85523	1.6
152.99573	58.0
171.00621	18.3
171.36195	1.7
176.59930	1.7
225.18587	60.7
226.18889	3.0
227.03197	4.0
229.29608	1.7
245.04289	100.0
246.04622	2.6
252.65854	1.7
307.02353	1.8
453.22562	42.1
454.22955	4.0
464.51297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.0
59.01379	53.9
61.98822	2.4
71.01379	9.6
72.99331	0.8
73.02948	1.3
78.95909	1.1
83.01359	0.6
85.02944	3.7
86.72886	0.5
87.00838	0.7
87.04504	3.9
89.02440	10.7
93.03468	0.6
101.02439	4.4
101.16214	0.5
103.04009	100.0
104.04345	1.5
113.02444	3.6
119.03498	5.4
119.04942	0.6
134.04811	0.6
143.03549	0.9
145.02939	1.6
145.12360	0.7
151.07661	1.0
152.08430	2.8
161.04535	1.3
168.00642	0.5
175.02542	0.5
179.05624	1.6
182.02238	0.5
183.02913	0.6
185.03265	0.4
203.10822	0.8
217.12367	0.5
247.08228	0.8
279.38968	0.5
288.06226	0.5
289.07062	0.9
290.07178	1.0
291.07956	0.9
307.17691	2.5
393.21442	0.9
453.13235	3.0
453.25232	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32949	1.3
57.02023	1.2
59.01364	4.4
61.98828	1.4
67.01859	1.1
71.01373	2.1
71.51102	1.2
73.02943	3.2
73.54004	1.1
75.00857	1.5
78.95885	3.6
83.01385	7.4
83.81451	1.1
85.02928	2.5
87.00873	100.0
101.02436	4.9
111.00885	16.7
112.98811	1.4
127.00346	1.5
129.01936	5.8
147.02983	3.7
277.21713	56.3
278.22003	4.8
291.23251	2.2
331.22635	2.2
389.23230	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	451.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.06723	1.6
61.98812	1.9
62.67339	1.5
67.23523	1.4
68.93766	1.4
71.52435	2.4
81.03448	2.8
83.05021	13.6
99.40970	1.8
103.87960	1.5
141.96695	1.6
184.13751	1.6
391.29669	49.9
392.29803	5.0
451.15659	2.2
451.28400	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	451.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.3
59.01369	0.3
61.98532	0.1
61.98829	1.4
70.25007	0.1
71.52243	0.1
75.95624	0.1
78.47568	0.1
78.95899	0.1
80.05027	0.4
81.03455	8.1
82.03789	0.1
82.06594	0.1
83.05022	22.7
84.04548	0.1
84.05354	0.4
99.44714	0.1
100.07660	0.2
101.02472	0.1
102.94444	0.1
104.50450	0.1
107.06141	0.7
108.04566	0.8
109.02929	0.2
118.68563	0.1
125.07209	3.1
126.05627	0.5
140.10815	0.1
143.08253	1.4
157.13422	0.1
161.02411	0.2
166.12456	0.1
177.01889	0.2
183.14917	0.1
189.01935	0.5
190.02658	0.1
191.03432	0.1
199.18169	0.1
207.15009	2.8
208.13373	0.2
208.15356	0.2
217.01416	0.3
219.02911	0.1
224.15399	0.2
224.17665	4.3
225.16068	12.3
226.16382	0.5
242.18750	1.4
250.15578	0.4
268.16626	0.3
290.22458	0.3
291.20743	0.1
292.20474	0.1
306.21948	0.2
307.23978	0.3
308.23563	0.1
309.21805	0.6
311.05609	0.1
313.05673	0.1
324.26541	1.7
325.26596	0.1
333.22943	4.4
334.23575	0.4
336.98404	0.1
339.27716	0.2
341.06512	0.7
341.29199	0.1
350.24524	0.1
351.23959	1.2
357.05997	0.1
367.27036	1.3
383.30130	0.1
385.28076	0.3
433.31805	6.3
434.32346	0.6
451.32861	100.0
452.33182	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	452.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20225	0.4
59.01368	1.1
60.20864	0.3
61.98824	100.0
69.33223	2.4
71.01365	0.5
76.03072	0.3
78.95904	0.5
83.01414	0.4
88.70305	0.3
121.03003	0.4
145.02946	0.5
350.69144	0.4
453.25424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02187	0.3
57.92398	0.3
59.01374	2.4
60.81468	0.3
61.98827	100.0
62.29086	0.3
71.01386	1.3
71.52769	0.4
78.95908	0.8
79.49861	0.3
85.02946	0.6
87.00877	0.4
87.04534	0.6
89.02457	0.9
101.02455	0.7
102.41895	0.3
113.02478	1.2
145.03000	0.4
148.41249	0.3
152.03537	0.4
161.04442	0.5
161.91248	0.3
165.12845	3.1
171.10265	0.3
172.88795	0.3
175.02600	0.5
180.03044	0.6
183.13898	8.4
224.05722	0.6
227.12877	24.5
228.13211	0.9
251.12924	1.2
269.13852	0.5
300.11459	0.4
305.16187	0.3
329.16180	0.3
353.83853	0.3
389.18103	3.5
389.25238	0.7
479.95322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1243
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03443	1.5
81.03465	2.0
83.01369	2.2
84.16636	0.4
85.20695	0.3
85.75320	0.4
86.65096	0.4
89.03992	0.4
93.03452	1.1
95.01405	0.5
95.05019	2.6
97.02951	4.6
103.52336	0.4
108.02184	0.7
109.02950	18.9
109.03706	0.9
121.02941	2.5
123.04523	12.4
125.02443	13.2
133.03072	0.4
135.04530	1.4
137.02434	9.5
138.03246	0.7
139.03986	2.9
145.02904	0.6
146.03711	0.7
149.02440	5.1
150.03215	1.0
151.00371	0.6
151.04010	7.5
159.04503	1.7
159.25043	0.4
160.05309	1.1
161.02400	1.6
161.06033	3.4
162.03241	1.5
163.03990	1.2
164.01147	2.3
165.01912	3.8
167.03479	1.5
173.06096	0.8
175.03943	2.1
175.07587	1.9
177.05595	0.6
179.03506	4.8
185.06035	0.9
187.03995	3.2
188.04776	3.1
189.01936	0.8
199.07654	0.5
201.05437	0.6
202.06398	2.1
203.03471	1.1
203.07127	10.4
205.05052	6.7
217.08676	0.8
221.08130	2.4
227.07101	2.0
230.05855	0.7
231.02983	0.8
245.08160	14.7
246.08626	0.5
247.05956	0.8
259.72595	0.4
271.06131	1.7
289.07162	100.0
290.07535	5.5
313.07181	1.6
367.96295	0.4
430.92236	0.4
449.58627	0.4
451.12872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
61.98812	3.3
69.55949	7.3
71.01376	1.8
96.96011	1.5
105.03370	1.2
108.99947	1.1
133.02953	19.3
134.03758	2.6
135.04535	8.7
137.02428	2.4
141.14006	1.4
153.01939	2.8
157.12312	4.8
161.02434	100.0
162.02789	2.1
174.03195	1.5
178.02773	2.0
179.03459	3.5
187.89378	1.1
203.12862	17.4
245.13797	1.5
259.16956	4.0
261.14951	1.1
264.18762	1.2
272.13007	1.1
275.16577	2.9
280.68777	1.3
293.04630	2.0
303.15994	29.1
304.16257	2.2
317.48044	1.4
319.15436	19.1
321.03922	2.8
322.04691	1.4
329.13898	3.3
347.14975	29.4
365.16019	30.8
366.16364	2.9
407.17084	19.1
408.16940	1.6
419.49274	1.1
433.35516	1.4
451.06516	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	451.1034
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
56.14267	1.1
57.03444	7.3
59.01385	7.7
61.98834	13.8
62.27130	1.4
69.03444	1.8
70.96014	1.3
71.01387	1.7
71.53485	2.0
74.47757	1.2
81.03464	5.6
83.01392	8.2
89.02440	1.9
93.03474	3.3
95.05046	3.2
96.95987	1.6
97.02948	4.9
101.02466	1.8
108.02138	1.5
109.02945	45.3
110.03313	1.8
111.64901	1.3
117.03461	2.8
119.05048	8.1
120.99701	2.4
121.02946	4.7
122.03614	1.5
123.04514	12.1
125.02442	54.7
126.02819	1.5
133.02954	20.3
134.03703	1.2
134.80156	1.2
135.04520	58.8
136.04871	1.4
137.02438	100.0
138.02777	2.8
139.04031	2.4
145.02940	18.9
146.03745	3.2
147.04492	7.6
149.02419	4.1
150.03204	1.8
151.03999	10.5
159.04517	15.4
161.02440	55.4
161.06039	5.9
162.02762	1.5
163.04012	10.6
164.01193	3.0
165.01906	3.5
167.03487	2.7
169.01373	2.2
173.06047	2.2
175.02634	1.6
175.03920	5.8
179.03490	56.7
181.01643	1.7
182.02194	4.1
183.02727	4.9
184.03282	2.0
185.06093	2.0
187.03990	5.0
188.04713	2.5
189.02097	1.3
202.06377	1.5
203.03477	15.0
203.07127	10.0
205.04994	5.7
225.05635	1.2
227.07207	1.5
229.04987	1.6
234.64490	1.4
245.08121	10.8
253.05048	1.2
266.50528	1.2
269.08170	26.2
271.06079	7.3
281.08145	1.7
285.04199	1.5
285.07455	1.8
288.71826	1.2
289.07166	52.6
290.07446	1.9
313.07257	1.5
323.04584	1.3
331.06714	2.8
341.06668	5.8
347.24582	1.4
388.09714	5.1
407.11395	3.0
431.58060	1.4
448.53119	1.3
450.28226	1.5
451.10449	18.7
451.19632	2.1
452.10699	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	451.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14810	1.7
56.79773	1.6
59.01387	3.1
61.98833	12.4
65.00322	7.6
65.18933	1.4
70.56487	1.6
71.53035	2.2
81.03457	2.1
83.01384	11.8
87.68582	1.7
98.29552	1.6
107.01380	2.8
109.02940	2.9
111.00884	3.9
135.00897	1.7
136.98798	9.2
153.01915	37.7
154.02271	1.7
181.01411	19.5
191.87717	2.0
225.05591	2.1
230.65579	1.8
249.05637	6.2
261.09268	3.5
262.06717	2.0
265.05014	2.8
269.04504	16.8
270.04974	2.1
287.09213	2.3
291.06619	12.4
293.04520	40.0
294.05194	7.0
295.06186	5.9
305.08121	9.9
317.04523	4.4
317.08170	3.5
318.05344	5.8
321.04007	38.0
321.07639	2.3
322.04483	5.0
333.04218	2.2
333.07660	8.3
346.04776	3.1
349.07382	2.6
361.07382	7.4
362.04407	10.5
389.06647	5.2
405.06091	30.8
406.06036	2.6
433.05606	10.8
451.06818	100.0
452.07297	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84360	0.5
59.01373	0.6
61.98838	0.9
65.17117	0.4
69.66631	2.7
71.90057	0.5
80.40494	0.6
89.03963	0.6
91.01883	0.6
93.03477	1.2
98.20625	0.9
103.05503	0.7
105.03516	0.5
108.02176	1.0
109.02948	22.8
117.03484	1.7
119.05045	1.3
121.02972	1.4
123.04528	13.0
124.15940	0.5
125.02469	1.3
128.48439	0.5
133.02953	4.2
134.03748	0.5
135.00867	0.7
137.02432	0.6
139.03998	0.9
145.02942	3.0
147.04488	3.0
149.02448	0.6
150.03259	0.9
151.04010	6.0
153.01985	0.8
156.41164	0.5
159.04530	1.7
161.02417	7.6
162.03146	1.0
163.04018	0.8
167.03528	1.4
173.02351	0.7
175.03990	0.7
176.01140	0.8
177.01923	23.4
178.02235	0.7
187.03978	1.7
189.01924	53.1
190.02682	11.1
191.03499	10.9
192.03917	0.6
203.03479	5.7
213.01782	0.5
216.00607	6.9
217.01402	36.8
218.01892	2.7
219.02979	12.4
220.03300	0.7
231.02962	9.9
232.03668	0.9
233.04527	1.5
245.03569	0.6
255.02904	0.7
257.03616	0.9
258.03610	0.8
271.02600	0.5
272.02832	1.1
273.03094	1.4
274.03351	0.8
275.03506	1.7
281.04486	2.0
289.07150	3.3
297.07562	0.6
299.05536	2.1
301.03189	1.4
302.03406	2.6
303.03720	3.6
304.04010	4.6
305.04581	2.1
311.05679	1.4
323.05688	1.6
341.06631	100.0
342.06952	7.1
357.06094	2.9
451.10287	39.9
452.10657	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1031
Annotation	Laurentiquinone C
Peak:m/z	Relative Intensity
50.40005	0.3
53.36059	0.4
55.06304	0.3
65.00307	1.3
69.67283	0.5
69.67696	1.7
80.63139	0.3
81.03454	0.4
83.01369	1.9
89.80983	0.3
94.30512	0.3
109.02923	1.4
109.06612	0.4
110.00137	0.5
111.00865	1.5
124.01651	0.9
135.00845	0.4
136.98802	1.8
137.02406	0.7
139.00354	1.4
141.01981	0.4
153.01927	15.3
154.02271	0.4
165.99055	0.7
181.01418	12.5
182.02194	9.1
225.05608	0.7
226.06310	1.4
254.05817	81.0
255.06186	4.5
268.07431	0.5
269.08167	35.1
270.08423	2.3
277.62970	0.4
278.05765	0.6
279.06577	0.8
291.06509	1.6
292.07330	0.5
294.05106	0.4
303.06714	0.5
307.06152	0.5
321.07745	0.5
330.04803	0.5
331.05765	0.4
333.07495	0.5
344.06754	0.4
345.07748	0.4
373.07068	0.5
375.05170	2.7
376.05841	2.1
389.06638	1.2
390.07263	0.4
401.06635	2.5
402.07159	0.7
418.06940	0.6
419.07700	1.2
423.09604	0.5
431.23099	0.3
436.08038	5.3
451.10287	100.0
452.10648	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	449.2753
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
50.33867	0.3
55.01877	0.8
57.03446	0.6
58.00589	0.6
58.04551	0.3
58.91395	0.3
59.01377	9.0
61.98828	3.2
69.03465	0.4
71.01009	0.6
71.01382	8.2
72.01715	0.3
72.99300	1.1
73.02943	2.1
78.95906	0.9
83.01390	2.0
85.02950	4.0
86.00099	0.5
87.00879	0.8
89.02440	2.2
93.03463	0.4
95.01381	1.1
96.61859	0.3
97.02956	0.4
99.00916	1.6
99.08143	0.6
101.02433	5.4
104.84628	0.3
111.00867	1.0
113.02444	2.3
119.03427	0.3
125.02457	0.7
129.01967	0.3
129.09209	0.4
136.71339	0.3
140.01163	0.6
141.01941	0.6
141.12839	0.6
145.02936	0.4
153.01996	0.3
160.00638	0.3
167.03398	0.3
182.02063	0.3
183.03003	0.4
185.73669	0.3
207.55403	0.3
211.13387	0.8
212.13869	0.7
213.14082	0.5
237.32718	0.4
241.21634	0.4
245.08063	0.5
255.02963	0.5
256.03333	0.4
257.03458	0.5
269.21173	2.2
271.02435	0.4
272.02673	0.5
273.02933	0.6
285.20758	0.5
287.22269	28.4
288.22641	1.5
300.02780	0.8
301.03162	1.1
302.03354	1.8
303.04013	1.3
303.07285	0.8
327.07343	0.5
431.26599	2.4
449.10663	2.6
449.27533	100.0
450.27884	9.9
450.32639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2883
Annotation	Chaksine
Peak:m/z	Relative Intensity
59.01392	1.7
61.32426	0.2
61.98811	0.7
66.67154	0.3
71.52386	0.5
78.95918	2.0
91.74002	0.2
105.95982	0.2
129.38232	0.3
135.02980	0.3
177.12834	0.5
183.13893	17.0
184.14268	0.7
195.13896	16.0
196.14183	0.5
203.10623	0.3
208.23563	0.2
213.14951	100.0
214.15294	4.8
223.13083	1.6
233.11699	0.3
235.13075	1.9
237.10995	1.3
257.03534	0.4
267.12070	1.6
279.12131	2.2
301.03192	0.5
302.03412	0.7
303.03998	0.5
319.04700	0.3
431.27292	0.3
449.09897	0.9
449.28790	31.0
450.29117	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82212	0.2
57.03464	0.6
58.22756	0.2
59.01372	3.0
61.98827	100.0
71.01370	1.3
71.52764	0.3
72.06860	0.2
72.99347	0.3
73.02950	0.2
83.01389	0.5
85.02975	0.3
87.00882	0.5
89.02425	0.4
93.03483	0.4
94.42926	0.3
97.02972	0.3
101.02436	0.3
106.93250	0.2
109.02947	2.4
113.02522	0.4
115.00385	1.7
117.01967	0.3
121.02954	0.3
122.03658	0.3
123.04533	1.0
125.02442	2.8
133.02956	4.8
135.04509	2.6
137.02438	5.1
137.03528	0.3
139.00308	0.3
145.02985	1.0
147.04550	0.7
149.02463	0.8
151.04013	0.8
157.01411	0.3
159.04509	0.6
161.02431	18.3
162.03198	0.3
165.01921	0.4
175.02486	4.5
175.03964	0.4
177.01851	0.3
179.03473	3.2
187.03978	0.3
190.02725	1.0
201.09221	0.8
203.03485	1.0
203.07195	0.6
205.05005	0.3
206.84782	0.2
215.03569	0.3
216.04262	0.7
223.13533	0.3
225.14995	0.2
229.05113	1.0
244.07481	0.8
245.08144	5.7
269.08176	1.5
289.07156	4.9
302.03467	0.3
307.15601	0.5
340.61099	0.3
341.06573	0.7
351.20340	1.0
353.08914	0.5
387.16388	0.5
387.24020	1.0
404.94031	0.2
407.13354	0.8
450.10474	0.6
451.10257	1.3
451.15775	6.8
465.12054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37718	0.7
59.01372	4.8
61.98829	100.0
63.99237	1.0
69.22875	5.1
69.23304	2.9
71.01384	6.5
73.02916	1.0
73.83531	0.8
83.01377	1.6
85.02945	1.6
87.00870	7.1
89.02435	1.1
99.00919	1.0
107.19918	0.9
111.00870	1.5
115.00380	18.9
124.41656	0.7
139.00363	3.3
145.02972	2.7
146.64018	0.8
157.01390	6.0
165.74704	0.8
167.62842	0.9
175.02472	54.4
176.02785	1.5
185.08818	0.7
202.88831	0.7
211.13361	1.9
212.13681	1.3
225.14888	1.5
241.14458	1.7
261.14813	1.4
269.13956	2.4
287.15027	3.1
288.02664	1.5
307.15445	5.2
327.14471	3.3
351.14148	1.1
387.16544	4.0
387.23962	2.2
450.10031	1.2
450.27719	1.0
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
59.01376	3.1
60.01714	0.6
61.98827	100.0
71.01402	0.8
73.90806	0.3
88.98864	0.4
95.01486	0.3
97.73784	0.3
103.66129	0.3
113.02494	0.3
125.02462	1.5
126.02790	0.5
140.77838	0.3
161.02448	1.0
162.02777	0.6
181.56644	0.3
204.31021	0.3
227.12924	0.5
228.13293	0.7
231.75293	0.3
271.10977	0.4
274.23584	0.3
289.07239	0.4
294.18246	0.4
300.02454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	10.9
61.98817	8.0
65.00324	23.4
67.01875	2.4
69.03825	1.9
71.52448	4.3
78.95901	47.1
82.78996	1.9
83.01383	15.0
87.00857	4.7
96.93561	2.4
107.01404	2.4
111.43114	2.2
124.01658	67.9
152.01137	32.9
152.99606	14.0
156.00636	37.4
173.12881	2.3
221.28828	2.0
254.05809	4.7
269.08102	5.4
278.05750	6.1
291.06656	2.2
293.04669	2.9
294.05182	2.8
298.31488	2.1
300.42279	2.1
302.03305	2.3
344.06778	7.1
359.09247	11.5
418.06833	3.2
421.09314	43.5
422.09326	3.8
449.08740	100.0
449.18600	5.1
449.23544	4.7
450.09082	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1968
Annotation	Flemiphilippinin B
Peak:m/z	Relative Intensity
59.01366	1.6
61.76608	0.4
61.98814	1.6
78.95901	7.4
89.34338	0.5
98.19875	1.1
106.20438	0.4
124.01638	0.8
152.99631	0.6
176.16882	0.5
191.46655	0.5
203.65302	0.4
236.94910	0.5
244.86023	0.5
254.05809	4.3
271.62769	0.4
277.08694	1.3
279.06656	3.9
291.06607	100.0
292.07001	7.8
305.08093	2.1
319.09427	0.5
431.18558	2.9
433.16214	0.6
447.18036	1.0
449.19632	75.5
450.19974	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98824	4.4
65.00307	1.1
69.97936	0.7
69.98339	1.1
78.95898	67.5
83.01413	0.5
96.96957	6.7
117.34516	0.4
124.01630	2.6
150.97960	1.3
152.01170	1.1
152.99574	100.0
153.99915	0.9
156.00658	1.6
158.92471	1.1
171.00642	3.8
195.13937	0.6
254.05806	0.5
295.22891	1.1
300.02829	0.6
302.03619	0.6
421.09076	2.2
449.09125	4.4
449.23163	16.4
450.09415	0.5
450.23389	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	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52041	0.1
59.01374	0.9
61.98825	0.6
65.51440	0.1
69.77665	0.7
92.86168	0.1
121.02962	0.4
149.42871	0.1
159.04507	0.4
183.61647	0.1
187.03995	0.3
188.04744	0.2
202.06287	1.5
213.14941	0.2
215.03482	13.1
216.03764	0.6
227.07153	0.3
230.05820	55.1
231.06145	2.4
245.08167	100.0
246.08514	5.6
301.03433	0.2
303.04224	0.2
389.12405	2.6
390.12399	0.2
449.09781	0.1
449.14664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01359	2.4
59.16923	0.7
61.98813	1.7
62.96411	22.5
71.21335	1.6
71.42321	0.7
78.95901	73.3
80.97468	34.0
83.01373	1.5
88.99483	0.7
103.54825	0.7
149.00098	14.3
152.99553	1.0
161.02403	1.3
179.01097	1.8
183.03006	0.6
203.92961	0.6
205.15970	7.2
242.98183	5.3
285.12500	2.1
293.04553	1.1
301.03043	1.0
302.03394	1.7
303.03696	1.0
309.03949	3.1
318.64117	0.8
349.07278	1.2
355.16763	18.4
356.17050	1.4
385.17847	24.4
386.18011	1.5
449.14899	100.0
450.15222	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	449.1088
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
55.13587	0.4
56.02283	0.4
56.60231	0.4
59.01377	6.8
61.96858	0.3
61.98826	17.5
65.00322	7.4
71.01389	1.2
74.02475	0.8
81.03463	0.5
83.01376	4.2
85.02943	0.8
88.98801	0.5
89.02434	0.6
93.03451	0.5
99.05631	0.7
101.02422	0.5
105.03461	0.9
107.01388	15.3
107.05051	0.7
109.02944	3.0
113.02400	0.6
121.02969	0.7
123.04496	0.6
125.02444	4.4
128.03532	1.6
131.01396	1.4
133.02939	0.6
134.03778	1.1
135.04517	69.5
136.04817	1.8
137.02408	0.9
137.61552	0.4
143.04633	1.9
148.64973	0.4
149.02432	2.7
151.00359	86.4
151.99597	0.4
152.00629	2.2
161.02432	1.8
161.04541	0.7
165.01921	1.2
167.03500	1.5
169.01447	0.6
174.18721	0.4
175.00334	6.2
177.01892	0.7
177.09390	0.4
193.01414	1.6
205.01491	0.7
210.08775	0.4
249.53781	0.4
254.07724	0.8
266.54895	0.4
269.04431	0.5
272.08887	1.3
285.03860	1.2
286.04138	1.7
287.05591	100.0
288.05945	6.3
311.05652	0.6
313.05554	0.8
316.02377	0.5
329.06808	0.6
363.23694	0.6
449.10760	5.5
449.20013	0.9
450.19135	1.7
451.28366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05772	0.4
57.03462	0.7
59.01380	4.6
61.98830	15.6
65.00313	1.5
69.03426	0.8
69.17595	2.3
69.18024	2.3
71.01381	2.6
75.63604	0.4
78.95901	1.1
81.03442	1.2
83.01388	2.9
85.02953	1.6
89.02438	1.3
93.03465	1.9
95.01402	0.5
97.02944	0.8
99.00861	0.8
101.02441	0.9
109.02948	3.1
111.00866	2.4
111.35298	0.5
113.02436	1.5
118.06687	0.6
121.02951	21.1
124.07674	2.9
124.99663	0.4
125.02444	0.9
135.00890	1.2
136.98816	2.5
137.02437	5.2
139.00345	1.9
139.03973	0.8
141.02016	2.9
151.00394	0.5
153.01929	36.3
154.02301	0.7
155.03569	0.7
165.01939	5.3
165.99126	0.9
166.02679	1.7
167.03490	1.1
174.22362	0.5
177.01895	0.7
178.05092	0.6
179.03539	0.6
181.01418	56.3
182.02200	33.9
182.03490	0.6
183.02975	34.0
184.03328	1.2
191.05566	2.0
193.01421	0.6
195.03073	0.6
207.02986	3.6
211.13358	2.4
212.13733	1.7
213.13956	1.7
225.03957	0.9
249.04024	1.1
256.03354	0.5
271.02515	0.9
273.03043	1.6
287.14020	9.1
287.17258	0.6
287.22333	2.8
288.14325	0.9
300.02808	1.1
301.03253	1.2
302.03345	2.7
303.04050	1.2
309.06085	0.8
310.06540	0.6
327.07190	100.0
328.07547	4.7
329.14923	1.6
405.19391	0.5
449.10504	9.7
449.27777	7.9
450.10904	0.9
450.28021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
59.01380	8.0
61.98824	5.0
63.02403	1.1
65.00320	3.3
68.80596	1.2
71.01369	2.1
72.99273	1.2
76.75954	0.9
81.03451	4.7
83.01385	6.2
85.02960	1.4
93.03457	4.5
97.02933	1.5
98.20672	2.8
103.46758	1.0
107.01411	6.7
109.02941	2.3
111.00867	1.3
121.02937	1.6
123.04517	1.5
124.01643	2.5
125.02441	54.4
133.02939	3.5
135.04503	1.2
137.02455	1.9
139.04001	3.5
145.06488	1.3
149.02405	2.8
150.45958	1.0
151.00354	17.8
152.01138	3.7
153.01884	6.6
158.03761	1.2
161.02420	4.7
165.01994	1.9
167.03464	2.6
172.05284	3.7
173.06096	9.4
175.00282	2.0
175.04068	2.6
177.05537	3.2
178.97542	1.0
178.99857	16.2
181.01431	1.7
199.07533	2.9
200.04781	1.5
201.05518	3.8
215.07121	13.7
241.05060	2.5
243.06734	7.8
255.06662	1.1
259.06085	100.0
260.06461	6.7
269.04489	4.7
273.07776	1.4
283.06107	18.2
284.06470	1.4
287.05606	69.9
288.05862	3.6
301.07037	7.4
311.05582	1.6
313.07086	2.7
323.07605	2.3
421.11420	18.5
422.11691	1.4
449.10995	9.5
449.20248	3.8
450.10242	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.5
59.01371	3.6
59.15650	0.6
61.98829	41.0
62.98518	0.7
63.02384	0.9
65.00317	3.9
67.23151	0.6
69.81381	3.5
71.01388	1.5
75.99547	0.6
81.03469	3.1
83.01386	8.2
93.03461	2.4
97.02962	2.0
97.12945	0.6
107.01361	4.7
107.04989	1.2
109.02937	1.2
117.03481	2.3
121.02927	2.2
123.04548	1.4
124.01633	1.5
125.02441	100.0
126.02799	2.4
131.05031	0.9
133.02934	2.3
137.02429	1.0
139.03984	3.3
149.02435	9.7
151.00363	24.1
152.01149	5.1
153.01932	8.2
155.05026	0.7
155.76428	0.6
157.06563	1.1
159.04480	1.0
161.02455	1.3
163.00308	1.5
165.01900	1.8
167.03476	1.3
169.06602	0.9
172.05286	1.8
173.06096	4.9
174.59720	0.7
175.03976	1.1
176.01129	1.3
177.05582	2.8
178.99860	13.3
179.03459	4.4
181.06500	0.9
196.05179	0.9
197.06090	2.8
199.07640	1.5
201.05655	3.7
203.03481	1.0
215.07138	4.2
225.05624	3.6
241.04980	3.3
242.05638	0.8
243.06625	5.6
259.06091	76.2
260.06454	4.0
269.04529	67.2
269.07544	1.1
269.52158	0.7
270.04865	5.1
277.90427	0.8
283.06110	1.8
287.05600	56.1
288.05905	4.3
311.05609	1.3
342.05988	1.6
379.45041	0.6
421.11398	1.5
431.09982	1.4
449.10870	85.2
450.11261	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	449.0873
Annotation	Gaboroquinone A
Peak:m/z	Relative Intensity
54.43752	0.9
59.01379	3.8
61.98815	1.6
65.00321	21.0
67.01886	2.2
68.69086	0.7
69.76744	1.4
69.77158	3.3
73.10486	0.8
73.24438	0.8
78.95903	25.6
81.09540	0.8
83.01389	9.2
87.00866	4.8
107.01397	2.9
111.00899	0.9
124.01663	59.7
125.01990	1.3
141.39969	0.8
141.50992	0.8
152.01155	36.7
152.99583	8.6
153.01897	2.3
156.00655	30.8
157.00986	0.9
158.92479	1.1
161.02429	1.6
188.67336	0.8
203.38120	0.9
220.15871	0.8
254.05798	6.8
269.08286	4.2
278.05768	4.6
293.04602	2.7
293.07925	1.8
294.05252	3.5
302.05994	1.2
306.05133	1.9
309.07654	2.5
316.07187	1.7
317.07956	1.0
321.07620	1.2
326.31436	0.9
331.06110	2.0
332.03232	1.0
344.06766	6.2
359.09229	11.0
375.08545	2.0
421.09268	36.9
422.09723	4.3
431.07599	1.5
448.24231	1.3
449.08749	100.0
449.18732	2.5
450.09045	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.5
60.99303	14.0
63.97453	0.3
70.98602	0.7
71.01377	0.5
78.95900	0.4
88.98803	100.0
89.99134	0.6
96.96967	0.4
105.01936	3.7
106.02245	0.6
107.02374	0.7
115.00375	0.7
122.73238	0.3
127.56101	0.4
133.01411	1.8
135.04526	1.5
274.97696	0.4
288.37415	0.4
367.15591	0.4
387.93265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58987	0.4
56.35632	0.4
59.01365	1.4
60.99307	14.3
66.52612	0.3
71.01408	0.6
71.50187	0.5
72.99323	0.5
87.00853	0.4
88.98804	100.0
89.02432	0.6
89.99128	0.8
96.96029	0.8
96.96971	0.4
105.01935	5.1
106.02264	0.5
107.02377	1.1
111.56933	0.3
115.00350	0.8
116.92854	0.6
120.01302	0.5
133.01407	2.3
135.04532	1.4
153.01964	0.6
165.05542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.00717	0.5
59.01375	8.6
61.98829	18.6
65.00323	1.2
69.81179	2.3
71.01081	0.4
71.01393	3.2
73.02944	0.7
76.77698	0.5
81.03462	1.2
83.01389	5.0
85.02987	0.8
89.02444	1.8
93.03456	1.7
101.02459	2.1
107.01408	2.7
107.05013	0.7
109.02953	0.7
113.02419	1.1
113.23842	0.4
117.03471	1.4
119.03474	0.5
121.02940	0.8
123.04517	0.9
124.01672	0.5
125.02444	100.0
126.02784	2.6
132.02164	0.5
133.02957	10.7
134.03712	0.7
135.04489	4.6
137.02434	1.2
139.04007	0.9
145.02863	0.5
149.02440	3.7
151.00354	9.9
151.03880	0.5
152.01137	1.8
153.01913	3.8
161.02440	34.8
161.04594	1.0
161.06107	1.7
162.02759	1.3
163.00342	0.7
165.01932	1.1
169.06546	0.6
173.06046	2.0
175.04025	1.0
177.01944	0.8
177.05582	1.5
178.99866	7.0
179.03487	4.4
181.01523	0.5
193.01433	0.6
196.05208	0.7
197.06052	1.4
199.03897	0.7
201.05499	1.5
203.03482	0.9
215.07101	3.1
225.05482	2.3
229.05087	0.6
241.05101	1.6
243.06554	3.6
259.06091	34.5
260.06543	2.6
268.21375	0.5
269.04529	31.2
270.04932	2.4
283.06021	0.7
287.05594	26.0
287.08829	0.9
288.05948	2.0
305.87891	0.5
311.05634	1.1
323.07687	13.0
324.07947	1.0
387.16553	2.4
449.10870	41.8
449.19583	2.3
450.11340	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	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82346	0.4
59.01377	6.0
61.98826	40.1
62.98561	0.6
63.02421	0.4
65.00337	1.0
71.01395	1.4
73.02975	0.5
73.89600	0.4
74.17677	0.4
81.03545	0.4
83.01320	0.4
89.02466	1.3
101.02441	0.7
107.01388	1.1
109.03017	0.7
113.02455	0.8
119.03600	0.5
124.01685	1.7
125.02473	1.4
133.02991	0.6
135.00865	0.5
137.02457	1.5
142.85213	0.4
145.03052	0.4
148.01617	0.6
151.00340	5.1
151.82207	0.4
152.01149	1.8
155.80049	0.4
161.02481	1.4
163.00385	1.5
164.01115	2.4
167.03545	0.4
175.02560	0.8
177.01833	0.4
178.99866	5.2
199.03998	0.6
199.70267	0.5
203.03523	0.7
214.02678	4.9
215.03500	0.9
216.04457	0.4
227.03305	0.8
232.03773	0.5
242.02179	4.1
243.02966	3.0
259.02423	6.6
260.02963	0.4
269.04504	1.6
270.01672	7.3
271.02451	36.8
272.02725	2.6
287.01965	22.0
288.02597	2.7
299.01871	0.5
316.02203	100.0
317.02747	13.4
336.40646	0.4
349.29868	0.4
449.07147	65.6
450.07547	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08053	0.6
57.03452	1.0
59.01381	20.4
60.01716	1.2
61.98829	92.9
62.98533	1.2
63.02435	0.8
65.00333	1.5
68.99816	1.2
71.00512	1.2
71.01375	5.9
72.99287	0.5
73.02963	1.3
75.54527	0.5
83.01402	2.4
85.02954	2.6
89.02455	4.3
93.03445	0.8
93.73193	0.6
99.00913	0.8
99.04517	0.7
101.02438	3.6
107.01405	3.1
108.02222	1.3
113.02435	2.5
116.92828	0.8
118.38544	0.6
119.03496	2.1
123.00871	1.1
124.01669	0.9
125.02452	10.3
133.02940	1.0
135.04503	1.3
137.02440	1.6
141.02054	0.7
143.05026	0.8
145.02972	1.7
149.02460	1.4
151.00357	9.8
152.01112	2.5
153.01962	0.5
155.04932	0.7
159.04509	1.5
161.02449	5.7
161.04530	2.2
161.05975	1.3
163.00418	1.8
164.01140	11.9
165.01770	0.9
167.03487	3.0
169.01369	0.8
175.03987	1.3
178.99857	2.0
183.04480	1.6
187.00415	0.9
187.04036	0.8
189.01784	0.7
193.01361	0.9
198.03212	0.7
199.03947	3.6
201.01918	8.8
203.03522	6.4
215.03436	1.4
217.01402	0.9
219.02979	0.7
227.03484	7.0
227.12802	0.8
231.03001	6.6
242.02141	1.1
243.02975	6.3
244.03510	0.8
255.02974	3.9
259.05963	0.7
270.01584	0.9
271.02457	74.3
272.02850	3.1
281.06552	1.9
287.01904	3.8
287.05142	1.1
287.08682	0.5
298.01273	1.2
299.01947	100.0
300.02283	8.4
316.02203	16.2
317.02731	3.0
364.44791	0.6
388.20605	3.0
389.17340	0.7
389.20978	1.7
413.14429	1.0
417.10837	0.8
449.07108	19.9
450.07401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.2
57.98142	0.2
59.01378	7.5
60.01713	0.7
61.98828	100.0
62.98537	0.3
69.03491	0.2
71.01372	2.2
71.51927	0.3
73.02937	0.7
76.42223	0.2
83.01393	0.3
85.02953	0.6
87.00881	0.5
88.98814	1.1
89.02438	1.7
92.06693	0.2
99.00861	0.3
99.04507	0.4
101.02451	1.0
102.02773	0.3
107.01374	0.3
113.02457	0.7
115.00385	0.8
116.92858	0.7
117.92889	0.5
119.03469	0.5
123.00857	0.3
124.01694	0.3
125.02453	3.1
133.66409	0.2
135.04509	0.3
137.02371	0.4
151.00392	1.3
151.03931	0.3
152.01137	0.5
155.05142	0.2
161.02455	1.2
161.04543	0.8
161.06009	0.3
163.00398	0.5
164.01131	1.4
167.03456	1.1
175.02481	2.3
177.01932	0.5
178.53096	0.2
183.04483	0.4
199.03981	0.2
201.01955	1.0
201.05666	0.4
203.03587	0.8
227.03418	0.5
231.02974	0.5
239.70067	0.2
243.03021	0.7
255.02977	0.5
271.02454	8.7
281.06683	0.5
287.02072	0.9
287.05502	0.5
298.00983	0.4
299.01956	12.6
316.02148	2.2
317.03098	0.3
329.56894	0.2
388.16525	0.5
388.20822	1.3
449.06805	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01371	1.0
61.98828	100.0
71.85052	0.3
83.01394	0.8
87.88245	0.2
107.01393	0.5
125.02447	8.8
149.02464	0.9
151.00375	2.2
152.01164	0.4
153.01955	0.9
161.48470	0.3
173.06107	0.4
178.99875	1.7
179.03513	0.4
201.05748	0.2
214.25146	0.3
215.07161	0.5
225.05644	0.3
243.06688	0.4
259.06104	6.5
269.04553	6.3
269.07266	0.5
287.05582	6.0
316.02490	0.3
449.10919	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.2
59.01379	3.5
60.01712	0.5
61.01805	0.3
61.98827	100.0
62.98526	0.2
69.20335	0.9
69.20767	0.9
71.01373	0.6
74.02477	0.4
85.35651	0.2
89.02450	0.5
90.02740	0.2
97.01166	0.3
98.01540	0.2
99.00762	1.0
99.05650	0.4
101.02434	0.4
109.02981	0.2
119.03526	0.2
125.02442	1.7
128.03555	1.5
135.04515	0.2
141.00172	0.9
142.00504	0.4
142.99712	2.4
143.00652	0.4
143.04614	2.0
144.05008	0.3
146.04597	0.4
161.02460	0.6
172.06158	0.5
173.02754	1.8
174.03130	1.2
175.02223	3.9
177.01935	0.3
181.06119	0.3
210.08777	0.4
254.07826	0.8
256.08374	0.3
269.04617	0.4
272.08844	1.4
274.09378	0.5
287.05673	0.3
316.11481	0.2
338.85431	0.2
350.10202	0.8
388.20609	0.3
449.10880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62596	0.3
59.01379	13.9
60.01719	1.8
61.98829	100.0
69.33158	2.3
71.01389	1.8
73.02953	0.4
80.79191	0.3
85.02943	0.7
89.02448	1.1
90.02798	0.4
101.02461	1.1
105.03481	0.6
109.02985	0.3
109.39862	0.3
113.02450	1.0
117.03465	0.9
119.04971	0.3
123.04585	0.5
125.02462	0.3
133.02933	0.5
135.04543	0.8
145.02956	2.4
146.03267	1.7
149.02429	2.3
150.03297	0.3
151.00348	1.4
161.02449	1.2
161.04588	1.1
162.02780	0.6
162.04803	0.4
167.03517	1.2
193.01466	0.3
285.03885	1.4
286.04483	0.8
287.05545	1.8
301.03195	0.4
308.08585	1.2
324.08136	0.7
363.23965	0.9
388.20859	1.3
397.24478	0.5
401.23178	0.3
404.23508	0.3
405.25061	0.8
431.55423	0.3
448.09897	1.4
448.22769	2.0
449.10513	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98830	100.0
62.85420	0.4
64.60727	0.4
71.01360	0.6
71.52033	0.7
89.02420	0.8
151.00371	0.5
180.37117	0.6
181.75879	0.6
214.02644	0.7
228.03780	0.4
242.02325	0.7
243.02858	0.7
249.20505	0.5
255.03070	0.6
256.03442	1.2
259.02478	0.7
270.01813	0.5
271.02597	3.7
272.02963	1.8
276.31979	0.5
287.02063	1.9
301.03305	1.6
302.03839	0.6
316.02225	9.8
317.03040	0.6
323.61316	0.5
377.21729	0.5
447.66092	0.7
448.09653	4.1
449.07104	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
59.01370	1.4
61.98828	100.0
66.04816	0.2
69.51344	1.5
71.01385	0.4
78.32584	0.2
83.03835	0.2
85.02935	0.3
87.00812	0.2
89.02451	0.6
101.02453	0.2
112.14684	0.2
113.02466	0.2
115.89958	0.3
119.03506	0.2
119.05008	0.2
125.02489	0.3
128.03549	0.2
143.04588	0.3
151.00415	0.4
161.02466	0.3
165.09402	0.3
201.05417	0.2
213.00063	0.2
243.06793	0.7
269.04703	0.6
271.02667	0.6
271.06058	0.4
287.05515	1.2
316.02325	0.8
316.05859	0.2
317.03000	0.3
388.20621	0.6
448.10077	0.3
448.17563	0.3
449.07477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03443	0.3
58.00595	0.2
59.01376	5.6
61.03327	0.2
61.98825	2.9
63.23194	0.1
65.00323	0.4
66.86916	0.1
68.42173	0.1
69.03460	0.3
69.17780	1.5
71.01376	4.5
73.02943	1.2
74.02489	0.2
83.01381	0.9
85.02939	1.8
87.00878	0.5
89.02443	3.3
92.25638	0.1
93.03466	0.2
95.01370	0.4
97.02966	0.3
98.20664	0.3
99.00870	0.5
99.75152	0.2
101.02441	4.4
107.01403	0.8
108.02179	0.2
109.02953	0.9
113.02447	1.9
115.03979	0.2
119.03488	1.0
121.02962	0.6
124.01653	0.2
125.02435	0.4
128.03508	0.3
131.03540	0.3
133.02888	0.2
135.00833	0.2
143.03557	0.2
143.04617	0.6
148.01697	0.5
149.02438	0.2
149.04541	0.1
151.00372	3.3
159.02945	0.3
159.04437	0.2
161.02472	0.3
161.04544	1.9
163.00375	0.8
165.02083	0.2
165.12897	0.3
167.10780	0.3
167.14380	0.7
169.95389	0.2
178.99835	1.7
179.05640	0.3
183.04482	0.2
183.13889	6.1
184.14189	0.3
187.03992	0.2
193.12314	1.6
194.12708	0.2
197.75703	0.2
199.03967	0.2
201.05557	0.3
205.05092	0.2
211.13379	100.0
212.13718	4.4
213.01782	0.2
216.04233	0.2
226.02704	0.3
227.03461	0.8
229.05061	0.2
233.04561	0.4
235.08186	0.5
235.10172	0.2
240.77812	0.2
243.03003	2.2
244.03287	0.2
245.04546	0.5
253.09276	12.0
254.02170	0.4
254.09566	0.4
255.02982	5.8
256.03427	0.5
262.08466	0.5
263.09235	0.4
271.02457	10.5
272.02881	0.8
273.04102	0.3
283.02545	0.6
284.03159	0.5
285.04001	0.3
290.78873	0.2
299.01904	0.2
300.02737	17.6
301.03485	14.5
302.03876	0.9
302.19162	0.2
303.05127	0.1
306.07742	0.3
315.18030	0.9
363.36041	0.2
374.40576	0.1
387.14362	0.2
425.14569	1.2
447.09293	15.5
447.22037	4.2
448.09677	1.7
448.22556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.5
59.01379	100.0
60.01704	0.8
61.98811	2.0
65.36619	0.4
69.30722	0.5
71.01382	8.7
71.52383	0.6
73.02937	2.6
83.01399	1.1
85.02951	3.8
87.00880	0.5
89.02435	3.7
99.00888	1.2
101.02438	6.6
113.02431	4.8
113.56238	0.4
119.03469	2.3
125.02444	0.5
131.03401	0.4
143.03505	0.9
159.03027	1.0
161.02501	0.9
161.04539	9.6
179.05682	0.5
203.03578	1.4
211.13518	1.7
233.58478	0.4
271.02579	1.1
300.02676	1.2
301.03485	0.7
387.20236	16.9
388.20773	1.7
431.19385	0.8
447.09439	1.9
447.22336	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	447.2385
Annotation	Ugaferin
Peak:m/z	Relative Intensity
53.64310	0.4
57.08296	0.4
59.01365	3.0
61.98821	1.3
71.09106	0.7
78.76494	0.4
78.95897	2.5
83.01373	0.6
91.12507	0.4
93.03428	0.6
96.77822	0.4
98.53547	0.4
99.78822	0.4
102.93949	0.4
107.01382	1.6
108.02116	0.5
109.02989	0.7
117.03446	1.2
121.02937	1.1
132.02122	0.7
133.01921	0.7
133.02956	21.7
134.03766	4.7
135.04521	30.9
137.02435	2.6
139.03957	0.6
150.03226	0.7
151.00366	3.0
152.99577	3.3
155.14339	0.6
161.02429	100.0
161.39529	0.4
162.02785	3.7
163.00334	1.1
178.02676	0.7
178.06583	0.4
178.99977	2.2
179.03481	10.9
211.13354	1.6
222.67233	0.5
227.03421	0.7
243.02975	2.0
245.04372	0.7
255.02933	5.6
267.19672	0.8
271.02444	10.1
272.02972	0.9
279.40378	0.5
284.03369	0.6
285.20679	10.3
300.02719	17.2
301.03494	15.6
302.03952	0.8
401.37943	0.5
429.22644	3.3
447.09497	15.7
447.23843	66.6
448.09555	1.8
448.24173	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	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98273	0.2
61.76508	0.2
62.96416	1.3
69.83677	0.5
69.84077	0.6
70.81937	0.2
70.92797	0.2
77.28710	0.2
78.95902	38.2
93.56684	0.2
96.96954	2.2
98.19961	0.3
109.34863	0.2
149.00090	17.1
150.00400	0.3
151.00337	0.3
158.92542	1.8
178.99799	0.3
179.01157	2.1
205.15981	1.6
267.11472	0.6
271.02530	0.5
298.01129	0.2
300.02792	1.5
301.03482	1.1
347.08188	0.5
363.07169	0.2
397.41174	0.2
417.12555	1.0
431.10281	2.5
432.10870	0.3
437.29922	0.2
447.13416	100.0
448.07635	0.4
448.13779	7.2
464.10101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
59.89598	0.2
62.67094	0.3
71.50003	0.7
72.99308	5.3
75.00864	2.3
75.81957	0.3
76.01836	0.3
87.00886	0.4
99.21029	0.3
104.03527	0.8
105.01933	100.0
106.02274	1.3
135.04564	0.4
179.03461	0.4
211.54240	0.3
218.49324	0.3
358.98758	0.3
366.70996	0.3
470.83884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13652	0.1
59.01380	2.0
63.33401	0.1
63.46240	0.1
71.50687	0.2
72.00873	0.1
72.99303	5.1
74.04066	0.1
75.00867	2.5
104.03542	0.6
105.01929	100.0
106.02264	1.3
115.86676	0.2
118.28511	0.1
134.18420	0.2
147.42159	0.1
233.38109	0.1
304.98697	0.2
342.11249	0.2
393.04492	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01377	100.0
60.01717	0.7
61.01806	0.4
61.98830	6.8
69.43221	2.7
70.94974	0.4
71.01377	6.4
73.02945	0.9
73.45999	0.4
84.00391	0.4
85.02950	1.3
87.00907	0.5
89.02442	7.1
93.79121	0.3
95.01388	0.5
101.02433	4.8
102.02972	0.4
103.53137	0.4
113.02425	3.2
113.03091	0.4
116.92873	0.4
119.03489	3.5
131.03505	0.4
143.03519	1.1
161.04544	4.9
179.05606	2.0
189.12776	1.9
207.13931	1.0
243.20123	0.4
269.00912	0.9
285.03998	0.4
285.42508	0.4
297.00513	0.9
327.05112	1.7
357.06161	1.0
387.16287	0.5
387.20352	6.6
387.24915	0.5
447.09506	1.0
447.22504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	1.1
65.00317	1.3
69.76752	1.7
75.62701	0.4
83.01391	1.5
91.91714	0.4
106.38806	0.5
107.01402	4.4
108.02166	1.6
109.02963	3.3
121.02965	4.2
125.02390	0.6
130.32692	0.4
132.57076	0.5
135.00903	1.5
139.03967	0.5
148.01669	1.3
149.02454	0.9
151.00359	19.2
159.04555	0.6
163.00386	5.2
163.03905	0.5
164.01099	0.9
167.05061	0.7
169.01469	0.4
178.99847	10.2
180.00256	0.7
183.04474	0.9
185.51610	0.4
187.03923	0.9
198.03351	0.5
199.04047	0.9
201.05562	0.9
211.03958	1.9
215.03458	0.9
216.04176	0.7
226.02640	1.3
227.03467	4.3
228.04059	0.7
229.05000	1.5
239.03314	0.6
243.02962	10.9
244.03398	1.3
245.04376	2.5
254.02182	1.9
255.02977	29.5
256.03287	2.4
271.02460	55.0
272.02875	5.9
273.03909	2.3
283.02377	3.2
299.01932	1.7
300.02728	100.0
301.03467	88.5
302.03873	5.9
343.04428	0.7
447.09290	90.0
448.09619	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98807	1.0
63.02388	1.1
65.00323	1.4
69.34879	5.6
69.35212	1.3
75.02197	0.8
98.20647	1.3
107.01378	4.3
108.02168	1.7
109.02955	2.9
119.01382	0.9
119.05030	0.8
121.02916	3.8
131.80739	0.9
133.02928	0.7
135.00856	1.1
148.01700	1.8
151.00357	14.9
159.04541	0.9
160.63374	0.7
161.02428	2.3
163.00354	3.0
163.03964	0.7
173.81007	0.7
178.99879	6.9
183.04512	0.9
187.04021	1.9
199.04021	1.3
211.04007	2.4
211.13365	2.0
215.03371	0.7
226.02786	1.5
227.03500	25.2
228.03925	1.3
229.05014	3.4
243.02963	8.5
245.04503	1.9
254.02249	1.1
255.02972	48.9
256.03528	5.2
257.04581	1.0
271.02463	41.1
272.02972	2.1
273.03952	1.4
283.02536	2.4
284.03250	26.4
285.04016	36.4
286.04272	2.0
300.02728	69.6
301.03476	60.6
302.03845	3.8
323.07544	1.6
429.08218	14.5
430.08588	0.9
447.09271	100.0
448.09610	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06110	0.8
54.55780	1.0
57.03449	10.3
62.46277	0.9
63.02405	1.2
65.00329	2.8
66.35555	0.8
69.30989	4.2
69.31413	4.0
83.01389	5.3
96.36540	0.9
98.19859	1.6
107.01380	3.4
108.02197	0.9
109.02959	2.2
121.02942	1.9
123.04527	4.5
124.01628	1.3
125.02441	100.0
126.02753	2.6
137.02470	2.3
139.04037	1.3
147.04515	1.6
149.02437	4.2
150.03210	3.8
151.00348	12.2
151.04033	6.0
152.01173	6.7
153.01956	11.6
160.58783	1.0
161.02472	2.5
161.05969	0.8
171.04585	1.1
174.03212	4.2
175.03989	17.3
176.04309	1.3
177.01915	23.5
178.99860	12.4
180.00508	1.2
181.01411	2.9
188.04842	1.7
189.05540	4.9
193.05046	1.2
199.03990	10.0
201.01920	1.9
213.05510	2.2
216.04214	1.3
217.05037	9.9
231.06615	0.9
234.53540	0.9
236.94551	1.0
241.05084	8.0
243.03003	3.5
255.03021	2.2
257.04474	2.0
259.06137	3.6
271.02472	2.8
275.05627	5.1
285.04031	75.9
286.04376	5.3
300.02725	5.6
301.03592	4.7
303.05081	68.3
304.05356	4.6
447.09421	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04153	0.6
66.58520	0.6
69.31084	3.7
69.31504	1.6
70.98658	0.6
83.01400	0.6
89.82999	0.6
92.76453	0.6
151.00360	2.5
153.01944	0.9
169.01373	0.9
183.04547	1.0
211.04044	1.3
227.03476	50.6
228.03857	2.7
229.05057	2.0
230.14857	0.6
239.03297	0.8
241.05130	0.8
255.02959	73.2
256.03592	10.5
257.04395	1.8
284.03244	70.8
285.03940	20.5
286.04285	1.1
301.03113	0.9
304.56247	0.6
327.04956	1.7
423.56311	0.6
447.09286	100.0
448.09558	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	447.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24705	0.2
59.01378	2.5
68.04153	0.2
71.01381	0.4
73.02943	4.7
88.04102	0.2
88.23702	0.2
99.00884	1.1
99.92575	7.2
100.92635	0.2
116.92855	100.0
117.01933	12.3
117.92847	4.2
123.04512	0.9
135.04550	0.2
153.22008	0.2
167.03482	3.4
168.03851	0.3
245.19565	0.2
300.02805	0.4
305.57254	0.3
329.08881	0.5
350.10074	0.2
448.10065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	12.6
60.10366	2.6
61.98824	4.0
69.16656	8.4
69.17078	19.3
71.01385	3.4
72.99304	3.4
75.00849	11.0
79.63226	2.6
83.01369	6.0
88.98817	6.9
89.02449	5.0
97.03021	2.9
105.01892	10.5
109.02937	4.2
123.04477	3.5
125.02393	9.5
135.03014	28.3
135.04483	9.9
137.02422	6.4
149.02449	8.6
151.03989	4.8
153.01892	4.9
153.05544	5.8
161.02432	3.7
165.01883	23.6
167.03429	8.3
177.01956	6.4
179.03470	11.1
186.23962	2.6
193.01408	11.6
195.02907	3.8
197.62521	2.5
201.23090	2.5
209.00909	7.9
211.02470	4.3
215.07184	6.2
221.00890	100.0
222.01224	8.1
223.02602	3.3
237.00333	2.8
239.01865	3.7
258.49918	2.7
267.01480	6.4
273.03976	2.9
301.03961	3.6
301.07080	16.8
341.08856	3.7
357.04703	14.9
368.91226	5.1
387.09378	3.1
447.10382	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29541	0.1
57.03446	0.2
57.76292	0.2
59.01377	6.6
61.98829	0.3
63.02392	0.4
65.00348	0.2
71.52041	0.3
73.02967	0.2
75.92136	0.2
81.03493	0.2
83.01393	0.6
85.02951	0.4
89.02431	1.3
92.10162	0.2
93.03471	0.4
95.01339	0.2
96.49002	0.2
97.02909	0.2
99.00893	0.2
101.02445	0.7
107.01406	1.2
108.02158	1.3
109.02953	2.7
113.02448	0.7
117.03464	0.7
119.03507	0.5
119.05062	0.2
121.02989	0.3
123.00909	0.3
123.04543	0.3
124.01682	0.2
125.02436	0.8
131.92152	0.2
132.02248	0.3
133.02960	1.5
135.00887	0.5
135.04485	1.0
137.02454	0.3
139.04007	0.3
143.04996	0.2
145.02942	2.4
149.99622	0.3
151.00360	3.3
152.01146	0.9
153.01936	4.3
157.03096	0.2
159.04446	0.3
161.02429	4.2
161.04605	0.6
163.00368	0.5
163.04028	0.3
164.01125	0.2
168.00616	0.6
169.01498	0.9
169.06639	0.3
171.04550	0.2
174.03230	0.2
175.03993	0.4
177.98660	0.2
178.99864	0.5
179.03404	0.6
179.05585	0.7
182.02243	0.2
182.03702	0.3
183.04568	0.9
185.06078	0.7
187.04004	0.5
189.05562	0.2
197.05995	0.2
200.04663	0.2
203.03587	0.3
211.03995	1.5
211.13362	0.3
212.04643	0.2
213.05505	0.4
227.03481	64.4
228.03847	3.9
229.05028	1.7
231.54283	0.2
239.03468	0.7
241.05034	0.3
243.03061	0.3
255.02971	80.2
256.03598	10.1
257.04501	1.5
269.04541	0.3
283.02426	0.4
284.03241	67.9
285.03937	21.0
286.04379	0.8
299.05588	0.3
301.05698	1.4
307.08261	0.6
323.07776	0.3
327.05106	1.0
361.22205	0.3
387.20135	0.5
403.23428	0.2
447.09262	100.0
448.09589	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	446.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48820	0.6
56.98028	0.8
58.02972	3.0
59.01378	20.3
71.01377	2.0
71.51920	1.0
72.99322	0.7
73.02936	0.6
74.02468	6.2
80.20483	0.6
81.03445	2.3
81.03876	0.7
82.02938	0.8
83.01373	2.6
84.97519	1.2
85.02930	0.9
86.02480	2.9
86.99081	0.5
87.05639	1.9
88.98804	5.5
89.02427	3.3
89.99091	0.8
92.81052	0.6
96.00393	1.2
96.95965	1.1
96.96981	0.5
97.00544	1.1
97.01174	22.9
99.00914	0.5
99.05647	5.0
100.00380	1.2
101.02436	1.8
101.07204	0.8
102.05573	0.7
105.39557	0.6
111.05636	0.9
112.04085	0.8
113.00657	1.0
114.01406	0.7
114.02755	0.6
117.00140	2.1
119.03535	1.5
123.03275	1.7
124.01659	1.4
125.02443	0.7
127.05144	1.0
128.02599	1.1
128.03542	19.8
135.05661	1.6
138.05612	23.0
139.03989	1.7
141.00165	56.2
142.00513	1.4
143.04623	26.1
145.06123	1.0
146.04594	2.6
150.05498	0.8
153.06654	0.7
165.05489	0.7
166.09837	1.0
167.04639	0.8
167.08328	0.7
170.08160	1.0
173.02771	100.0
174.03098	3.2
179.04419	3.5
179.05919	0.7
181.06129	0.9
185.05751	1.4
197.05652	0.7
210.08852	6.1
217.29607	0.7
228.09898	0.7
237.09236	0.8
247.04916	0.7
254.07794	12.5
255.08199	0.8
263.07211	0.6
271.09305	1.0
272.08878	31.7
273.09241	1.7
298.11029	1.0
306.07791	0.8
369.21167	0.6
446.11429	2.9
446.16928	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81171	4.0
59.01365	10.7
61.98830	80.0
65.89973	3.8
71.51257	6.9
77.50996	4.0
78.20165	3.7
92.50432	4.4
145.56721	4.7
151.00339	6.7
211.04221	5.8
238.06262	5.3
243.02930	5.5
255.02916	10.4
265.10330	5.1
271.02466	18.8
281.04453	13.2
282.05325	26.2
291.06830	5.3
294.05429	25.1
300.02686	32.0
301.03616	28.6
351.12350	100.0
352.12634	11.8
383.15030	29.7
447.09317	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	446.179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15639	0.8
56.87461	0.9
58.04084	3.0
59.01385	6.2
61.98835	1.6
66.91527	0.9
67.03004	2.2
69.15138	5.6
69.15561	3.4
71.01382	1.4
72.99294	0.9
81.02216	1.2
81.04578	2.3
83.02512	8.3
85.02955	1.7
88.98779	1.6
89.02451	1.5
92.05055	15.6
98.20731	1.8
102.05575	4.7
109.02921	2.5
109.04066	10.2
112.77470	0.8
120.04549	2.3
121.02952	1.1
124.05133	1.5
125.02474	1.6
126.06733	34.2
127.07075	0.9
128.03545	25.1
135.05669	5.4
136.04034	3.4
138.06721	1.8
146.04623	6.5
147.05649	10.2
148.04042	18.9
153.01964	2.7
161.02463	1.6
162.02771	1.1
162.09306	1.1
163.06247	1.8
163.07623	1.3
167.01782	1.0
167.08487	1.0
173.07140	1.8
175.08682	1.1
177.10255	5.9
187.08707	1.8
189.10313	10.9
197.02754	3.3
215.08177	2.6
221.09274	4.1
231.12497	1.7
233.09308	15.6
275.11484	36.1
276.11502	2.1
300.02573	1.9
300.11017	4.0
301.03357	1.3
317.13651	10.9
342.15488	1.1
343.14041	1.3
359.07904	2.0
360.16791	18.5
386.14661	3.9
387.04208	1.8
387.13153	1.1
402.18887	1.1
404.15698	91.5
405.16083	7.6
428.16934	2.7
429.15186	10.6
430.15475	1.5
446.17896	100.0
447.09967	3.5
447.18155	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03453	1.6
58.00589	0.8
59.01378	100.0
60.01707	0.9
61.98837	2.9
71.01384	17.3
71.29281	0.9
72.99314	0.9
73.02956	1.3
75.00885	1.5
83.01387	1.3
85.02935	3.2
87.00884	1.5
89.02444	22.9
99.00888	0.8
99.04517	0.9
101.02444	12.2
104.28181	0.5
110.40724	0.4
112.79444	0.6
113.02440	7.1
119.03503	12.8
121.02975	2.1
122.14162	0.5
131.03494	0.7
133.02975	1.7
139.03984	0.9
143.03554	2.1
149.04576	0.9
151.00359	1.1
152.03490	0.5
161.02457	5.7
161.04549	6.0
165.09215	8.3
179.03474	0.7
179.04012	0.6
179.05614	7.3
180.03061	0.7
184.32622	0.5
187.11311	2.2
205.12384	1.6
209.08139	0.6
223.13454	0.9
241.01506	1.3
242.02109	0.7
263.09293	1.7
264.09485	2.8
270.01624	1.2
271.02496	1.6
297.03937	1.3
298.04681	3.5
299.02042	1.6
300.02652	0.6
323.07788	3.1
341.03131	0.7
341.06543	3.1
371.07648	1.0
385.18680	15.0
385.23337	0.9
386.19153	1.0
445.07727	3.8
445.12079	1.7
445.16388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53234	0.6
57.11454	0.7
59.01376	100.0
63.75148	0.7
63.92696	0.7
66.60193	0.6
70.74821	1.3
71.01377	17.9
83.05043	2.6
85.02984	1.5
89.02442	32.4
95.01399	1.0
101.02435	8.3
108.24809	0.7
113.02436	7.8
119.03490	11.0
131.03523	1.6
141.00160	3.1
141.73705	0.9
143.03500	3.1
143.04593	1.5
149.04539	1.1
161.04538	4.7
173.02774	3.9
179.05603	22.0
210.24236	0.7
213.38683	0.7
350.94119	0.7
426.62173	0.7
445.20886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	1.3
61.98832	2.6
62.29977	0.8
71.52296	0.7
78.95917	4.6
113.97567	0.7
117.09848	0.8
134.04701	1.0
144.30644	0.8
149.00075	5.4
205.15961	6.1
241.01566	1.3
245.01019	1.3
264.10037	1.4
270.01886	1.3
299.02158	2.0
355.16745	21.9
356.17062	1.5
385.17834	13.7
386.18381	1.3
427.16312	2.5
445.07773	2.5
445.20065	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
57.34728	0.4
58.00613	0.4
59.01378	100.0
60.01718	1.1
63.97616	0.4
69.80551	0.8
69.80956	1.3
71.01382	10.4
71.01782	0.6
72.99323	0.5
73.02954	0.6
83.01401	0.6
85.02969	2.1
87.00888	0.8
89.02444	14.0
90.56565	0.4
101.02451	6.3
113.02447	4.2
114.12093	0.3
119.03499	6.3
120.14635	0.4
121.07333	0.4
128.07860	0.4
131.03546	0.7
134.29286	0.4
134.94521	0.4
137.01146	0.4
143.03520	0.9
146.76801	0.4
149.04623	0.4
161.04538	1.8
163.11320	0.9
179.05609	1.9
189.84541	0.4
205.12331	5.7
206.12750	0.6
296.27057	0.4
299.36456	0.5
305.56393	0.4
411.76569	0.4
445.20822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25484	1.0
57.03441	3.3
58.00595	2.2
59.01376	100.0
61.98824	1.6
62.69653	1.0
67.67865	0.9
69.38107	6.5
71.01379	36.5
72.99287	1.2
73.02938	3.4
83.01382	1.8
85.02956	7.4
87.00878	3.4
88.98804	1.2
89.02441	54.9
95.01398	1.8
98.20678	2.1
99.04557	1.0
101.02441	27.7
113.02451	16.0
119.03496	26.5
125.02462	1.7
131.03491	1.8
143.03491	4.4
149.04495	1.9
153.09290	1.2
161.04550	7.9
165.09206	22.9
166.09586	1.4
179.05609	14.3
182.02225	1.5
187.11261	5.1
205.10481	1.2
205.12383	3.4
207.00972	1.3
209.11795	1.8
223.13414	2.9
225.77196	1.1
258.77271	1.0
345.44904	1.2
385.18680	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88976	0.4
58.00595	1.1
59.01376	100.0
60.01699	0.5
61.98846	0.8
69.52406	3.0
71.01378	16.9
71.13094	0.4
72.99323	0.6
83.05028	2.1
85.02946	2.6
87.00876	1.4
88.65864	0.5
89.02440	28.6
95.01400	1.3
98.20567	0.9
101.02440	7.6
113.02440	7.2
119.03493	11.6
121.06598	0.6
131.03529	1.6
143.03497	2.7
149.04590	1.4
161.04538	4.8
179.05602	19.7
190.75694	0.4
205.12369	0.7
209.11879	1.2
221.15102	0.5
348.09000	0.6
391.10089	0.5
445.20667	2.5
447.60153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	3.8
59.01367	3.3
61.98821	3.1
64.09915	0.9
71.74481	0.8
74.02464	9.0
78.95946	1.1
86.02483	3.2
87.05663	1.5
88.98808	4.9
89.02435	1.0
96.96003	2.1
97.04068	1.0
99.05632	7.1
101.07253	1.1
109.02943	1.0
111.32153	0.9
116.05071	3.6
127.05112	1.0
128.03534	23.0
135.05582	1.2
136.61374	0.9
137.02409	1.1
140.01753	80.3
141.02046	1.8
141.06747	1.0
142.03247	1.4
143.04616	32.7
146.04582	3.5
153.06731	1.1
166.09814	1.2
167.04521	2.0
172.04367	100.0
173.04570	2.3
174.51236	0.9
179.04655	5.0
185.05664	1.5
203.08253	7.2
210.08781	5.5
229.02916	1.3
241.03731	3.6
254.07819	15.4
255.08264	1.1
272.08844	44.4
273.09122	1.5
291.21509	1.0
323.14166	1.2
329.11624	1.0
412.60489	1.0
413.11292	1.5
427.12598	1.3
445.14111	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	445.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
60.99572	0.6
70.82111	1.4
71.01386	0.9
75.60496	0.6
83.01388	1.7
89.02422	0.7
112.68858	0.7
137.02440	6.7
138.03217	1.3
149.09676	0.8
150.03209	0.9
153.01884	0.8
157.58681	0.6
163.11237	0.9
165.01904	9.2
166.02626	3.0
170.02184	1.4
179.03496	11.0
182.02184	3.2
193.05042	5.0
195.02937	2.4
204.15613	0.7
207.02983	15.4
207.06612	7.4
208.03464	0.8
209.11763	1.0
219.10220	1.9
219.94856	0.6
221.04602	4.7
221.11821	1.6
223.09732	0.9
235.06096	9.6
235.09801	1.7
237.11293	18.8
240.10162	0.7
247.09673	1.2
259.09705	1.2
263.09366	1.6
264.09995	69.3
265.10727	28.9
266.11227	1.3
271.02737	0.9
277.10748	1.5
409.15112	1.0
427.16040	100.0
428.16397	9.1
445.07645	0.9
445.17136	14.4
446.17456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0774
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03422	0.6
59.01357	1.4
61.98823	0.5
63.02382	1.9
65.00321	3.8
69.26454	3.3
71.01376	0.6
72.32596	0.5
73.02883	0.5
81.42223	0.4
83.01384	3.1
85.02940	0.9
89.02424	1.3
98.20671	0.9
102.29659	0.5
103.50760	0.4
107.01385	7.2
113.53570	0.4
117.03503	0.6
121.02913	0.9
125.02448	5.8
133.02951	0.7
135.04506	1.1
137.02362	0.4
137.06044	0.5
145.02943	2.3
147.04501	1.6
148.59245	0.4
149.02396	0.7
151.00362	27.8
152.01025	1.3
153.01903	0.6
159.00780	0.5
159.04478	1.1
161.02419	6.7
162.03163	1.1
163.00433	0.7
163.03999	3.7
169.01413	1.6
173.02405	1.0
174.03146	0.8
175.03964	2.6
178.99847	13.2
187.00342	1.5
187.03917	0.9
189.01894	2.7
190.02519	0.9
191.03516	2.1
192.00603	1.0
193.01361	0.9
193.05125	0.5
199.04007	1.0
201.01855	0.7
203.03514	1.3
205.12323	0.8
211.03993	1.0
213.01869	0.5
213.05533	0.5
217.01390	0.7
217.05034	0.5
221.04572	0.8
223.04047	0.4
225.05579	1.0
227.03424	2.4
229.01367	0.6
229.04997	0.8
231.02972	0.7
239.03452	1.1
241.05016	1.5
243.02882	1.2
247.02551	0.9
251.03363	1.7
253.04942	0.6
255.02913	1.3
257.04373	0.7
267.02948	1.6
269.04492	1.7
270.01627	0.7
271.02414	1.4
279.03021	1.3
283.02417	1.7
283.05835	0.4
284.03296	0.8
285.04022	1.8
295.02463	7.9
296.03058	1.6
297.04050	7.4
298.01147	1.0
299.01901	1.2
300.02722	1.7
301.03375	2.3
309.04031	1.0
311.01865	2.8
312.02777	0.9
313.03531	7.4
314.04095	0.6
315.05237	0.6
323.01968	9.6
324.02606	1.1
325.03497	0.5
327.01471	7.5
327.05176	0.9
337.03574	0.8
341.02979	21.9
342.03333	1.2
353.02859	0.9
355.04596	1.5
371.03952	0.5
373.05447	1.2
383.03589	0.6
427.06741	0.7
445.07715	100.0
446.08112	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	443.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44305	0.5
62.38256	0.6
69.40345	3.8
75.24631	0.6
79.95735	1.6
96.96005	100.0
98.20619	0.8
99.70167	0.6
109.65995	0.6
121.71831	0.6
127.17954	0.5
182.02243	1.9
183.02965	2.2
203.10699	1.5
223.80637	0.6
276.28055	0.6
345.08344	2.0
372.81476	0.6
443.15503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15597	2.8
53.82510	3.0
55.44501	2.9
59.01377	7.1
61.98832	100.0
70.98689	4.7
70.99023	3.4
73.03310	2.8
78.95882	3.6
81.12258	3.3
81.89867	2.6
209.61523	3.3
211.07555	3.8
228.17540	3.3
254.05824	83.8
255.06587	90.1
256.07083	6.3
279.06458	4.5
381.13409	88.8
382.13794	8.2
385.54984	3.5
427.15738	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96283	0.5
59.01379	2.4
61.98813	1.7
63.02381	1.1
65.00320	2.1
71.01383	1.0
83.01385	2.1
93.03453	9.0
107.01379	3.8
108.02171	1.4
109.02934	3.5
117.03463	2.2
119.05000	1.0
121.02979	3.3
122.62078	0.5
135.00879	1.0
137.02443	15.8
138.02756	0.7
139.03943	0.5
145.02950	13.5
146.03148	0.6
146.06564	0.5
148.01646	1.9
149.02501	0.7
151.00365	17.7
151.01591	1.0
152.00703	0.6
163.00351	4.9
163.03987	2.0
164.01212	1.1
165.01929	0.7
169.01366	0.6
175.04106	0.5
178.99838	9.3
183.04492	0.7
187.03963	1.1
192.00525	0.7
193.01410	0.8
199.03989	1.0
201.05565	0.9
207.45717	0.5
211.03952	2.0
214.02718	0.5
215.03488	1.3
221.67169	0.6
226.02757	1.7
227.03503	3.8
228.04085	0.7
229.01218	0.5
229.05087	1.4
241.01434	2.6
242.02130	1.3
243.02977	9.3
244.03471	0.7
245.01018	0.6
245.04507	2.4
251.05569	1.5
254.02142	2.0
255.02960	22.9
256.03448	1.4
257.04779	0.6
266.85623	0.5
268.68469	0.5
270.01736	1.9
271.02460	49.7
272.02921	3.8
273.04025	1.6
283.02435	2.2
285.03827	0.6
298.01184	1.3
299.01907	3.2
300.02731	66.5
301.03494	100.0
302.03864	5.8
307.08209	8.5
308.08630	0.5
410.88199	0.6
413.10855	1.8
445.07715	46.3
446.08051	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	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56577	5.9
57.03433	7.6
61.69562	5.7
61.98828	17.6
62.75338	5.6
65.04227	5.0
69.38830	44.3
70.47664	6.5
70.59645	5.4
83.68806	5.4
96.96014	88.4
96.96970	9.1
97.95951	7.1
98.19969	13.9
98.95596	100.0
98.96404	15.3
99.92604	19.4
100.76561	6.2
105.16879	5.9
109.02938	9.4
115.92074	32.7
116.92887	11.1
123.04506	7.1
125.02448	67.0
133.02965	10.2
151.04005	14.4
153.01991	6.6
160.01645	6.1
161.02498	35.6
163.02916	9.2
167.03510	6.6
177.01907	12.2
179.03465	7.6
201.73965	5.7
235.28146	7.7
254.03558	6.6
289.07028	13.0
302.00620	6.4
343.09323	10.7
441.01538	30.6
441.19122	60.7
442.01468	7.5
442.17850	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	442.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98820	3.8
66.35055	0.4
70.21137	0.9
70.21497	0.9
71.01371	1.0
75.00871	0.6
83.01367	2.4
84.63846	0.4
85.59948	0.5
96.96004	10.6
97.02927	0.6
98.20009	0.5
137.02409	2.4
138.03242	1.6
150.03172	0.9
151.03867	0.4
153.01918	0.8
164.10803	1.0
165.01927	4.5
166.02702	2.7
167.03496	1.5
170.02289	0.9
178.02751	0.4
179.03490	6.4
181.01418	0.6
182.02182	2.9
183.02960	1.6
188.08406	0.7
191.07066	0.5
192.04247	0.4
193.05038	3.1
193.08771	0.5
195.02965	3.8
196.03603	0.6
203.10747	5.0
203.45985	0.4
207.03059	8.2
207.06604	22.1
208.03575	1.1
208.06964	1.2
208.09732	1.5
210.11346	1.7
218.11780	0.5
221.04581	1.0
221.08089	0.5
222.05231	0.9
234.11371	2.3
235.06100	26.8
236.06580	1.7
236.09305	1.5
236.12918	1.1
238.10901	0.7
250.10864	1.1
252.12405	15.9
253.12646	0.7
262.10889	1.2
264.08743	1.5
274.10892	0.6
278.10379	1.1
279.11096	51.5
280.11844	27.3
281.12219	1.7
292.11908	0.8
345.08072	0.6
381.01062	0.4
424.16101	0.6
442.17157	100.0
443.17538	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	441.1401
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
59.01376	1.2
61.98821	1.4
65.57925	0.5
69.26716	4.9
71.01353	0.8
83.01363	3.0
84.33733	0.5
100.17985	0.6
109.02975	0.6
113.45527	0.6
121.06567	0.8
135.04532	0.8
137.02411	1.8
138.03210	2.7
141.01883	0.6
149.05981	0.6
151.03972	1.5
153.01912	4.5
161.02394	1.3
163.04016	4.4
164.04781	1.1
165.01883	1.6
166.02660	1.8
167.03503	1.2
170.02252	1.5
175.03983	0.7
178.02707	0.7
179.03477	17.6
180.03775	0.7
181.01425	8.8
182.02170	9.1
183.03018	1.1
189.01784	0.5
189.05484	0.8
191.03529	6.5
192.04182	1.8
193.05052	6.2
194.02278	1.3
195.03032	0.9
196.03799	0.6
203.03433	0.9
207.02972	57.5
208.03384	3.0
209.08110	1.1
215.07217	0.9
221.04558	8.5
222.05237	1.2
222.08971	0.9
232.03574	0.6
233.08177	5.4
235.06116	0.6
249.04109	4.3
249.07664	0.9
250.08432	1.6
251.09186	7.5
260.06750	2.8
261.07657	12.1
262.08011	0.8
268.20215	0.6
277.07224	1.3
278.07938	33.1
279.08688	22.4
280.09024	1.6
423.12900	1.0
431.55496	0.6
441.13986	100.0
442.14404	9.2
442.52878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55691	0.7
56.77356	0.6
59.01369	1.2
61.98818	1.9
62.34922	0.6
68.67631	0.6
71.01391	0.7
71.52054	0.9
78.11130	0.6
83.01374	4.7
83.72795	0.6
84.13549	0.7
85.41689	0.6
91.01840	0.7
101.02383	0.8
127.45897	0.7
130.97269	0.6
135.04539	1.0
137.02452	1.5
138.03195	1.0
139.00339	0.8
147.26181	0.7
153.01930	4.1
161.02409	1.6
163.03992	3.2
164.04735	1.6
165.01970	2.1
166.02745	1.2
167.03447	1.0
170.02148	1.0
179.01920	0.9
179.03482	18.8
179.04979	1.4
180.03864	0.9
181.01421	9.7
182.02209	9.3
183.02873	1.1
189.05605	1.0
191.03477	5.4
192.04294	1.6
193.05080	7.0
194.02141	1.1
195.03036	0.7
199.19786	0.7
203.03516	1.4
207.02974	60.6
208.03374	3.0
209.08170	0.8
217.05092	0.8
221.04553	7.5
222.05276	1.0
222.08847	1.0
232.03745	0.7
233.08171	5.7
235.06093	0.8
249.04001	3.9
249.07660	1.0
250.08293	1.2
251.09254	7.7
252.09619	1.0
260.06848	2.1
261.07648	11.1
277.07062	1.4
278.07935	32.8
279.08698	23.1
280.09198	1.3
329.00879	0.8
423.13040	1.1
441.13989	100.0
442.14304	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52114	0.5
59.01364	1.6
61.98817	1.0
63.75344	0.4
71.01364	0.9
71.52088	0.9
78.95901	0.6
83.01382	3.3
86.58311	0.4
89.02430	0.7
93.03421	0.6
99.00884	1.3
101.48254	0.4
113.02484	0.5
119.04961	0.6
137.02423	1.0
137.06036	0.7
141.01938	11.8
142.02206	0.4
142.09685	0.5
151.07646	1.9
152.04741	0.4
164.04745	0.8
165.01920	1.9
167.07144	0.7
179.03490	1.4
181.08687	0.7
182.02170	1.0
183.02933	2.7
189.05682	0.5
191.03476	0.5
191.07196	0.5
192.04176	0.6
193.05064	0.8
193.08742	0.8
195.06618	0.8
204.26703	0.5
205.08720	0.7
206.02245	0.5
207.02959	1.1
207.06635	11.3
208.06989	0.6
209.08160	1.2
213.14940	0.8
219.02977	0.5
221.00952	1.1
221.04547	2.1
221.08162	0.7
222.01744	0.5
222.05333	1.7
223.09706	6.6
233.08197	1.3
235.02409	1.3
235.06084	16.1
235.09752	0.7
236.06787	1.7
237.07646	1.0
243.10255	1.2
249.03978	1.3
249.07617	2.0
250.08372	1.5
251.09247	10.2
261.07684	2.3
263.05496	0.5
277.07150	3.0
278.07944	20.8
279.08707	67.8
280.09012	3.3
315.13239	0.4
405.21393	1.1
441.13977	100.0
442.14328	9.0
467.00214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
61.98817	1.3
71.01381	1.2
71.52547	0.5
72.30296	0.4
78.95914	0.6
83.01379	4.9
85.69056	0.4
86.57301	0.4
89.02433	0.5
90.21680	0.5
99.00890	0.7
125.02458	0.5
129.07086	1.7
135.04539	1.1
137.02457	0.8
142.36998	0.5
147.08226	0.6
150.03215	1.4
151.04028	1.2
161.02487	0.8
161.06073	0.4
163.04024	1.0
164.01054	0.4
165.01941	0.9
173.06056	0.5
175.03975	1.1
176.04723	1.3
178.02716	1.6
179.03487	3.7
181.61517	0.4
189.01945	0.7
189.05560	2.4
191.03384	0.5
191.07056	0.6
203.03482	4.3
203.07059	0.8
204.04277	2.2
205.08708	0.8
206.02165	1.3
207.03017	4.1
215.07227	0.7
217.05038	1.1
218.05798	0.9
219.06558	0.9
231.02968	5.6
231.06581	0.8
232.03690	2.3
232.07365	0.9
233.08160	20.2
234.08449	1.3
235.02512	2.4
235.06044	0.9
237.07486	0.5
246.05251	0.9
248.79437	0.5
260.06866	3.6
261.07642	13.2
262.08008	1.0
273.07745	0.9
276.13303	0.4
277.07147	2.2
278.07935	54.5
279.08688	60.6
280.09152	3.2
290.07767	0.6
291.08835	0.6
314.47116	0.5
441.13974	100.0
442.14316	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	441.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62759	0.6
59.01374	1.7
61.98835	4.0
69.03464	0.9
71.01365	1.2
71.40786	0.6
77.03976	0.5
83.01390	2.2
87.84188	0.5
93.03467	0.6
95.01392	1.0
97.02934	1.2
99.00884	1.6
109.02937	0.9
110.00095	1.3
111.00858	2.8
116.67282	0.6
121.02946	2.1
125.02446	0.6
137.02419	6.2
137.99600	0.7
139.00392	3.0
139.03976	1.0
140.01164	1.1
141.01930	3.6
151.04027	1.3
153.01923	4.5
155.03500	0.9
165.01927	8.0
165.99095	3.0
166.02666	1.0
166.99823	2.4
167.03537	0.9
178.95746	0.6
179.03511	1.5
181.01427	8.9
182.02197	100.0
183.02966	90.2
184.03308	2.7
195.02983	1.8
198.21696	0.6
207.02939	2.8
222.24361	0.6
225.03955	1.0
238.89644	0.6
278.07886	2.7
279.08649	1.2
320.02292	0.6
327.07150	2.2
345.08255	13.4
357.12009	0.7
441.13977	65.3
442.14297	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	441.14
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
56.50999	0.9
59.01368	3.5
61.98811	0.8
65.00305	0.7
71.01356	1.0
71.52299	1.0
78.95911	1.8
83.01386	4.7
85.02980	0.9
89.02424	1.1
89.77005	0.8
107.05029	1.3
109.02956	1.3
113.61510	0.8
123.04538	1.2
125.02408	1.1
135.04523	1.2
137.02464	2.3
138.03230	2.3
151.04024	1.7
153.01898	5.7
161.02431	2.7
163.00385	1.2
163.02747	1.0
163.03946	4.3
164.04689	1.4
165.01947	4.8
166.02721	2.1
167.03435	1.4
170.02184	1.7
175.03981	1.0
178.02701	1.4
179.03488	30.5
180.03903	1.3
181.01422	7.9
182.02231	11.2
189.05609	1.2
191.03482	6.0
192.04153	1.0
193.05046	11.1
194.02194	1.5
195.02977	0.9
196.03731	1.1
203.03355	1.3
207.02975	80.5
208.03415	4.5
209.08151	1.9
215.07158	1.2
217.05191	1.2
221.01050	5.0
221.04515	12.5
222.01526	2.1
222.05219	1.4
233.08170	6.1
235.02473	1.8
238.39267	1.0
249.04054	4.7
251.09244	7.2
252.09167	1.0
260.06845	3.4
261.07648	17.2
277.07281	2.2
278.07938	46.1
279.08682	28.5
280.09082	2.1
291.08426	1.0
303.08450	1.0
423.13000	1.3
441.14035	100.0
442.14566	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	441.14
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
59.01373	1.5
61.98826	3.5
69.84832	1.5
69.85244	2.3
71.01366	1.7
71.14885	0.8
77.75942	0.7
83.01378	4.1
98.19870	1.1
109.02951	1.0
115.00309	0.8
137.02460	4.4
137.06085	0.8
139.03888	0.9
141.01958	1.3
150.03227	0.7
150.06880	1.2
151.04015	1.3
153.01918	6.6
153.09158	1.0
165.01921	13.0
166.02708	1.5
167.03375	1.7
171.10262	2.7
179.03499	22.5
180.03903	0.8
181.01408	2.6
181.05072	1.8
182.02197	5.3
183.02908	5.4
191.07150	1.7
193.08786	1.0
195.03091	1.0
207.02992	32.1
207.06601	10.8
208.03726	5.3
208.06961	0.7
209.04619	3.6
209.08165	6.1
209.11868	0.9
219.06310	0.8
221.08102	1.2
233.08112	1.2
235.02412	1.3
235.06129	2.6
235.09702	2.2
236.06889	2.4
237.04074	1.6
237.07674	8.8
249.07758	2.0
251.09239	6.4
252.09850	1.6
261.07663	2.7
263.09247	1.7
278.07938	39.3
279.08670	17.9
280.09384	4.7
281.10281	1.4
291.08801	1.1
296.96027	0.7
309.04178	0.8
325.20206	1.7
359.61166	0.9
441.13980	100.0
442.14191	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.5
61.98838	3.4
70.82643	1.6
71.01372	22.0
71.52819	3.0
73.02953	2.5
75.00862	3.7
80.16706	2.0
84.68394	1.8
85.02944	3.6
89.02430	3.6
97.02960	1.7
101.02432	5.2
113.02444	7.3
128.36038	1.7
166.44617	1.6
277.21707	100.0
278.22095	4.3
291.23251	3.2
301.21658	2.4
319.22705	15.4
331.22693	4.4
365.26868	2.6
429.87445	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	441.0824
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.74045	0.4
56.22580	0.4
57.03438	1.8
59.01374	1.0
59.03640	0.4
61.54330	0.4
69.03445	1.5
71.01385	0.8
79.01870	0.6
81.03451	2.2
83.01397	1.9
85.02940	0.6
89.02483	0.5
93.03465	0.5
95.01375	0.9
95.05008	1.2
97.02946	3.9
98.19878	1.3
101.02467	0.6
107.01366	1.8
109.02950	9.6
111.00884	1.0
121.02966	1.6
122.03699	0.4
123.00879	1.5
123.04520	5.4
124.01673	1.0
125.02441	69.3
126.02776	1.3
129.12724	0.4
133.02957	2.5
133.06657	0.7
134.03729	0.5
134.05377	0.4
135.04518	1.6
137.02458	6.6
139.00352	0.8
139.03984	1.3
140.01132	1.2
145.02951	2.7
146.03709	0.7
149.02484	2.8
150.03256	0.7
151.00441	0.5
151.03990	5.1
159.04530	1.4
160.05278	0.8
161.02425	7.2
161.06056	1.8
162.03221	1.0
163.73427	0.5
164.01160	1.1
165.01904	1.8
166.99852	1.2
167.03491	0.9
168.00662	1.6
169.01421	100.0
170.01755	3.0
173.06107	0.5
175.03996	1.4
175.07707	0.6
179.03522	2.8
185.06194	0.5
187.03970	1.9
188.04765	1.4
193.01414	4.2
201.05510	0.6
203.07124	5.3
205.01468	0.8
205.04997	2.8
211.52182	0.5
212.04762	0.7
215.75685	0.5
221.08121	1.1
227.07143	1.1
243.06703	0.6
245.08150	6.6
247.06029	0.6
253.04880	0.9
259.06061	0.8
271.06165	4.4
272.06805	0.5
287.05621	0.8
289.07162	35.9
290.07425	2.2
303.05057	1.8
331.04480	2.5
441.08273	6.8
441.17685	4.9
442.08752	0.7
442.17371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37176	1.1
55.20160	1.1
57.03425	2.1
59.01374	16.9
61.98828	1.9
71.01381	28.6
72.99296	2.1
73.02934	9.4
75.00877	3.9
85.02962	8.0
85.86886	1.1
89.02443	6.9
89.53355	1.1
95.01392	2.7
98.20662	3.3
101.02438	8.0
111.08147	1.9
113.02446	19.0
139.07654	2.1
144.86609	1.1
161.04590	2.1
273.22235	7.1
277.21704	100.0
278.22049	8.7
287.23618	1.4
291.23279	29.7
292.23663	2.0
301.21783	5.5
319.19351	1.9
319.22803	18.3
331.22720	5.9
349.23813	3.8
373.23752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1242
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
52.58271	0.7
58.00596	0.9
59.01377	10.7
61.98812	3.3
64.46460	0.7
69.06656	0.7
71.01363	6.2
71.28488	1.4
79.05511	0.9
83.01382	11.5
85.02938	2.1
89.02455	3.6
101.02425	3.4
106.04237	0.9
108.02168	1.5
109.02952	1.7
113.02443	2.4
119.03476	1.1
121.06588	2.4
125.02397	1.6
130.04227	0.9
131.05016	2.4
140.55518	0.8
145.02965	0.9
145.06584	1.1
147.04506	1.2
147.08112	1.0
149.06067	59.1
150.06459	1.6
153.01973	0.9
161.02444	7.8
161.04572	0.9
161.06035	1.5
162.03214	1.4
163.03964	0.8
163.07616	2.4
165.01956	0.8
171.08121	1.4
173.06123	3.9
175.03981	2.4
187.07672	1.3
189.05539	1.6
191.07095	6.1
200.04735	1.1
203.03523	3.1
203.07114	1.6
205.08702	1.0
215.07100	16.0
216.07530	1.3
217.05023	2.5
219.02946	0.9
231.06633	2.8
233.08192	3.5
240.04424	1.8
241.04875	0.9
248.06978	1.1
249.07315	0.9
259.06082	32.9
260.06540	3.0
261.07657	1.3
393.17523	1.6
411.13312	0.9
439.12408	100.0
440.12784	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27164	1.0
57.03450	1.4
59.01379	14.9
61.29428	1.0
61.98838	1.9
71.01380	20.4
71.52628	1.2
72.99299	2.0
73.02929	8.5
75.00872	3.8
78.78066	0.9
83.01376	1.7
85.02959	5.4
89.02454	6.6
95.01407	1.3
101.02435	6.3
106.60169	1.1
112.37482	1.1
113.02445	11.3
119.03513	1.1
125.06042	1.4
129.21590	1.1
139.07613	2.3
156.02492	1.0
196.14468	1.0
205.19435	1.0
206.75354	1.1
255.21350	1.2
263.23795	1.6
273.22241	4.6
277.21701	100.0
278.22089	8.0
290.79831	1.1
291.23276	25.4
291.26416	1.9
292.23730	1.7
301.21832	5.5
302.22220	1.1
319.22787	10.4
331.22659	3.7
349.23740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
71.01389	0.6
76.71301	0.4
78.95901	24.6
79.95726	2.3
96.96001	100.0
96.96952	52.3
97.95936	0.5
101.02453	0.5
153.66592	0.3
169.14153	0.4
194.47052	0.4
210.56027	0.4
439.08463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11486	0.4
59.01373	0.8
69.21386	0.4
70.23044	1.5
70.88761	0.5
71.01374	2.2
71.57550	0.5
72.99298	0.5
78.95898	43.2
87.00826	0.5
89.02434	0.9
96.96040	15.4
96.96953	100.0
115.00381	4.3
125.43687	0.5
129.03154	0.4
133.01431	11.7
133.02942	0.5
149.65079	0.5
156.08925	0.4
161.02394	1.0
175.59082	0.4
179.03433	0.8
246.60355	0.5
267.71259	0.5
276.57254	0.4
341.10809	0.5
408.30014	0.5
439.08627	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1242
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
54.03910	0.5
55.25074	0.4
55.40644	0.4
59.01373	1.3
59.85897	0.5
61.98813	2.2
66.87051	0.5
69.79057	2.3
71.01375	0.6
72.11757	0.4
83.01392	1.9
85.02917	0.5
87.70918	0.4
96.95998	0.7
105.03415	0.5
117.03471	0.5
131.60754	0.5
145.02942	2.2
150.03214	0.4
150.56021	0.5
161.02504	0.6
163.04031	1.9
164.04785	16.7
165.05099	0.4
177.01868	0.9
178.02753	0.9
191.03485	35.6
192.04239	10.5
193.04921	0.7
206.02290	0.6
219.02969	32.9
220.03741	17.3
220.05956	0.8
221.04329	0.6
226.97031	0.4
231.06586	0.8
233.04744	0.5
234.05505	0.5
235.06107	1.9
247.06029	1.0
249.07655	1.3
259.06143	0.6
271.05975	0.5
275.05609	1.5
276.06369	53.7
277.07135	85.7
278.07413	4.0
289.07236	1.3
382.09271	0.5
387.17819	0.4
439.12399	100.0
440.12711	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	439.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76625	0.3
57.03443	0.8
59.01384	1.6
61.98825	0.4
71.01373	0.6
78.95882	0.5
79.95738	1.8
89.02431	0.5
96.96009	100.0
97.95963	0.5
123.04502	0.4
125.02437	2.3
133.02942	4.8
133.06583	1.3
135.04518	1.3
151.03979	0.6
161.02432	23.1
162.02745	0.7
177.01953	0.7
177.05505	0.4
179.03497	3.8
203.03423	0.4
215.07191	0.6
233.08321	0.5
281.07059	0.3
341.08743	11.5
342.08963	0.5
381.03085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01374	0.9
61.98837	0.7
71.01367	0.9
71.17979	0.5
78.95903	4.7
79.95741	2.2
89.02457	0.6
89.55452	0.3
93.46662	0.3
96.96008	100.0
96.96908	7.8
109.02964	0.6
109.71855	0.3
111.00847	0.8
113.02409	0.3
125.02456	1.7
133.03001	1.8
135.04521	6.9
149.06046	0.5
151.03990	0.5
161.02431	6.7
175.04005	1.5
177.01892	0.6
177.05556	1.0
179.03494	9.4
180.04004	0.4
203.03496	8.8
204.04007	0.4
220.88316	0.3
221.04530	0.7
277.00287	1.4
289.07196	0.5
322.74210	0.3
341.08749	5.6
439.04654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55459	1.6
54.82357	1.6
60.43201	1.6
61.98827	100.0
62.57766	1.8
62.70747	2.1
69.22401	17.9
82.20733	1.7
103.19728	2.0
116.65759	1.9
121.61496	2.2
127.70078	1.7
133.02977	9.9
135.04524	17.8
144.91115	1.6
161.02426	83.8
162.02792	3.7
177.05367	1.8
179.03493	5.9
213.14909	9.9
229.88039	2.0
357.16718	3.0
375.18091	64.4
376.18384	2.4
438.65488	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	438.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06387	3.2
58.01506	3.8
61.98828	100.0
70.51761	6.5
98.20593	3.4
133.37914	3.4
157.01401	4.0
165.44377	3.8
281.24860	8.6
439.26859	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	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.2
61.98827	100.0
70.27917	0.4
94.75755	0.2
134.13332	0.2
184.73473	0.2
197.11238	0.2
215.64055	0.2
274.65195	0.2
319.61597	0.2
407.80038	0.2
450.46704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11103	0.5
59.01385	2.5
61.98828	100.0
64.18479	0.4
71.01385	0.6
76.15231	0.4
78.95917	0.8
80.35498	0.4
80.96478	0.5
83.01405	0.5
85.02947	0.5
94.55043	0.4
114.41274	0.4
125.62059	0.4
134.04730	1.0
149.73082	0.5
155.98268	0.5
214.96722	0.5
228.99179	0.5
248.69043	0.5
291.57379	0.5
306.07587	0.7
375.27527	9.8
376.27963	0.8
426.51486	0.5
438.14767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38278	0.4
59.01374	1.3
61.98823	1.0
67.01884	2.4
69.03446	0.8
83.01380	9.8
84.41303	0.5
85.02972	2.7
97.02973	0.8
99.00874	3.9
104.50444	0.5
109.02925	0.7
111.00900	1.2
113.02431	7.0
121.02930	1.6
127.85724	0.5
133.46959	0.6
136.98737	0.8
141.01939	100.0
142.02257	2.9
153.01932	7.3
155.24078	0.5
157.01430	0.5
160.91391	0.5
181.01418	14.6
182.02202	10.5
185.05984	0.7
187.07645	2.1
199.07507	0.6
210.06798	1.0
211.07588	2.8
213.05588	4.2
226.06067	0.7
227.07216	0.6
237.09225	0.7
238.06317	1.6
241.05013	1.5
251.07112	0.9
254.03401	0.4
254.05826	8.9
255.06607	94.2
256.06934	6.2
259.72324	0.5
265.08713	1.3
267.06647	9.4
268.08173	0.8
279.06470	1.0
281.08298	1.5
291.06570	1.3
293.04565	1.0
294.05334	16.0
295.06073	17.5
296.06247	1.1
307.06119	1.2
309.07593	3.4
353.06247	1.1
375.08606	0.8
393.10294	0.7
437.08707	25.2
438.08948	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	437.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65341	0.8
57.03431	2.1
59.01379	13.0
67.01899	3.3
71.01010	1.1
71.01380	15.2
71.01778	1.0
71.05684	1.4
72.99306	2.3
78.95904	6.3
80.96336	1.2
83.01388	4.1
85.02948	41.0
87.00874	53.4
91.09267	0.8
99.00893	0.9
100.19467	0.7
111.00868	1.3
112.98817	4.1
113.02446	2.0
115.00374	45.1
116.00765	1.1
129.01942	8.5
149.50534	0.8
152.99588	7.1
153.99899	2.2
154.14171	0.7
154.99994	4.5
157.01413	57.4
157.68843	0.7
158.01707	1.1
175.01015	1.5
175.02466	24.7
261.22623	0.7
279.23279	100.0
280.23645	8.6
437.25415	65.3
437.30246	1.4
438.25812	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2513
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.70719	0.2
62.96392	0.4
70.74264	0.5
78.95898	42.9
96.96957	5.0
98.19952	0.2
101.09595	0.2
150.97978	1.5
152.99576	100.0
153.99901	1.9
171.00629	4.1
281.24857	1.1
377.96768	0.2
435.25134	10.0
436.25540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11959	1.2
58.02979	11.2
58.99612	3.6
59.01387	3.0
61.98824	7.5
63.62486	1.4
66.03485	2.4
71.01382	2.1
72.00905	1.5
74.02472	22.8
81.04551	1.8
82.02979	5.4
84.04563	1.8
85.04066	2.4
86.02466	10.2
86.06145	1.8
87.05637	6.8
90.00163	1.8
94.98105	4.6
95.02515	1.7
96.04562	1.3
96.96008	23.6
96.96941	1.7
97.04076	1.6
98.02469	1.8
99.05647	21.6
101.07219	4.9
102.05611	4.3
104.49963	1.6
109.04102	2.4
111.05618	2.2
112.04067	3.0
123.05625	1.8
125.03572	2.7
127.05119	3.4
128.03535	61.1
129.03879	1.8
129.99673	1.7
135.05656	4.1
140.62482	1.4
141.06656	3.3
143.04616	87.3
145.06180	4.0
146.04564	9.0
153.06683	6.1
156.23961	1.5
160.00737	14.6
166.09879	2.5
167.04628	6.5
167.08264	3.3
171.07729	1.7
177.01993	2.5
177.03395	4.8
179.04604	16.5
181.06139	2.4
185.05664	3.4
187.03951	1.4
197.05780	2.1
210.08818	18.0
220.92079	1.6
226.48615	1.8
254.07838	21.1
272.08850	31.5
273.09097	2.0
288.06537	5.2
306.07632	100.0
307.07910	5.1
332.09189	5.1
333.81265	1.5
376.10345	2.2
418.12720	2.0
436.13394	19.5
437.14963	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	436.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33684	0.5
52.55457	0.5
59.01377	1.9
59.83503	0.5
61.18246	0.4
61.98830	100.0
62.31338	0.5
62.98524	0.6
70.55444	0.5
71.01388	0.8
71.43976	0.5
71.52763	0.6
75.00865	1.3
83.01402	1.3
99.00919	0.5
103.51646	0.5
115.00394	0.6
125.02399	0.7
135.03004	0.7
152.03470	0.6
163.13605	0.5
164.07175	1.3
175.02505	1.1
180.02975	0.9
182.04707	0.5
192.06593	1.1
202.08751	0.7
208.02502	0.9
218.08383	0.5
220.06216	0.7
244.09961	0.5
256.09702	0.5
258.07758	1.1
300.08838	0.9
301.92398	0.5
316.08420	1.2
318.09830	14.0
319.10178	1.0
328.07944	0.6
343.25104	0.9
373.25931	13.8
373.30621	0.7
374.26166	0.6
436.12561	0.9
437.18423	0.5
437.24146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29078	0.3
51.31565	0.3
58.00605	0.2
59.01377	45.7
60.01704	0.5
63.32947	0.2
69.46794	0.8
69.47219	0.9
71.01385	1.9
73.02938	0.6
74.79032	0.2
83.55376	0.3
85.02958	1.1
85.68686	0.3
89.02445	1.1
95.01395	0.6
101.02469	1.3
101.75455	0.2
113.02419	3.0
119.03493	1.0
161.04541	0.7
167.72324	0.3
169.99384	0.2
174.06393	0.3
183.13881	7.6
184.14255	0.4
189.01906	0.3
195.13895	8.7
196.14342	0.5
213.14944	100.0
214.15308	5.4
214.17398	0.3
223.16994	0.5
227.16545	0.9
237.14995	0.8
255.15955	1.0
267.16068	0.5
341.06793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.8
59.01381	16.1
67.01897	3.8
69.33781	3.9
71.01376	19.6
72.99310	4.1
73.02911	1.1
78.95892	2.4
83.01390	5.3
85.02950	51.2
87.00874	63.9
107.24976	0.7
111.00909	1.4
112.98796	4.2
113.02408	2.1
115.00375	53.7
116.00688	1.1
121.47476	0.6
129.01947	11.4
152.99593	3.5
154.99997	1.5
157.01416	70.2
158.01717	1.9
175.02469	29.3
176.02820	1.3
273.92990	0.8
277.21701	100.0
278.22058	7.6
284.09003	0.7
317.21497	0.7
435.23859	68.2
436.24167	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	435.1292
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03442	1.7
59.01374	0.7
61.98823	1.3
65.00323	1.0
66.79976	0.4
69.20985	3.7
81.03452	10.8
83.01379	4.3
93.03449	7.5
95.01387	0.7
95.05037	1.3
98.46648	0.4
103.06185	0.5
107.01355	1.0
111.04518	0.5
119.04176	0.4
119.05024	9.4
123.04527	30.5
124.04821	1.1
125.02451	14.2
135.04501	1.6
149.02425	1.5
151.00368	3.0
166.02713	0.6
167.03487	77.1
168.03848	2.4
179.03491	8.2
183.02924	0.7
185.05945	0.6
187.07657	0.5
189.05588	1.3
191.03542	1.1
229.04062	0.5
229.08681	0.8
255.06529	0.8
257.03546	1.1
259.04254	0.5
269.48431	0.4
273.07657	100.0
274.08002	6.1
285.03928	0.6
286.03888	1.5
287.04453	1.7
288.04761	1.4
289.05185	1.4
297.07806	0.5
315.08740	0.9
345.08347	0.6
435.11917	4.3
442.39240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1293
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.49491	0.6
57.03447	1.2
59.01370	1.7
61.98822	1.1
68.99818	1.2
69.03453	0.7
69.22937	4.2
69.23354	1.9
71.01385	0.8
81.03453	10.9
82.08090	0.6
83.01393	3.0
85.02928	0.7
88.98821	1.0
93.03449	5.4
95.01409	0.8
95.05031	7.4
97.02955	4.9
99.04526	4.6
111.04504	1.1
115.35876	0.7
119.05022	7.2
120.99734	0.7
121.02914	1.4
123.00909	1.0
123.04517	14.3
124.04851	0.8
125.02447	21.2
126.02758	0.7
132.60194	0.6
134.04662	0.8
135.04512	1.5
137.02480	2.9
137.06085	10.0
139.04012	2.9
141.05598	1.1
147.04460	1.5
149.02409	1.4
149.06119	1.1
151.03899	0.7
165.01912	0.7
165.05533	6.7
167.03485	47.6
168.03802	1.9
179.03511	8.7
181.05095	1.3
182.02164	1.3
183.02950	1.0
189.05576	4.5
191.03520	1.1
193.04959	1.4
197.04506	3.0
209.04527	15.1
221.04488	2.6
231.06551	1.3
239.05521	1.4
266.73334	0.7
271.02371	0.9
271.09906	0.8
273.03058	1.7
273.07678	8.1
274.08011	0.9
285.07712	2.2
301.02985	1.0
302.03299	2.3
315.08722	100.0
316.09155	7.9
327.08771	1.4
345.09802	25.4
346.10120	2.7
357.09607	1.6
362.05270	0.7
401.67538	0.7
417.11777	1.1
435.08179	2.4
435.13428	6.7
435.22473	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	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	2.3
61.98827	7.3
67.01853	0.6
71.53254	0.6
83.01389	0.8
84.97020	0.5
88.98794	1.2
91.01902	0.6
93.02877	0.5
93.03455	9.4
93.13483	0.5
95.05007	1.2
103.05505	0.8
108.02166	0.7
109.02948	16.3
116.93487	0.5
117.03464	3.0
119.05001	1.3
121.02935	1.3
122.03693	0.8
123.04524	17.0
125.02414	1.4
133.02934	2.3
133.31650	0.5
135.00882	0.7
135.04492	0.6
145.02948	8.6
146.03606	0.5
147.04547	4.3
149.02351	0.7
150.03136	1.7
151.04005	6.8
159.04485	1.9
161.02419	2.2
163.03987	1.1
167.03468	3.7
173.02254	0.5
176.01089	1.1
177.01923	24.7
178.02348	0.6
182.02187	2.3
183.02940	1.6
187.03957	2.1
189.01923	52.2
190.02679	11.8
191.03488	10.4
201.01939	0.8
201.05556	0.7
203.03535	5.5
203.07118	0.7
211.37265	0.5
216.00627	8.5
217.01404	37.4
218.01984	3.0
219.02965	14.6
220.03323	0.6
231.02962	10.8
232.03636	1.6
233.04428	1.0
241.04976	1.5
255.06430	0.9
269.04572	1.1
271.06140	3.4
273.07657	3.9
281.04553	2.2
283.06064	2.4
289.07199	3.2
290.07272	0.6
293.49173	0.6
297.07791	1.2
311.05634	5.5
323.05469	1.5
325.07312	0.8
334.83276	0.5
341.06616	100.0
342.07022	8.9
345.08282	1.8
375.27365	0.8
435.10822	44.5
436.11136	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	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.4
59.01391	1.9
61.98816	3.2
66.92204	1.1
71.01373	2.7
75.10458	1.1
81.03458	2.4
83.01371	4.2
88.98794	2.0
93.03454	10.6
95.05019	2.6
97.02959	6.0
98.20691	2.9
101.02471	2.0
106.72645	1.1
108.02178	1.4
109.02235	2.3
109.02949	34.5
115.00353	4.4
117.03462	21.3
119.05021	18.0
121.02934	4.9
122.03798	1.1
123.04520	22.1
125.02448	30.4
126.01894	1.2
133.01445	6.9
133.02937	2.2
135.04503	3.1
137.01459	2.1
137.02443	26.0
139.04005	3.6
145.02948	69.8
146.03590	2.0
147.04489	3.3
149.02432	5.9
150.03300	2.1
151.03999	13.7
159.04488	5.6
160.05255	1.4
161.02446	2.9
161.06062	5.0
162.03185	2.5
163.04004	13.9
164.01100	3.2
165.01913	25.7
175.03949	2.6
175.07486	1.3
177.01924	22.6
179.03455	4.1
182.02159	3.3
183.02921	2.1
185.05994	2.1
187.03951	4.0
188.04736	3.4
189.01909	38.9
190.02669	9.9
191.03471	8.9
202.06300	1.7
203.03487	5.1
203.07141	11.4
205.05064	5.0
216.00603	6.8
217.01402	28.6
218.01959	2.4
219.02951	9.9
221.08104	2.5
227.07066	2.8
231.02943	10.0
232.03481	1.3
245.08084	12.4
247.06055	1.8
253.05106	1.9
253.08606	4.1
269.08170	7.0
271.06100	9.1
271.62787	1.1
285.07385	2.0
289.07159	100.0
290.07474	6.5
297.07623	2.2
311.05609	4.5
323.05649	2.0
341.06625	82.1
342.06906	7.8
345.08231	3.4
435.10846	37.5
436.11057	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	435.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42362	1.2
60.99310	9.0
66.44507	1.2
67.07426	1.3
88.98802	49.1
99.00850	2.0
137.02423	2.8
141.01894	1.4
153.01967	2.1
165.01878	4.8
165.99080	1.2
173.65436	1.3
181.01434	2.7
181.40222	1.2
182.02200	73.3
183.02974	71.0
184.03304	2.5
195.03021	2.3
208.15617	1.1
228.52827	1.3
345.08218	100.0
346.08575	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51115	0.9
55.01861	1.2
55.86966	0.7
55.87583	0.8
56.60790	0.7
57.93698	0.8
59.01364	2.3
60.99006	1.1
60.99303	13.3
61.98808	1.9
66.62039	0.8
71.01400	1.1
71.05025	4.9
71.51105	1.4
77.17332	0.7
77.17855	0.7
78.95889	1.0
83.01408	0.8
85.76163	0.8
88.98800	100.0
95.05008	1.2
96.96019	1.0
97.02948	8.0
115.00329	0.8
117.67469	0.7
121.79163	0.8
123.70740	0.9
128.16002	0.8
133.01422	1.0
139.04004	61.1
140.04353	1.8
149.02437	1.0
150.03133	0.9
163.03958	2.0
165.05537	3.3
168.06654	1.6
181.05072	1.2
183.02919	1.9
220.19456	0.9
231.41502	0.8
256.08209	0.9
276.57553	0.8
279.62656	0.9
305.97733	0.9
306.07684	0.9
327.10965	0.9
345.08228	29.7
346.08429	1.4
441.38278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.3
61.98827	14.4
71.01401	3.6
71.52220	3.4
83.01391	3.1
88.98803	9.7
107.01353	2.6
118.03427	1.7
119.05035	2.9
151.00352	3.4
153.01900	11.2
166.36792	1.6
177.01883	3.8
182.02216	14.6
183.03000	9.1
195.03015	2.0
199.03911	4.0
213.05568	3.0
216.04308	2.3
226.46909	1.9
228.04173	2.9
241.05032	18.3
243.02740	2.3
243.06749	2.8
256.03714	26.4
257.04376	6.2
258.05093	4.0
269.04572	16.9
270.05341	25.4
271.06046	21.1
272.06311	8.5
273.03906	2.3
273.06754	5.7
283.02399	4.0
285.04062	33.5
286.04425	4.3
297.04019	2.1
298.04767	2.6
299.05646	4.2
312.02753	47.6
313.02997	3.1
315.07193	6.0
324.78775	2.0
325.03503	66.6
326.04074	15.1
326.07581	2.5
327.05066	41.6
328.05682	2.7
333.13229	2.0
341.06760	2.4
345.08289	14.2
355.04739	11.6
386.06094	3.1
417.08234	100.0
418.08728	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	435.0926
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
57.03434	1.8
58.31349	0.5
59.01394	3.4
61.98814	1.7
63.02367	0.8
65.00324	4.6
69.59731	0.9
69.60146	2.6
71.01378	1.6
80.74625	0.5
81.03455	1.4
83.01386	5.7
85.02952	1.1
88.98814	3.7
93.03423	0.8
95.04980	0.9
97.02946	1.3
101.02438	1.2
105.03444	0.8
107.01394	8.4
107.04968	0.7
109.02950	0.7
111.00885	0.9
111.33156	0.5
121.02953	37.8
122.03304	1.0
123.04464	1.0
124.01664	5.4
125.02451	20.5
126.02777	0.6
131.01360	0.6
134.04782	0.7
135.00810	0.5
135.04541	1.0
137.02423	2.9
139.04024	0.8
145.02951	0.8
149.02460	3.9
149.99562	1.3
151.00368	30.8
151.03902	1.0
152.00710	1.3
153.01987	0.7
159.63058	0.5
161.02420	1.3
163.03999	1.1
165.01945	1.3
167.03465	1.3
168.00635	7.4
169.01411	4.7
175.00349	4.2
177.01857	0.7
179.03473	0.7
181.01379	3.0
182.02222	7.6
183.02995	7.3
189.01924	0.8
191.03490	1.3
193.01373	2.4
205.01381	1.6
211.65242	0.6
217.01401	1.0
235.02328	1.3
255.02936	0.6
269.06653	0.7
281.04919	0.5
295.04572	23.2
296.04935	1.5
300.02866	0.8
302.03156	0.7
313.05695	3.8
345.08301	6.0
345.12192	0.8
346.08575	0.6
373.07852	4.4
417.08295	1.6
435.09271	100.0
436.09607	8.6
436.15302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32447	2.3
59.01371	24.6
61.32285	2.6
61.98827	87.3
70.71772	4.5
71.01381	24.0
72.01739	3.3
72.99315	3.9
83.01377	5.2
85.02947	20.1
87.00876	47.9
88.01189	5.7
109.02937	2.3
115.00376	61.0
116.00684	13.0
125.19431	2.2
143.10591	2.9
157.01404	10.2
175.02461	100.0
175.04005	5.2
176.02821	41.5
182.02167	7.8
183.02895	2.5
183.13884	8.2
195.13899	9.7
199.09851	10.5
213.14955	59.2
214.15271	4.7
345.08160	2.8
371.17093	78.5
371.24432	7.9
372.17245	7.1
434.07828	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
61.98829	100.0
68.63194	0.5
70.29353	0.5
71.01355	1.1
71.52601	0.7
76.74187	0.5
80.34822	0.5
80.96529	0.6
83.97303	0.5
85.02977	0.8
88.88309	0.4
88.98841	0.5
89.02473	0.6
101.02482	0.5
125.63000	0.5
135.03040	0.9
151.00407	0.6
153.87582	0.5
182.02248	1.0
183.02864	0.7
204.47691	0.5
213.14940	0.9
217.01216	0.6
271.02524	0.6
271.06265	0.6
272.02811	1.0
298.18390	0.5
300.02936	0.6
301.03128	1.2
345.08414	1.0
350.25681	0.5
354.52652	0.5
433.69247	0.6
434.08456	1.4
434.16235	1.2
434.25000	0.6
434.68573	0.6
435.10486	0.8
435.22211	2.3
449.11902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94732	0.9
59.01375	12.4
61.85582	1.1
61.98810	4.1
69.66199	4.0
69.66609	1.9
75.55156	0.9
97.65828	1.1
107.46292	1.2
130.19177	1.0
150.95511	1.3
152.99557	1.3
159.75641	1.2
173.05672	1.2
232.10849	5.1
279.06604	1.1
290.18814	2.2
313.45764	1.2
316.16364	1.5
374.24460	100.0
375.24677	8.6
399.52493	1.2
402.40906	1.2
417.05936	1.2
424.45270	1.3
435.07227	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	435.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
61.98837	4.1
67.01894	4.0
67.54426	1.3
73.18424	1.2
78.95868	2.4
83.01377	11.0
85.02931	4.3
99.00896	4.2
113.02441	7.4
115.14871	1.3
127.16742	1.3
141.01933	100.0
142.02246	1.8
152.99568	4.0
184.21677	1.2
193.22145	1.2
235.07648	1.7
238.06351	3.1
241.05054	2.1
251.07014	1.6
255.06596	1.4
267.06592	8.9
279.06622	17.7
280.07043	2.4
293.04605	8.3
294.05344	20.4
295.06058	13.6
296.06320	1.6
307.06110	28.4
308.02924	1.4
308.06406	3.1
333.03955	4.3
349.07672	1.5
375.14920	3.1
389.06805	2.3
391.08328	2.4
407.07794	4.1
417.06052	7.3
435.07190	60.2
436.07526	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	434.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.2
61.79747	3.1
61.98828	100.0
71.01376	31.5
72.99287	4.2
73.02950	6.2
83.01377	5.4
85.02969	5.5
87.00871	25.6
88.98833	3.8
89.02423	5.8
93.03465	4.3
96.96006	30.8
98.20669	7.2
99.00899	9.7
101.02453	7.4
103.00373	3.6
109.02950	10.4
111.00871	10.6
112.98815	30.8
114.50504	3.3
115.00357	10.2
120.80368	3.5
121.02913	4.4
124.98795	4.0
125.02419	5.7
129.01913	8.4
133.02927	21.9
134.03770	6.9
135.00833	4.0
135.04518	90.8
136.04836	3.9
137.02420	29.1
142.99860	95.1
145.01433	42.2
145.02596	5.0
147.02966	3.5
148.05281	5.4
149.06049	28.2
154.99875	52.0
159.04459	6.6
161.02428	99.5
163.00381	14.9
165.01895	6.5
166.02243	3.4
173.00876	32.7
173.06017	5.8
175.02440	11.7
175.03915	4.9
177.05550	60.8
179.03500	76.7
180.03922	4.1
181.01456	24.5
182.02275	17.1
183.02794	13.3
184.03258	7.3
189.05638	3.5
191.05568	4.0
201.05505	9.1
203.03442	11.3
208.03719	9.9
209.04187	9.7
217.05110	7.5
219.06592	5.1
221.04538	90.9
225.03590	4.0
229.05049	10.2
231.02969	5.3
243.02942	6.4
244.03360	3.4
245.04547	7.4
255.02907	7.7
256.03256	10.8
261.03946	7.8
263.05740	3.4
271.02359	7.1
272.02823	7.8
273.04001	26.9
274.04193	4.0
289.03659	7.0
291.05099	33.6
301.03049	9.3
304.44574	3.6
306.36673	3.2
307.04575	6.5
309.06140	11.6
335.04068	98.1
336.04440	5.5
345.08191	11.3
346.08508	16.8
347.08618	3.3
353.05051	13.9
356.85025	3.3
402.12549	5.3
416.09061	13.9
433.25107	3.9
434.08377	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.8
61.98827	40.3
63.96233	13.8
69.98244	1.7
71.01349	3.6
71.53352	2.7
73.75518	1.4
75.00836	3.9
78.95900	1.7
80.08251	1.4
80.96516	2.1
87.04500	5.1
88.98786	2.4
89.02386	1.7
105.99213	1.5
107.05054	2.0
108.02150	4.0
109.01174	16.2
110.99086	7.2
119.05033	1.8
120.01242	2.3
121.02943	8.9
125.00652	2.6
125.02434	1.7
135.03029	9.2
145.02953	2.8
151.99377	38.7
153.00169	33.9
167.86795	1.6
182.02167	3.7
183.03021	3.1
186.05591	2.2
199.05807	3.4
203.06938	1.8
213.03920	1.6
213.14848	1.7
243.04822	100.0
244.05113	5.5
261.05811	6.3
272.02765	3.1
272.09268	3.0
288.02875	1.9
288.08658	1.8
298.07281	2.0
301.03067	6.9
341.06708	2.6
345.08136	3.3
424.08765	1.8
434.07779	3.5
434.16052	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	434.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89683	0.3
54.86542	0.4
56.53248	0.3
59.01384	0.9
59.25380	0.3
61.98829	100.0
63.02899	0.4
71.06322	0.7
73.02954	0.3
82.72641	0.3
94.91412	0.3
111.91190	0.3
115.26846	0.3
134.03752	1.7
135.04523	9.2
136.04857	0.6
179.03493	14.9
180.03882	0.6
209.19040	0.4
301.03165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.66516	0.4
57.03445	0.5
59.01377	1.7
61.98830	2.5
63.02392	2.9
65.00326	9.5
69.44993	1.5
69.45428	1.7
71.01408	0.5
82.17271	0.4
82.55779	0.4
83.01384	7.8
93.03461	5.6
103.30313	0.4
107.01393	16.5
108.01729	0.5
117.03466	1.6
119.05028	33.0
120.05373	0.7
121.02982	0.7
121.11402	0.4
121.92439	0.4
125.02472	3.6
133.02942	0.6
137.02420	0.9
143.05029	1.0
145.02968	4.3
149.02467	1.1
151.00372	56.1
152.00719	1.3
161.06070	1.2
165.01945	5.4
169.01456	2.7
177.01956	4.8
185.06058	2.4
187.04054	3.5
188.04453	0.5
193.01489	0.9
196.81081	0.4
199.07591	0.6
227.03455	1.0
227.07127	3.2
228.03830	0.8
229.04321	0.7
236.57158	0.4
253.05008	0.6
255.02899	1.2
256.03366	1.7
257.03641	1.8
257.44470	0.4
262.80493	0.4
269.04639	0.5
271.06107	100.0
272.06424	6.0
284.03317	1.1
285.03687	2.2
286.03992	2.3
287.04477	2.2
300.02948	2.0
301.03372	0.6
313.05560	4.5
433.11411	13.1
434.11249	1.1
443.99051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31826	0.3
55.57413	0.4
55.80470	0.4
59.01374	9.0
61.98824	4.9
67.01882	0.5
71.01378	13.2
72.99302	1.4
73.02935	1.0
75.41914	0.4
78.95903	0.5
83.01379	1.0
83.65679	0.4
85.02954	1.8
87.00873	24.5
109.02888	0.4
110.40993	0.5
112.98841	0.8
113.02435	0.7
115.00368	46.8
116.00707	0.8
140.29642	0.4
175.02460	100.0
176.02820	3.2
182.02171	0.5
183.02972	0.4
183.13969	0.6
213.14912	2.0
255.03033	0.9
271.02420	1.3
285.03784	0.7
285.88599	0.4
286.04068	0.5
287.04556	0.7
300.02811	3.1
301.03348	0.8
307.33896	0.4
371.17035	3.7
371.24460	0.7
433.07169	1.9
434.08337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95858	0.3
59.01382	2.2
59.01644	0.4
61.98829	100.0
66.92892	0.3
70.01442	1.1
70.01848	0.7
71.01373	0.4
71.69122	0.3
75.78817	0.3
78.95912	2.1
85.02962	0.4
98.19969	0.5
101.02444	0.5
119.77896	0.3
133.03018	0.4
161.02483	1.6
162.02734	0.5
227.03452	1.9
228.03827	2.7
229.04994	0.4
230.05469	0.8
255.03018	2.7
256.03342	4.5
258.04840	0.6
271.02615	0.7
284.03412	1.4
285.03760	7.0
286.04358	7.0
287.04575	0.5
300.02808	1.4
432.09592	5.1
432.23291	1.2
433.07727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.6
80.14515	0.5
83.01363	0.5
89.36442	0.5
94.06695	0.6
107.01379	1.8
108.02186	1.1
121.02952	0.9
135.00841	0.7
148.01688	1.0
151.00363	6.5
163.00348	1.8
178.99890	3.6
184.39484	0.4
199.03920	0.9
211.03996	0.9
221.43889	0.5
226.02690	1.5
227.03455	2.8
243.02977	10.3
244.03146	0.6
245.04454	1.0
254.02106	2.4
255.02963	25.2
256.03397	1.5
271.02460	55.4
272.02899	5.0
273.03958	1.0
299.01987	1.2
300.02725	100.0
301.03391	27.3
302.03937	1.3
408.20532	0.5
433.07700	61.5
434.07956	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25616	1.6
59.01364	7.2
69.35649	8.3
69.36066	4.3
83.99847	1.7
102.73573	1.6
107.01356	3.6
109.26141	1.6
119.70939	1.7
123.37195	1.7
151.00346	7.2
162.70183	1.4
169.69592	1.7
178.99886	3.7
182.19691	1.5
194.00307	1.6
226.02640	2.1
227.03433	3.1
243.02953	9.3
255.02940	22.0
256.03339	2.2
271.00211	1.3
271.02444	50.4
272.03052	5.4
300.02716	100.0
301.03406	39.8
302.03778	2.1
355.08163	5.5
433.07681	70.6
434.07986	5.4
438.07327	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32752	0.7
58.59039	0.7
59.01386	0.8
60.99010	1.0
60.99304	15.1
61.54935	0.6
69.84879	3.4
75.96717	0.7
76.43620	0.6
88.98803	100.0
89.02393	0.8
89.99131	0.9
116.92839	1.3
120.93696	0.6
128.03540	1.2
139.04051	0.8
161.02396	0.9
165.07436	0.9
175.02512	0.7
190.60413	0.7
271.59473	0.7
349.59628	0.7
405.55829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03433	1.6
59.01378	12.9
59.56292	0.9
61.98826	9.2
64.95399	0.9
71.01376	5.2
73.02915	1.4
79.01904	5.2
83.01376	5.1
85.02978	1.2
87.00863	3.7
89.02451	4.3
95.05022	1.0
99.00873	1.6
101.02449	2.9
103.00356	1.2
109.02960	2.8
111.00867	3.2
112.98732	2.6
113.02435	1.3
121.02892	1.4
123.00842	1.2
123.04483	2.1
125.02408	6.1
133.02867	1.4
135.04564	5.6
137.02440	16.3
137.06110	1.2
138.03226	50.5
139.03928	1.9
141.01981	1.6
142.99857	5.3
145.01379	1.8
149.02440	1.4
149.06038	2.2
151.00327	4.5
151.03969	3.6
152.04810	1.3
153.01917	2.4
154.99840	3.0
157.63904	1.0
159.04501	1.1
161.02425	6.3
163.00336	2.0
164.01120	1.8
165.01939	6.6
166.02707	19.5
167.03485	16.9
170.02177	22.1
173.00885	1.8
177.01953	3.4
177.05522	4.4
179.03503	7.0
181.01479	1.9
181.04990	2.8
182.02185	12.6
183.02986	11.1
184.03621	1.2
186.09196	1.1
189.85760	1.0
191.03500	2.9
192.00725	1.4
194.02185	67.3
195.02910	12.1
196.03638	1.0
205.87373	1.1
206.02350	1.4
207.02890	2.3
207.05035	1.1
208.03734	9.6
209.04477	3.3
221.04512	6.5
224.03238	1.5
238.01091	3.0
271.06171	2.9
291.05090	2.4
304.27631	0.9
309.05948	1.3
315.35071	1.2
325.03400	2.0
329.08804	1.8
335.03989	4.8
345.08191	14.2
357.08224	31.0
358.08499	2.7
371.09756	1.6
387.09348	1.1
397.24438	1.7
401.07227	100.0
401.12091	4.9
402.07370	7.7
415.08817	8.1
416.09189	1.3
433.09988	11.6
433.20819	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01378	100.0
60.01722	0.7
61.98832	2.0
64.90202	0.4
70.86516	0.8
71.01377	6.2
73.02941	1.3
76.36432	0.4
78.95899	2.0
83.01385	1.0
85.02944	1.9
87.00872	0.5
88.98806	2.3
89.02444	2.7
93.03473	0.5
93.13250	0.4
93.17339	0.4
95.01397	0.6
99.00896	0.8
101.02443	4.2
107.01427	0.9
113.02448	2.4
118.29652	0.5
119.03486	1.2
133.02959	5.0
135.04494	2.5
137.02483	0.4
144.06546	0.5
151.00290	0.8
157.06635	0.4
159.02979	0.7
159.04333	0.5
161.01161	0.7
161.02446	11.6
161.04472	3.0
163.00287	0.9
167.12724	0.4
169.06558	0.7
171.04404	0.5
173.56294	0.4
179.03496	0.5
179.05606	0.4
185.06004	0.9
187.03903	1.3
199.03918	0.8
202.79620	0.4
209.75133	0.4
211.03905	1.1
213.05447	0.6
227.03482	19.8
228.03862	1.1
229.03123	0.4
229.05048	4.5
239.03339	0.6
241.04791	0.6
251.16281	0.5
255.02974	31.5
256.03522	3.5
257.04495	2.6
284.03250	29.0
284.06406	0.6
285.04016	47.6
286.04236	2.7
345.22742	2.1
371.20587	5.0
387.23505	1.5
431.09314	25.3
431.22162	3.8
432.09528	2.5
432.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34904	0.3
57.03438	0.7
59.01378	1.9
61.98828	100.0
62.07558	0.3
64.58460	0.3
68.55473	0.3
71.01388	1.7
71.52560	0.4
73.02946	0.8
75.90711	0.3
78.95924	0.5
85.02962	0.7
87.00893	1.3
89.02422	0.4
97.93427	0.3
100.38996	0.3
101.02447	0.9
101.71079	0.3
109.02944	0.3
113.02434	0.5
115.00411	2.6
123.04500	0.6
125.02450	3.3
137.02451	0.3
138.03316	0.3
151.04005	1.0
161.02469	0.3
161.04591	0.7
167.03505	0.7
170.95389	0.3
175.02481	9.5
175.04002	0.7
196.59654	0.3
270.10794	0.5
287.05600	0.4
289.07281	0.6
294.74661	0.3
357.08472	0.5
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
50.83801	0.3
54.48874	0.3
55.89451	0.3
58.52649	0.2
59.01375	1.4
61.98830	100.0
64.67970	0.3
69.14120	2.1
69.14536	0.6
82.79802	0.2
85.80840	0.3
98.39416	0.3
107.01409	0.4
108.63201	0.3
110.62093	0.2
112.74966	0.2
119.05064	0.9
124.86366	0.3
133.22279	0.2
151.00433	1.2
157.64680	0.3
271.03250	0.5
271.06161	2.6
300.03006	0.3
345.06686	0.3
433.11682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14605	0.5
56.33572	0.4
57.03454	0.4
59.01370	2.8
61.98828	100.0
65.00323	1.1
69.16137	0.9
69.16548	2.4
71.01404	0.5
73.12849	0.3
79.93452	0.4
83.01402	0.8
94.50625	0.4
98.20741	0.7
107.01410	1.9
115.84939	0.3
119.05038	4.0
125.02441	0.6
131.99341	0.3
145.02943	0.7
151.00363	7.0
165.01984	0.5
169.01482	0.3
177.01991	0.6
185.06055	0.4
187.03999	0.8
227.03525	2.8
227.07225	0.5
228.03844	4.0
229.05099	0.5
230.05472	0.9
255.02959	4.1
256.03320	6.8
256.05759	0.6
257.04062	1.0
258.04993	0.5
271.06097	11.7
284.03192	2.5
285.03723	9.3
286.04340	10.4
287.04553	0.5
295.06213	0.4
300.02908	0.8
332.15823	0.4
432.10153	8.8
432.29788	0.5
433.11462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.49688	0.3
51.83375	0.3
70.71063	0.5
74.05603	0.2
76.96677	0.3
78.95900	51.4
96.96963	5.9
139.09874	0.2
150.98041	1.5
152.99577	100.0
153.99954	1.5
171.00626	4.0
271.81018	0.3
277.21732	0.6
431.22040	7.5
432.22247	1.0
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	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
59.49382	0.2
62.96388	0.2
69.98516	0.8
78.95901	50.5
79.60004	0.2
96.96959	6.9
98.39169	0.2
145.53224	0.2
150.98009	1.7
152.99579	100.0
153.99918	1.5
155.10887	0.3
171.00626	3.8
277.21625	0.8
315.16342	0.2
431.21942	7.1
432.22031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26379	0.4
56.02439	0.3
57.44466	0.3
59.01371	1.3
61.98824	1.0
78.95902	69.1
82.46449	0.4
88.51183	0.3
96.96955	6.5
98.19918	1.3
102.24775	0.3
133.63680	0.3
133.67749	0.4
150.98073	2.0
152.99582	100.0
153.99953	1.4
171.00642	3.7
227.03488	0.6
229.42560	0.5
255.02917	0.8
277.21741	1.2
284.03214	1.1
285.04068	1.2
291.26581	0.4
431.09753	1.3
431.22003	13.9
432.22394	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01376	100.0
60.01706	1.9
61.01828	1.0
61.87073	0.6
61.98829	16.9
71.01371	4.6
71.52374	1.0
71.52751	0.6
73.02945	1.5
74.02489	0.7
74.26785	0.5
77.64977	0.6
78.95904	3.5
82.70097	0.7
85.02931	1.4
88.98817	2.6
89.02444	1.6
93.03458	1.5
99.00851	1.0
100.22761	0.7
101.02416	3.3
107.01381	1.0
113.02437	1.6
119.03463	1.1
133.02994	1.4
134.04797	1.1
135.00903	2.0
137.00551	0.6
143.05038	0.8
145.02934	1.2
151.00398	1.6
153.01924	0.9
153.05344	0.6
159.04469	1.0
161.02452	1.6
161.04529	3.6
163.00372	2.8
169.06561	0.8
185.06052	2.0
187.04019	2.0
189.05650	0.7
195.04556	0.8
209.11841	1.4
209.14549	1.0
211.04005	3.6
213.05670	1.7
227.03490	39.3
228.03818	2.5
229.05060	9.5
239.03487	1.1
241.04929	0.9
255.02982	57.9
256.03537	6.7
257.04523	6.0
266.04019	0.8
269.04947	0.7
284.03253	52.2
285.04016	92.7
286.04352	6.9
311.05444	1.0
345.23001	0.8
371.20782	6.8
431.09756	54.5
431.22644	3.1
431.27982	1.5
432.10123	4.4
436.89844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16005	0.3
59.23997	0.3
60.99305	12.7
70.78390	0.7
70.78735	0.4
88.98799	100.0
89.99155	0.6
105.01920	0.6
173.76080	0.3
191.05501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	14.7
70.61315	0.7
70.61690	0.8
78.98396	0.3
79.57436	0.3
88.98804	100.0
89.02460	0.9
89.99130	0.9
104.10409	0.4
127.75274	0.4
140.92572	0.3
150.69235	0.4
203.06717	0.4
268.94684	0.4
300.80664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38549	0.5
59.01377	6.7
61.98827	6.3
63.52630	0.6
64.15711	0.6
65.85963	0.6
70.20318	1.7
71.01381	4.6
78.95888	2.5
83.01363	3.8
83.72519	0.6
84.95103	0.7
85.02945	1.2
87.00906	0.7
88.98788	2.1
89.02448	5.3
93.03465	0.7
95.01411	0.6
96.97012	0.6
97.02950	0.9
97.23372	0.7
101.02441	2.3
109.02964	1.0
112.13229	0.5
113.02451	1.3
119.03477	1.8
123.00950	0.8
123.04493	1.0
125.02428	0.8
134.04666	0.8
135.04544	0.9
137.02431	9.4
138.03218	0.7
139.03990	0.8
141.01978	0.7
149.02443	1.1
151.03984	0.7
152.04774	2.6
153.01978	3.0
159.85194	0.7
163.04056	0.9
165.01913	76.7
166.02327	3.2
167.03436	1.7
175.03940	1.1
177.01974	0.6
179.03505	1.3
179.05527	0.9
180.04274	3.4
181.01436	5.7
181.04990	1.9
182.02167	8.8
183.02968	8.5
184.03679	0.9
191.03479	1.7
192.04245	1.3
193.01378	1.6
193.04968	1.2
207.02986	0.9
208.03746	21.4
209.04523	8.9
219.02960	4.4
221.00925	6.4
222.01628	1.4
235.02498	4.3
236.03232	32.9
237.04016	13.0
249.03952	0.8
251.16719	0.7
255.02953	0.7
285.04095	0.8
345.08307	2.5
371.09668	1.1
381.07617	0.6
387.09290	3.6
399.09271	100.0
400.09543	8.5
431.11884	9.4
431.22784	2.1
432.12491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1343
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01324	2.6
61.98798	0.5
69.14560	3.5
71.01378	1.8
73.02905	0.7
83.01355	0.7
85.02892	1.2
89.02401	0.4
89.59382	0.3
93.03435	0.5
97.63653	0.4
98.19923	0.6
101.02400	1.2
105.03434	0.9
107.01344	0.7
107.05039	0.3
113.02413	0.5
117.03410	0.9
118.27628	0.3
123.50575	0.3
125.02401	0.5
128.03543	0.5
132.02165	1.8
133.02953	35.2
134.03671	1.1
135.00845	0.6
135.04526	13.1
135.81146	0.3
136.04834	0.5
137.02423	0.7
143.04688	0.8
159.04504	0.4
161.02429	100.0
162.02757	3.9
163.00372	0.7
179.03473	7.1
179.04968	0.5
182.02176	1.4
183.02940	1.3
185.05989	0.8
187.04022	0.6
211.04037	0.7
227.03477	11.7
228.03935	0.5
229.05064	3.2
239.03496	0.5
241.05096	0.4
255.02953	18.1
256.03540	2.1
257.04614	1.9
284.03247	16.9
284.06476	0.5
285.04010	30.7
286.04425	2.4
306.07816	0.5
323.07813	0.4
332.11868	0.3
431.13947	51.9
432.14252	5.7
444.13095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72554	0.4
56.97160	0.5
60.99010	0.9
60.99306	12.6
69.64144	2.6
69.64552	0.9
71.01358	0.6
76.35463	0.6
88.98803	100.0
89.02449	0.9
89.99100	0.7
93.50002	0.5
94.44434	0.6
122.51960	0.6
135.40166	0.5
175.02481	0.8
190.57040	0.5
259.01437	0.6
398.31424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
59.84586	0.4
60.99302	6.5
61.98818	1.1
71.51688	0.6
72.00909	10.0
78.95882	0.5
83.01392	0.4
86.02496	0.4
87.00866	0.6
88.00414	0.5
88.98803	50.7
89.02407	0.4
91.05553	0.7
96.96013	7.4
96.96959	0.7
98.95589	0.6
103.05544	0.7
115.02206	1.2
116.40810	0.3
116.80829	0.4
128.03531	0.8
135.04597	0.5
143.04587	0.7
144.41446	0.3
144.64003	0.4
147.04520	32.7
148.04811	1.2
158.02824	2.2
161.02443	2.5
164.07158	100.0
165.06305	0.5
165.07513	3.6
169.01437	1.0
170.01750	1.1
179.03400	0.5
203.03558	0.6
221.09729	0.8
272.08896	0.9
274.38669	0.3
281.57150	0.4
325.19379	0.4
338.20129	0.4
341.08725	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	431.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
60.99304	13.4
63.76354	0.7
70.25277	0.8
70.61954	2.1
72.33952	0.8
74.21374	0.7
78.65212	0.7
88.98802	100.0
133.02951	2.5
135.04503	1.1
159.07184	0.7
161.02438	16.7
172.70366	0.8
179.03467	3.2
341.08688	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	431.0979
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.57693	0.3
60.04239	0.4
62.84893	0.3
63.02405	0.4
63.21437	0.3
65.00330	0.4
67.55685	0.4
67.72882	0.4
69.33447	1.9
69.33871	0.9
70.18079	0.3
78.63528	0.4
83.01376	0.6
93.03451	1.2
98.19923	0.7
98.30376	0.4
107.01393	1.3
109.02951	0.5
117.03482	0.3
131.04878	0.5
132.02176	0.9
135.00885	1.4
143.04961	1.0
151.00362	1.4
153.01884	0.6
157.06566	0.6
159.04486	1.0
163.00375	2.0
164.01135	0.7
165.01923	0.5
167.04958	0.4
169.06612	0.5
171.04439	0.6
173.05927	0.4
183.04567	0.9
185.06070	2.1
187.04034	3.0
189.05554	0.7
192.12340	0.3
195.04570	0.5
197.05998	0.9
197.18593	0.3
199.03972	0.8
201.05450	0.7
211.03931	2.8
213.05562	1.8
223.04001	0.5
226.02586	0.4
227.03474	44.8
228.03873	3.7
229.05032	8.7
230.05360	0.7
239.03465	1.5
240.04099	0.5
241.05063	1.1
243.02953	0.5
255.02966	66.7
256.03534	10.0
257.04520	5.2
258.04886	0.6
267.02982	1.0
284.03247	57.7
285.04004	100.0
286.04385	7.0
327.05173	0.6
382.97986	0.3
431.09790	66.9
432.10129	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82065	0.4
57.03451	2.2
59.01378	100.0
60.01717	0.9
61.98835	0.6
71.01379	3.2
73.02963	1.3
75.00871	2.0
83.74474	0.4
85.02969	1.7
89.02472	0.8
90.49157	0.4
98.20653	1.1
99.00861	0.5
101.02444	2.1
113.02469	1.9
114.47324	0.4
135.02995	4.0
137.09781	0.5
145.37988	0.4
159.02988	0.7
161.04530	5.2
192.11629	1.4
207.13878	11.9
237.05640	1.7
239.07152	0.8
265.05109	1.0
267.06616	2.9
267.16199	0.6
279.06738	0.7
280.57480	0.5
293.04532	7.0
294.05380	1.6
295.06168	1.2
321.04074	2.3
323.05704	1.6
339.82272	0.5
351.05170	1.2
367.08163	1.0
383.07803	1.0
411.07407	1.2
415.13486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76479	1.3
59.01376	100.0
61.98825	1.6
70.42178	4.5
78.95927	1.7
88.55187	1.6
91.03992	2.1
98.19953	1.5
146.56143	1.4
162.49225	1.6
176.70827	1.2
191.16638	1.5
240.42760	1.4
277.21460	1.5
295.22784	14.4
388.22162	1.3
405.18027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09884	1.6
59.01368	7.3
63.85213	1.5
69.58007	4.5
69.58418	4.9
72.00915	21.3
72.99309	3.9
83.01395	1.8
88.98811	1.7
96.96013	3.4
98.19968	1.8
98.95625	2.5
115.91996	1.7
123.04478	2.8
150.37396	1.6
162.86758	1.5
167.03433	6.1
173.92380	1.6
195.08107	2.3
203.72482	1.7
208.08977	8.8
209.09709	21.6
221.09703	100.0
222.10010	5.9
225.09169	1.7
237.09169	5.7
238.09650	1.7
252.07768	2.9
253.08658	4.2
265.08658	22.5
281.08066	6.6
282.08447	2.7
282.11365	37.8
283.11542	3.2
284.07175	1.8
290.70441	1.5
309.07611	3.7
326.10291	49.6
327.10638	3.2
344.11356	44.9
344.56177	2.0
345.11517	5.2
386.12262	7.8
405.35986	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49651	0.8
57.03445	9.3
59.01379	100.0
63.32986	0.9
67.17306	0.9
68.19891	0.9
69.48227	2.1
69.48641	4.4
71.01006	1.6
71.01377	18.0
73.02943	5.8
76.10876	0.8
83.01393	1.8
85.02949	6.8
89.02422	2.7
90.36858	0.9
95.01346	1.1
98.19935	1.7
99.00881	1.9
101.02441	13.3
102.33523	1.0
113.01842	0.9
113.02464	8.3
119.03494	0.9
137.02400	1.0
137.09718	2.0
143.03456	1.5
158.15100	0.8
159.02940	2.8
161.04555	19.8
165.01912	1.8
176.68158	1.1
179.03494	1.5
183.02985	1.3
189.12726	1.3
192.11516	5.2
205.03253	0.9
207.02930	1.8
207.13887	38.8
208.14201	1.4
223.06145	1.1
227.03468	18.2
234.01649	1.9
235.02325	2.0
249.14868	1.8
255.02972	22.8
256.03519	3.1
266.04196	7.0
267.04739	1.0
267.15964	3.2
284.03259	18.4
285.03983	13.8
309.90671	1.1
313.25076	1.0
323.05637	0.9
400.48740	0.9
429.08249	25.6
429.14542	1.3
429.21155	30.2
430.08762	2.1
430.21625	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53773	0.5
59.01377	100.0
60.01702	1.0
61.98837	1.9
64.64028	0.4
69.13350	0.4
69.24505	2.0
69.24936	1.9
71.01381	9.9
72.99306	0.8
73.02958	0.7
85.02978	1.6
87.00875	0.6
89.02441	16.1
95.01392	0.5
98.19926	0.8
101.02449	5.4
113.02452	4.3
114.56462	0.5
119.03492	4.9
125.02467	0.8
137.09662	0.9
143.03505	0.9
149.04538	0.8
161.04532	1.5
171.28514	0.5
179.05624	4.0
179.07143	0.6
191.58344	0.5
204.91273	0.5
267.12149	0.5
267.16080	0.6
331.27716	0.5
429.08487	1.4
429.21393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.47695	1.1
57.03423	1.3
58.00592	1.7
59.01378	52.1
61.98820	2.0
62.09178	0.9
69.03450	0.9
69.67026	5.2
70.57175	0.8
71.01380	28.3
72.99305	2.3
73.02931	3.0
82.49726	0.8
83.01378	2.4
85.02945	7.9
87.00868	1.1
89.02441	27.3
90.88806	0.9
95.01385	2.7
99.00865	1.1
99.04505	2.0
101.02440	18.2
109.02843	1.0
113.02443	10.1
113.93050	0.8
119.03497	11.3
126.51433	0.9
127.14812	0.9
131.03532	1.2
151.00304	1.8
161.04504	1.1
163.00212	0.9
179.05547	2.0
179.10764	5.6
182.02194	6.0
183.02979	8.9
183.04414	1.4
195.02974	1.1
195.06642	5.9
209.04573	2.6
211.03941	1.5
223.06082	10.2
227.03484	62.1
228.03731	4.4
229.05121	1.5
231.13966	1.5
237.03914	1.5
238.08423	1.8
249.14987	10.7
252.07629	0.8
255.02959	75.9
256.03607	10.3
257.04324	1.3
266.07874	7.2
266.10388	1.6
267.08719	2.8
267.15967	1.4
284.03235	57.3
285.03992	39.5
286.04343	2.3
288.64395	1.2
345.08276	1.5
368.39301	0.9
429.08185	88.2
429.14172	16.7
429.21210	100.0
430.08762	9.4
430.13928	1.5
430.15915	1.4
430.21542	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	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.1
69.67366	0.5
69.67789	0.2
71.01393	0.1
84.93930	0.1
92.97291	0.1
98.13467	0.1
98.20680	0.2
99.92580	5.1
100.92681	0.3
100.93359	4.8
101.93369	0.2
106.53091	0.1
113.92625	0.1
115.92075	100.0
116.92083	4.2
116.92865	5.4
117.92557	0.2
117.93626	0.1
130.94388	0.1
132.92336	1.1
142.94464	0.2
155.95284	0.2
163.79942	0.1
172.95464	4.9
173.95598	0.2
190.45673	0.1
197.87895	0.1
204.18915	0.1
212.34796	0.1
220.96603	0.1
225.22528	0.1
255.23299	0.7
340.24783	0.1
355.15674	0.6
356.16278	0.2
371.15424	0.3
381.17480	0.9
411.18408	0.3
412.19312	0.1
429.19495	6.3
430.19730	0.8
444.39233	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03450	0.5
58.00599	0.5
59.01376	100.0
60.01712	0.7
68.22625	0.3
69.49345	1.9
71.01380	11.5
72.01703	0.4
72.99325	0.5
73.02950	0.9
83.01416	0.9
85.02952	2.4
87.00883	0.6
89.02441	17.9
89.06169	0.3
95.01398	0.6
98.20817	0.3
101.02436	7.4
110.25408	0.4
110.42029	0.3
113.02439	5.3
113.03158	0.4
117.56034	0.3
119.03503	8.4
119.04345	0.5
131.03494	1.0
137.09724	2.5
143.03487	2.1
149.04568	0.8
161.04535	2.5
161.05489	0.2
170.89738	0.3
179.05609	5.6
267.15878	0.3
410.83081	0.3
429.21213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.5
59.01377	100.0
60.01714	1.1
69.03455	0.8
69.58932	1.8
71.01376	7.9
73.02939	2.2
85.02928	2.4
87.00864	0.5
89.02419	0.8
99.00903	1.2
101.02425	4.3
105.07304	0.3
113.02429	3.3
122.91054	0.4
137.09723	1.6
139.07745	0.4
143.03532	0.5
159.03009	1.5
161.04559	10.7
161.05905	0.6
190.70662	0.4
192.11549	4.4
207.13882	28.2
208.14301	1.0
217.14240	0.4
227.03510	1.0
255.03119	1.3
267.16156	0.6
284.03430	0.8
285.04214	0.6
297.56320	0.4
300.87100	0.4
395.33789	0.4
429.08441	1.1
429.13873	0.5
443.20071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27296	0.5
59.01382	1.0
59.22659	0.5
61.98828	100.0
78.03943	0.6
98.20678	1.3
107.86081	0.5
107.89343	0.5
113.31337	0.6
126.52690	0.5
134.80676	0.6
179.95656	0.6
190.99684	0.5
277.21719	8.8
365.23178	1.2
395.34616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0824
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
59.01378	6.6
61.98810	0.5
68.24345	0.5
71.01388	2.2
72.99306	3.7
75.00870	43.5
89.02440	7.5
111.03345	0.5
117.01934	2.8
119.02533	0.6
135.02997	87.8
136.03336	1.3
139.92197	0.5
181.06682	0.8
194.34470	0.5
199.07567	0.8
209.06078	1.3
211.07710	1.3
221.06097	4.0
223.07452	1.0
225.05421	0.8
227.07063	0.6
237.05560	14.0
238.06137	2.1
239.07108	9.0
240.07581	0.7
241.05153	0.6
249.05597	2.0
251.07074	4.1
254.05859	1.7
255.06647	7.7
263.07095	0.7
265.05051	10.7
266.05429	1.2
267.06595	32.7
268.06943	2.8
278.05753	0.9
279.06635	5.6
281.04614	1.0
283.06125	0.6
291.06512	1.2
293.04556	100.0
294.05164	16.3
295.06085	14.2
296.06366	1.5
305.08084	0.6
307.06070	2.9
311.05566	2.7
320.06741	1.6
321.04028	21.7
321.07303	0.7
322.04489	1.9
323.05560	9.2
324.05637	0.7
333.03970	1.3
337.07181	1.1
349.07080	0.9
351.05093	13.4
352.05240	0.6
367.08121	6.5
383.07721	8.9
411.07169	19.1
412.07434	1.7
429.08484	0.8
448.99170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98824	0.6
69.97791	1.4
69.98187	1.0
74.91950	0.5
90.11543	0.5
91.01850	0.5
92.58248	0.5
98.20597	0.9
102.45712	0.6
107.01401	1.0
116.69368	0.5
125.02451	0.6
135.00803	0.5
137.02411	0.6
139.08771	0.5
142.21283	0.6
151.00372	2.2
152.41603	0.6
163.00410	0.5
167.05074	0.6
180.81311	0.5
183.02982	1.0
183.04512	1.9
195.06624	0.7
211.03998	2.0
223.06068	0.8
227.03471	68.3
228.03833	4.0
229.05070	1.5
239.03528	0.7
255.02969	89.7
256.03558	9.6
257.04477	1.4
266.07938	0.8
284.03238	62.2
285.03992	39.6
286.04349	2.7
327.05005	1.5
429.08249	100.0
430.08661	9.2
430.14307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12247	0.3
54.54949	0.4
56.10358	0.4
59.01373	1.4
71.01382	0.8
71.84652	0.4
82.76935	0.4
83.01358	2.5
85.02936	0.9
93.03441	0.4
123.18073	0.4
124.01654	0.6
137.01459	0.7
137.02444	8.3
138.03238	2.6
143.29489	0.4
149.09691	1.4
150.03198	1.0
151.03986	1.0
153.01962	0.5
157.01959	0.4
163.00293	0.6
163.04082	0.4
163.11209	0.8
165.01923	13.5
165.05597	0.5
165.12857	0.9
166.02710	3.9
167.03494	1.7
170.02229	1.3
171.37225	0.4
178.02690	0.8
179.03488	15.5
179.10744	0.6
180.03900	0.6
181.08597	0.5
182.02167	5.1
183.02896	1.1
191.10782	0.5
193.05029	7.9
193.08731	0.8
194.02202	0.9
194.05371	0.5
195.02979	1.8
195.10272	1.5
203.06999	0.5
207.02992	19.4
207.06610	11.4
207.09682	0.4
208.03415	1.4
208.06863	0.5
208.11020	0.4
219.10272	2.6
221.04547	5.8
221.08165	1.3
221.11824	1.0
223.09669	0.9
229.40198	0.5
235.06110	10.8
235.09659	2.4
236.06548	0.5
236.10356	1.0
237.11307	22.2
238.11603	1.8
240.09996	0.9
247.09708	0.8
249.11339	0.6
259.09857	0.6
263.09250	1.8
264.10004	74.0
265.10730	35.6
266.11197	1.8
277.10779	1.7
289.10736	0.7
344.98721	0.4
345.08255	0.6
346.08353	0.5
409.15033	1.2
427.16043	100.0
428.16360	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	427.1605
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
54.23780	0.3
54.78047	0.3
59.01372	1.3
66.14964	0.3
70.64623	0.5
70.64960	0.7
71.01357	0.5
77.44585	0.3
83.01357	2.4
84.64416	0.3
85.02944	0.6
93.03432	0.5
101.05148	0.3
111.00854	0.5
124.01658	0.9
135.04449	0.4
137.02434	8.8
138.03223	2.9
149.02473	0.4
149.09683	2.1
150.03215	1.4
151.04027	1.5
153.01915	0.5
165.01923	14.0
165.12849	0.8
166.02701	5.6
167.03470	1.8
170.02191	1.6
176.04671	0.5
176.89482	0.3
178.02728	0.5
179.03485	16.6
179.10773	0.7
180.03859	0.7
182.02197	5.0
183.02942	0.5
191.03499	0.3
191.10767	0.4
193.05031	8.6
193.08672	0.6
193.12231	0.7
194.02249	0.5
194.05443	0.4
195.02988	2.5
195.04637	0.4
195.10194	1.5
207.02985	20.7
207.06590	12.5
207.10022	0.3
208.03484	1.0
208.06870	0.8
208.11063	0.7
219.10287	2.5
220.03903	0.3
221.04568	5.5
221.08069	2.0
221.11836	1.3
222.05273	0.6
223.09715	0.5
227.81763	0.4
233.11821	0.5
235.06099	12.9
235.09581	2.2
236.06502	0.6
236.10429	0.6
237.11295	28.8
238.11609	1.2
240.10057	0.7
247.09715	1.1
249.07581	0.4
249.11298	0.9
259.09814	0.7
261.11304	0.3
263.09286	2.1
264.09991	75.6
265.10736	43.1
266.11063	2.2
277.10809	1.3
289.70084	0.3
409.14944	1.1
427.16031	100.0
428.16360	8.8
446.96790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86027	0.3
59.01381	1.8
61.98830	2.1
70.80210	0.7
71.01379	0.6
82.22853	0.3
82.95425	0.7
83.01364	1.9
85.02921	0.3
89.02431	0.5
92.85243	0.3
93.03463	0.3
101.02431	0.4
109.02926	0.4
113.02457	0.3
119.04966	0.4
135.04488	0.4
137.02434	3.6
138.03253	2.1
150.03166	0.9
150.09242	0.9
151.00296	0.3
151.04013	0.6
153.01900	1.0
161.02495	0.4
164.10768	0.5
165.01927	6.2
166.02736	2.9
167.03484	1.0
170.02158	0.8
178.02652	0.6
179.03481	7.4
180.10291	0.5
181.01401	0.3
182.02202	3.3
183.03012	1.6
191.03372	0.5
193.05052	3.5
193.08731	0.6
194.02092	0.3
195.02968	2.8
196.03737	0.5
196.09776	1.1
200.56349	0.3
207.03023	11.0
207.06618	16.1
208.03629	0.5
208.06918	0.9
210.11536	0.4
220.09822	2.1
221.04501	2.4
221.08102	0.9
222.05408	0.6
222.07704	0.9
222.11353	0.8
224.09242	0.7
229.05397	0.3
235.06114	23.8
236.06439	1.3
236.09116	1.4
238.10851	17.4
239.11205	0.8
248.09390	0.5
249.07718	1.3
250.10954	0.4
260.09134	0.9
264.08798	2.0
264.11783	0.3
265.09531	62.1
266.10275	32.5
266.13388	0.6
267.10690	2.1
278.10385	1.0
290.04626	0.3
290.10281	0.6
338.64517	0.3
345.08282	1.3
401.05124	0.3
428.15582	100.0
429.15945	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	427.1598
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
55.98168	0.2
59.01378	1.5
61.98816	0.2
69.74629	0.3
69.75018	0.6
71.01376	0.8
73.32993	0.2
75.00866	0.4
81.03482	0.2
83.01370	2.7
85.02947	0.7
87.00887	0.2
89.02454	0.6
91.01900	0.3
92.74509	0.2
93.03449	0.4
98.19865	0.3
101.02454	0.3
111.00877	0.4
111.08151	0.6
117.51020	0.2
123.00877	0.3
124.01673	0.6
125.09731	0.2
129.01993	0.3
135.04497	0.2
135.08243	0.2
137.02440	9.2
138.03229	2.6
149.09723	1.5
150.03188	1.0
151.03969	1.3
152.01176	0.3
153.01869	0.6
161.02486	0.3
163.00398	0.2
163.04012	0.3
163.11264	0.6
164.04810	0.3
165.01927	14.2
165.12851	0.7
166.02708	4.0
167.03497	2.1
167.66443	0.2
169.12288	0.4
170.02191	2.2
176.04776	0.3
177.01971	0.3
178.02719	0.7
179.03487	16.7
179.10764	0.4
180.03889	0.6
181.08644	0.4
182.02217	4.5
183.02907	0.8
187.74461	0.2
191.03574	0.5
191.07094	0.3
191.10799	0.2
192.04291	0.4
193.05040	8.4
193.06833	0.4
193.08630	1.2
193.12265	0.3
194.02255	0.4
194.05380	0.3
195.02950	3.3
195.10223	1.3
196.03621	0.5
197.11821	2.6
203.10649	0.3
207.02994	20.6
207.06607	12.2
208.03441	1.2
208.06996	0.6
208.11032	0.8
209.11819	0.4
211.13306	0.4
219.10245	2.0
220.10635	0.2
221.04536	5.4
221.07970	1.5
221.11787	1.1
222.05096	0.8
223.09708	0.9
233.11903	0.4
235.06110	12.7
235.09596	2.5
236.06528	0.6
236.10503	0.8
237.11298	23.2
238.11676	1.2
240.10013	0.9
242.98891	0.2
247.09772	1.4
248.10535	0.3
249.07643	0.6
249.11299	0.6
259.09692	1.0
261.11478	0.2
263.09225	1.8
264.10001	74.7
265.10736	33.0
266.11154	1.7
275.13025	0.2
277.10858	1.4
279.12570	0.2
289.10611	0.4
291.19757	0.3
309.20746	3.3
311.22192	0.2
351.67896	0.2
409.14874	1.3
410.62741	0.2
427.16040	100.0
428.16373	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	427.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01371	3.0
61.98850	0.7
64.91290	0.4
69.20641	4.0
71.01385	1.2
76.05082	0.4
83.01383	3.0
85.02967	0.7
85.67586	0.5
85.82928	0.4
89.02448	1.0
93.03513	0.5
99.00893	0.4
101.02458	0.7
113.02421	0.6
123.00893	0.5
137.02443	10.3
138.03239	2.9
141.02039	0.6
149.09753	1.2
150.03226	1.1
151.04005	0.9
153.01965	1.3
163.11339	0.6
165.01918	14.3
165.12836	0.9
166.02696	4.1
167.03503	2.2
170.02191	1.5
178.02814	0.5
179.01903	0.8
179.03491	16.8
179.10817	0.6
180.03903	1.1
181.01385	0.8
182.02180	6.7
183.02919	3.0
191.03412	0.6
193.05074	8.1
193.08679	0.9
194.02214	0.5
195.03003	2.3
195.10231	1.3
203.10837	0.4
205.05075	1.0
206.05333	0.8
207.02988	19.5
207.06625	12.7
208.03464	1.3
208.06903	0.7
219.10222	2.6
221.04517	6.0
221.08145	1.5
221.11836	1.3
221.15384	0.5
223.09749	1.1
233.04445	0.6
235.06160	11.0
235.09659	2.5
236.10159	0.8
237.11319	22.7
238.11653	1.2
247.09723	0.9
249.07663	0.8
259.09619	0.9
262.08466	1.4
263.09097	3.5
264.10004	72.2
265.10751	35.6
265.14191	1.1
266.11069	2.0
275.63217	0.4
277.10764	1.1
289.10706	0.9
319.12674	0.5
345.08337	2.2
346.08575	1.4
347.08777	0.6
409.14932	1.3
427.15985	100.0
428.16385	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	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81678	2.0
55.01867	5.5
59.01354	5.6
69.96188	1.7
71.01375	3.2
71.52761	2.3
71.53133	2.0
72.99281	4.0
75.00865	22.6
85.02930	6.6
89.02472	1.9
96.22093	1.9
101.02392	2.2
104.07700	1.9
118.26146	2.1
129.01958	15.1
134.06189	2.0
147.03008	30.3
165.04028	3.2
188.28094	2.3
216.43378	1.9
277.21695	100.0
278.21942	10.2
425.25409	31.6
426.25858	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	426.0218
Annotation	ADP
Peak:m/z	Relative Intensity
59.01395	0.3
60.08640	0.3
62.96414	0.5
69.20728	3.1
74.33105	0.3
78.95900	100.0
88.98795	0.4
89.02454	0.5
96.96953	2.8
98.20683	0.8
107.03605	0.5
128.03549	0.6
130.08769	0.4
134.04720	31.2
135.05067	0.5
142.05031	0.4
153.36772	0.3
158.92525	38.7
169.18517	0.3
174.98013	0.8
192.99097	0.6
211.00110	0.7
241.30588	0.3
272.95670	3.5
290.96805	0.6
328.04495	12.6
329.04718	0.8
408.01157	4.6
426.02182	34.8
427.02576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
60.99302	0.4
71.43388	0.5
71.46887	0.3
78.95901	10.8
79.95728	2.0
88.98801	4.2
89.49242	0.2
96.96011	100.0
96.96933	21.3
123.04504	2.4
125.02450	1.1
151.00380	0.3
161.02489	0.3
167.03484	13.8
167.76509	0.3
168.03786	0.6
179.41841	0.3
329.08755	4.0
394.34271	0.3
427.06534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94539	0.3
59.01371	1.6
61.98814	0.5
69.34425	2.2
71.01377	1.0
73.02948	0.3
75.00901	0.3
78.95884	0.3
83.01377	5.5
83.34196	0.3
85.02947	0.5
87.00865	0.3
89.02451	0.3
95.01365	0.4
101.03977	0.4
119.05026	1.5
123.08163	0.3
124.01652	1.3
129.01904	0.3
133.06615	0.3
135.04543	0.4
135.08136	0.4
137.02448	2.0
138.03224	2.6
141.01891	0.5
143.05002	1.2
147.08156	1.1
149.02451	0.4
150.03220	2.3
152.01157	1.7
153.01942	0.7
161.06116	0.7
161.09724	0.7
163.04005	11.7
164.04736	1.6
165.01927	11.0
166.02719	3.3
170.02138	1.4
177.05566	5.5
178.02721	2.0
179.03481	4.0
181.01500	0.3
182.02039	0.3
183.02977	1.0
187.04028	1.5
189.01955	0.4
190.02765	0.6
191.03496	11.4
191.07086	1.9
192.04245	2.2
193.08711	0.8
194.02185	0.9
201.05513	1.6
201.09203	0.4
205.05046	25.7
206.05359	1.4
206.09480	4.7
207.03021	6.3
207.04962	0.5
207.10100	0.5
208.03612	0.7
215.03511	1.4
217.08685	1.9
219.06630	3.4
219.10214	1.1
220.07082	0.3
221.04608	0.6
221.08144	0.8
229.05020	1.3
231.10159	0.4
233.04538	51.8
233.08257	2.6
234.04982	2.6
234.08925	5.0
235.09735	25.7
236.10107	1.2
245.08138	1.0
247.06088	1.9
247.09822	0.7
257.08209	1.2
261.07751	1.9
262.08441	78.6
263.09171	33.1
264.09628	1.8
275.09314	1.5
287.09308	0.6
341.12549	0.4
389.12540	0.4
407.13342	1.7
425.14502	100.0
426.14856	11.1
426.19333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98822	0.5
65.03944	0.3
65.44199	0.3
69.84633	1.3
71.01382	1.0
81.03442	0.3
83.01381	5.4
85.02946	0.8
89.02451	0.6
90.18030	0.3
92.38182	0.2
101.03947	0.4
102.84750	0.2
111.00900	0.3
113.02422	0.5
119.05030	1.7
121.02939	0.4
122.21310	0.3
124.01682	1.4
135.04498	0.4
137.02444	2.0
138.03221	2.8
139.00371	0.4
141.01921	0.5
143.05046	1.3
145.02979	0.8
146.68709	0.2
147.08179	0.9
150.03223	2.4
152.01152	1.7
153.01900	1.1
161.06088	0.7
161.09734	0.4
163.04010	11.3
164.04823	2.1
165.00537	0.6
165.01924	11.0
166.02696	3.4
167.03418	0.5
170.02211	1.0
175.04031	0.4
177.05569	4.2
177.09309	0.5
178.02722	1.9
178.06108	0.4
179.03517	4.0
180.03926	0.4
181.01407	0.8
182.02290	1.3
183.02969	1.2
187.04007	1.2
189.01903	0.6
189.05527	0.4
190.02693	0.7
191.01744	0.6
191.03493	10.4
191.07066	1.5
192.04243	2.7
193.08641	0.8
194.02196	0.5
195.02995	0.6
201.05577	1.1
201.09198	0.3
205.05046	22.6
206.05382	0.8
206.09479	4.5
207.02995	5.3
207.04942	0.4
207.10023	0.4
208.03662	0.6
215.03529	1.2
215.07179	0.3
217.08664	1.6
219.06598	3.9
219.10156	1.5
221.04410	0.4
221.08197	0.6
229.05116	2.0
231.10135	0.4
233.04535	44.6
233.07849	2.6
234.04993	2.3
234.08926	4.7
235.09731	23.9
236.10080	1.6
245.08138	1.2
247.06091	1.3
247.09877	0.4
257.08203	0.8
259.09598	0.3
261.07678	2.3
261.10291	0.3
262.08435	67.5
263.09164	30.3
264.09537	1.7
273.24570	0.3
275.09369	1.8
287.09259	0.3
305.10110	0.3
407.13443	1.7
421.61813	0.3
423.48978	0.3
425.14499	100.0
426.14862	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	425.145
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
50.33135	0.5
54.47540	0.5
59.01374	0.8
59.38412	0.5
70.27015	1.2
70.27380	1.1
71.01382	0.6
77.84286	0.6
83.01369	3.5
85.02972	0.7
108.20650	0.5
119.05019	0.9
124.01670	1.7
137.02390	0.9
138.03191	2.4
147.08113	1.2
150.03191	2.3
152.01149	1.0
153.01912	0.6
161.06059	0.7
161.09676	0.7
163.03992	8.8
164.04707	2.2
165.01898	7.6
166.02727	2.4
170.02220	1.1
177.05600	4.7
178.02682	2.1
179.03465	3.4
187.04015	0.7
187.49644	0.5
191.03491	9.9
191.07123	1.3
192.04300	1.8
193.08717	0.5
194.02170	0.8
205.05032	19.4
206.05344	1.2
206.09483	3.9
207.03014	3.8
215.03479	0.9
217.08641	1.4
219.06609	2.8
229.04994	1.7
233.04526	38.9
233.08217	2.4
234.04839	2.0
234.08847	3.4
235.09720	23.8
236.10100	1.3
245.07996	0.7
247.06178	1.2
247.09677	1.1
257.08279	0.6
261.07657	1.7
262.08429	58.2
263.09189	26.9
263.35168	0.5
264.09589	1.7
275.09232	1.1
407.13309	1.1
425.14474	100.0
426.14838	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	425.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48531	0.2
59.01371	0.8
63.00096	0.2
70.34435	0.5
70.34795	0.4
70.80173	0.2
71.01378	0.8
72.19867	0.2
79.01912	0.2
83.00868	0.3
83.01366	4.6
85.02955	0.7
87.00834	0.2
99.00895	0.2
101.02459	0.2
101.03944	0.5
119.05043	1.2
121.06573	0.2
124.01668	1.4
133.06667	0.3
135.04466	0.3
137.02429	1.5
138.03224	2.4
139.04001	0.2
139.14076	0.2
141.01923	0.3
143.04982	0.8
147.08136	1.0
150.03201	2.7
151.03891	0.3
152.01183	1.6
153.01950	0.5
161.02390	0.4
161.06078	0.7
161.09734	0.3
163.03995	10.0
164.04770	2.3
165.01917	8.7
166.02705	2.5
169.01381	0.3
170.02190	0.9
175.03958	0.2
176.04745	0.4
177.05556	3.9
178.02731	2.6
178.06139	0.2
179.03487	3.3
180.04100	0.3
181.01479	0.4
183.03058	0.4
183.83586	0.2
187.04019	1.4
189.01907	0.4
189.05583	0.3
190.02672	0.3
191.03490	10.0
191.07051	1.6
192.04263	2.5
193.08640	0.5
194.02171	0.4
195.02954	0.4
201.05536	0.9
203.03488	0.3
205.05037	22.8
206.05421	1.1
206.09454	4.7
207.02992	4.5
207.04877	0.4
207.10039	0.6
208.03496	0.7
215.03546	1.0
216.04286	0.4
217.01407	0.3
217.08701	1.5
219.02924	0.3
219.06660	3.1
219.10136	1.3
221.04532	0.4
221.08173	0.6
229.04987	1.1
233.04530	42.2
233.07857	2.5
234.04964	2.1
234.08926	4.5
235.09723	27.6
236.10080	1.5
245.08157	1.0
246.08664	0.2
247.06076	1.5
247.09746	0.5
257.08182	0.8
259.09787	0.3
261.07675	2.4
262.08426	61.9
263.09174	33.6
264.09604	2.0
273.56949	0.2
275.09244	1.4
287.09250	0.5
305.03870	0.3
407.13596	1.2
425.14490	100.0
426.14844	10.3
426.19299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56538	0.5
57.63451	0.5
59.01363	2.1
61.47026	0.4
71.01389	1.1
79.01897	0.6
83.01371	4.7
89.02426	0.8
93.03413	0.5
98.20718	1.4
101.02483	0.7
101.44967	0.4
104.60844	0.5
113.02380	0.6
117.03489	0.5
119.05019	1.7
120.06847	0.5
120.42878	0.4
124.01613	1.0
137.02417	2.1
138.03218	2.1
141.01965	0.6
143.05013	1.9
145.02977	1.4
147.08116	1.0
150.03239	2.6
152.01149	1.2
153.01956	1.1
161.02403	0.5
161.06093	0.5
163.03995	10.0
164.04712	1.9
165.01923	9.6
166.02702	3.2
169.59070	0.6
170.02229	1.4
177.05527	3.6
177.09132	0.5
178.02687	2.0
179.03488	3.7
181.01375	0.6
182.02194	1.1
183.03003	1.4
187.03978	0.9
189.01894	0.9
191.03491	9.6
191.07083	1.4
192.04230	2.1
193.08713	0.5
194.02066	0.7
201.05487	1.0
205.05034	21.3
206.05432	1.2
206.09438	5.3
207.02977	5.8
207.10225	0.7
215.03473	1.2
217.08742	1.4
219.06671	3.4
219.10219	1.5
221.04547	0.7
221.08215	0.8
227.07123	0.5
229.04974	1.3
233.04524	45.1
233.07858	2.6
234.04890	2.7
234.08960	4.9
235.09714	25.6
235.12099	1.0
236.10129	1.3
245.08252	0.7
247.06065	1.2
257.08252	0.5
261.07617	2.3
262.08432	67.9
263.09174	31.0
263.12057	1.0
264.09595	1.6
275.09244	1.3
345.08054	0.7
407.13434	1.8
425.14490	100.0
426.14865	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	425.1449
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.92440	0.7
59.01355	1.3
67.03273	0.7
69.19344	3.4
69.19762	3.9
83.01389	3.3
109.18835	0.9
109.52272	0.8
119.05035	1.4
124.01659	0.9
137.02435	1.6
138.03198	1.4
142.13481	0.8
150.03195	2.0
152.01138	1.6
158.13075	0.8
163.03999	8.6
164.04720	0.8
165.01898	7.2
166.02643	2.0
177.05556	3.4
178.02699	2.4
179.03433	2.6
191.03456	7.7
191.07132	1.3
192.04320	1.2
193.08722	0.8
205.05042	20.9
206.09425	3.8
207.02907	4.3
208.03629	0.9
215.03540	1.5
217.08611	1.4
219.06631	2.4
229.04941	1.6
233.04520	33.8
233.08087	1.3
234.04909	2.2
234.08958	4.9
235.09726	22.5
236.10078	1.3
261.07700	1.7
262.08432	49.6
263.09180	28.3
263.12045	1.2
264.09833	0.9
275.09268	1.9
289.88821	0.9
372.77365	1.0
396.69836	1.0
407.13403	1.4
408.58063	0.8
425.14496	100.0
426.14966	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	425.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98817	4.1
64.10727	0.9
71.01390	2.3
78.95889	3.7
83.01373	5.9
83.47919	1.0
85.02929	1.2
87.00873	1.3
89.02415	1.8
93.03461	1.1
98.19877	2.5
101.02473	1.0
104.57399	0.9
111.00880	1.2
113.93730	1.1
119.05038	1.2
121.02909	1.6
124.01661	1.8
133.02945	1.0
134.04715	1.6
137.02429	2.3
138.03247	2.1
143.05038	1.7
147.08128	1.2
147.70654	1.0
150.03241	2.6
153.01917	1.0
163.03987	11.3
164.04797	2.2
165.00443	1.1
165.01894	10.3
165.73343	1.0
166.02727	2.4
170.02174	1.3
177.05573	4.3
177.09195	1.8
178.02689	3.7
179.03508	4.3
182.02304	1.1
183.02953	1.4
189.05501	1.1
191.03485	10.5
191.07095	2.1
193.08586	1.0
201.05647	2.3
205.05043	23.7
206.05354	1.7
206.09462	4.4
207.02925	5.8
207.10333	1.1
215.03529	1.9
217.08601	2.1
219.06612	3.9
219.10161	1.5
221.04565	1.1
229.05087	2.0
233.04526	49.6
233.08246	3.0
234.04944	2.4
234.08885	5.4
235.09726	23.0
236.10066	2.2
244.07353	1.1
252.90558	1.1
261.07654	2.6
262.08426	69.2
263.09155	32.9
264.09491	1.8
275.09155	1.9
407.13724	1.8
425.14502	100.0
426.14850	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	57.7
61.98826	100.0
69.71873	40.5
69.72281	16.0
71.01376	47.4
73.02928	21.0
85.02967	11.3
89.02472	12.0
96.61758	11.7
101.02452	29.3
107.01382	18.6
109.02938	17.0
113.02479	15.3
120.99636	16.4
123.00886	32.9
125.02419	21.8
141.01970	11.2
145.02907	28.5
150.03195	26.9
151.00375	93.6
152.01076	15.0
161.02444	30.2
161.04558	12.7
165.05595	62.1
169.83014	10.0
175.00346	25.4
178.99844	51.3
182.02191	30.7
183.03047	72.5
208.99123	47.3
233.04483	16.7
243.06599	23.8
260.03226	13.3
261.03983	17.4
289.07120	15.1
297.00751	42.5
301.03476	19.9
308.59467	11.1
345.08188	22.8
423.09207	53.9
423.17746	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81567	0.5
55.01873	3.7
56.99813	0.5
57.03448	3.9
58.00299	0.6
58.00584	3.9
58.25024	0.4
59.01377	90.3
60.01711	0.9
61.98827	4.1
66.05162	0.5
69.03463	1.2
69.59468	2.5
71.01377	100.0
72.01707	1.4
72.99304	4.3
73.02944	21.7
75.00865	1.3
75.20028	0.5
81.03448	0.7
83.01385	8.6
84.02168	0.5
85.02945	27.0
87.00876	6.9
88.98842	0.7
89.02440	86.0
90.02791	0.8
95.01382	6.7
97.02957	2.8
98.19955	1.0
99.00886	6.1
99.04475	0.5
101.02437	79.3
102.02764	1.7
107.03473	0.8
109.02939	0.8
111.00856	1.3
113.02442	40.6
114.02729	0.9
114.83327	0.5
115.04022	0.6
116.92879	0.5
119.03494	38.5
123.00854	1.4
125.02450	6.3
129.01953	0.8
131.03497	10.0
133.02899	0.5
135.04529	0.6
143.03488	11.7
149.02557	0.5
149.04538	3.8
151.00340	2.0
159.02980	4.0
161.02376	1.4
161.04541	33.0
162.04922	0.9
165.01877	0.7
179.05598	63.2
180.05931	1.4
182.02164	1.1
183.02982	8.2
188.43271	0.5
221.06645	21.4
222.06982	0.6
245.06561	0.8
260.03247	1.2
261.13437	3.2
263.07623	0.6
268.30865	0.5
307.07745	0.6
311.10278	0.6
312.09320	0.5
327.15286	0.5
343.06702	2.1
423.09210	2.3
423.18671	25.0
424.18933	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29548	0.4
55.01878	5.3
57.03452	3.4
58.00586	1.4
59.01379	30.6
60.01714	0.5
61.98823	1.1
68.99825	0.6
69.03455	1.3
69.41666	2.9
71.01382	53.7
72.99310	2.1
73.02944	28.2
75.00858	2.2
81.03452	1.1
83.01388	12.3
83.01888	0.7
85.02950	29.6
86.00101	1.6
86.03264	0.4
87.00363	0.6
87.00863	3.7
89.02441	9.1
95.01391	3.4
97.02958	2.2
99.00880	12.3
101.02441	54.0
102.02795	0.8
104.80416	0.5
111.00881	2.0
113.02446	20.7
115.04009	1.6
117.03501	0.7
125.02446	3.4
127.11309	0.8
129.01964	1.2
129.12846	1.0
131.03497	2.9
143.03448	3.0
145.02969	1.3
149.04514	1.8
159.02966	4.0
161.04552	19.6
162.04849	0.4
162.28978	0.4
191.05690	0.9
199.13290	0.6
205.03555	0.6
233.06705	2.7
261.11285	0.7
291.18127	76.7
292.18533	4.1
293.08737	1.3
335.17041	0.5
377.61908	0.4
423.22324	100.0
424.22662	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	423.1661
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
59.01383	4.8
61.98838	1.2
63.04118	0.3
69.17237	1.7
69.17648	0.7
71.01379	2.2
71.93708	0.2
78.95936	0.3
83.01392	0.5
85.02902	0.6
89.02454	1.0
101.02454	1.0
105.03455	0.6
107.05020	0.3
109.02919	0.3
113.02446	0.6
114.63042	0.2
117.03474	1.2
119.03470	0.4
119.04971	0.3
123.04553	0.4
128.03548	0.4
131.70506	0.3
132.02185	1.8
133.02963	33.1
134.03679	1.3
135.04535	13.3
135.05338	0.2
136.04825	0.4
137.02463	0.8
139.04024	0.4
143.04611	0.3
145.02974	1.6
150.52950	0.3
161.02444	100.0
162.01526	0.5
162.02776	4.0
162.05583	0.3
168.43283	0.2
179.03503	6.6
180.03836	0.3
182.02191	0.8
183.02991	0.7
287.26794	0.3
289.07172	0.4
347.13184	0.3
363.23837	0.6
387.14462	0.5
423.16577	59.0
424.11246	0.3
424.16977	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	423.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
60.99306	14.4
61.98821	2.2
71.01408	1.2
71.52275	1.2
88.98804	100.0
94.41277	1.0
101.02554	1.2
116.92873	1.9
117.02007	1.0
120.99665	2.3
124.36407	0.9
137.02417	2.2
143.68646	0.9
145.02917	1.3
150.75769	1.0
165.01942	6.6
197.04564	2.0
306.07617	1.1
313.88046	1.1
423.09363	1.7
423.16647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.2
60.99282	0.9
61.98830	1.3
70.62807	0.7
71.01379	3.7
71.50321	0.8
71.50739	0.9
72.99260	0.8
73.02930	2.3
75.00820	1.1
78.95905	5.4
79.95729	7.4
85.02930	1.4
88.98790	2.1
89.02435	3.7
93.03472	1.0
96.96018	4.8
96.96963	12.3
99.92577	1.6
101.02441	2.7
109.02964	0.8
113.02470	1.4
115.92052	1.4
116.92861	12.7
117.01929	5.7
119.05027	73.9
120.05345	2.9
125.02403	1.1
128.03549	0.9
129.03888	1.0
133.02928	0.8
135.04509	13.1
143.04633	1.0
161.02335	1.1
163.04012	30.7
164.04353	1.3
181.05049	12.3
199.00716	28.6
200.01019	1.8
200.99594	0.9
215.00183	17.6
223.06126	1.0
242.99695	2.8
243.03494	0.9
261.00702	10.6
298.03665	0.8
343.10510	6.3
348.57559	0.9
369.17056	0.8
423.05994	100.0
424.06372	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	422.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15364	1.4
56.90380	1.4
59.01378	4.1
59.09565	1.5
61.87813	1.6
61.98830	29.9
64.85896	1.7
66.57352	1.4
71.52140	1.8
73.70251	1.6
83.01413	1.4
135.04489	3.2
145.02940	3.4
151.04016	4.7
165.01913	1.6
166.99817	1.7
167.03505	2.0
168.00603	8.0
179.03468	4.7
192.57057	1.5
195.03056	2.6
196.03754	75.6
197.04527	67.4
198.04913	4.1
227.06744	1.8
261.05457	3.7
316.08862	1.7
334.00717	2.0
359.09830	100.0
360.09958	8.6
406.83777	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	423.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.3
57.04485	1.3
59.01368	2.7
61.98825	2.1
83.01371	2.4
86.72028	1.3
101.02446	1.5
107.01421	1.5
109.02942	2.0
121.02974	2.4
121.10256	1.1
123.00892	2.0
125.00645	4.3
125.02438	54.0
130.56450	1.3
136.98512	1.2
145.02974	4.8
147.00873	3.1
147.04497	1.3
149.02412	2.2
151.00342	7.8
152.01115	3.4
153.00133	17.6
155.01711	3.9
161.02469	2.2
165.00157	3.7
169.02948	2.5
173.02432	9.5
175.00320	7.4
175.03923	11.7
176.01042	1.9
178.99835	3.6
179.01508	1.3
180.99637	41.1
181.01260	2.1
182.00069	2.4
182.02113	2.5
183.04518	1.8
187.03976	6.9
190.98100	1.8
192.99567	1.3
197.02449	3.5
198.03197	3.0
199.03981	3.5
203.01646	3.7
206.00385	1.7
207.01187	32.9
207.03159	1.8
208.99123	47.1
209.99547	1.4
211.04030	8.2
212.04691	4.6
213.05389	1.2
215.03487	9.0
216.04202	10.4
217.05048	2.6
221.02702	2.4
227.03584	2.8
231.01169	27.1
232.99190	2.8
239.03462	3.9
240.04243	8.6
241.05016	7.6
242.02162	2.7
243.06616	2.2
243.47548	1.3
245.02617	1.8
249.02219	26.0
255.00749	2.3
255.03333	7.6
260.93973	1.4
268.58264	1.4
273.02237	17.7
274.02444	1.9
275.00031	3.0
283.02478	35.4
284.03006	5.0
285.04031	38.9
286.04395	3.3
295.02701	2.2
296.86435	1.3
297.00797	2.6
299.00119	3.7
317.01205	83.8
318.01486	4.5
335.02301	2.4
341.03906	1.4
405.02829	100.0
406.02975	8.3
423.03790	4.8
423.08789	1.6
423.18420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21327	1.0
50.46519	0.9
50.94307	1.1
52.16037	1.1
61.98805	1.3
66.47382	1.1
69.90029	1.0
71.28220	1.0
80.91667	3.6
80.96519	1.7
84.55596	1.1
91.40655	1.2
98.20674	2.5
104.95348	1.0
110.65936	1.2
126.89715	1.0
163.11276	100.0
164.11562	4.5
226.77931	1.1
339.23257	71.2
340.23630	5.8
408.25125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.7
58.02970	1.4
59.01378	14.1
61.98829	19.3
63.02384	1.3
65.00322	1.5
71.01365	3.9
71.05009	1.4
71.51817	2.0
73.02957	1.3
74.02470	4.1
81.03468	1.5
83.01369	2.8
85.02941	1.4
86.02441	2.0
87.05634	1.3
89.02454	2.2
95.01410	2.3
99.05637	5.0
103.00321	1.6
105.29764	1.2
107.01389	1.5
109.02948	3.7
113.02446	2.0
115.00383	1.7
117.03445	1.4
120.01241	1.8
121.02938	5.0
123.00862	3.3
124.01640	2.5
125.00734	6.7
125.02441	93.0
126.02761	2.7
128.03528	12.6
133.02919	3.5
135.04536	9.5
143.04619	17.3
143.07124	11.8
144.07394	2.3
145.02928	14.7
146.04507	1.5
146.08203	2.4
147.00905	3.3
147.04559	2.0
149.02396	4.1
151.00368	13.1
152.01138	4.1
153.00150	19.9
153.01485	1.6
153.01904	1.8
154.98042	1.4
155.01712	3.7
160.00684	4.3
161.02428	15.8
162.05624	1.2
162.75566	1.2
162.98541	1.3
164.98917	1.2
165.00130	5.1
168.82855	1.2
169.02928	2.0
173.02469	8.3
174.03131	2.7
175.00340	10.9
175.02568	1.4
175.03964	5.3
176.01115	1.3
178.99913	5.9
179.01389	1.5
179.03430	5.5
179.04826	2.5
180.99641	56.7
181.99979	2.0
183.04425	2.1
187.03999	7.4
190.98038	1.6
192.99632	3.4
197.02397	3.5
198.03270	2.5
199.03949	2.3
201.11229	3.5
203.01675	5.4
203.03401	2.0
205.05025	2.9
207.01184	35.7
208.01530	1.4
208.99112	89.7
209.99397	3.0
210.08820	2.6
211.03981	7.0
212.04674	2.7
213.05472	1.8
215.03482	9.3
216.04263	9.3
221.02695	1.6
227.03452	3.4
231.01192	28.2
232.01485	2.3
232.04224	1.9
232.99130	2.8
234.02271	3.3
239.03403	5.0
240.04213	9.7
241.04939	3.7
242.02165	1.8
243.06569	4.7
245.02769	3.6
249.02228	28.6
250.02545	1.8
254.07774	2.3
255.00681	2.3
255.03232	7.8
256.03830	2.7
257.04480	1.4
260.03159	2.5
260.06302	1.9
260.09143	1.4
261.13397	2.2
271.09866	2.1
272.08960	7.6
273.02283	19.4
274.02393	1.6
274.05344	1.9
275.00110	4.3
277.12177	2.5
278.01349	1.5
283.02469	31.5
284.03052	6.6
285.03967	16.7
286.04565	1.6
288.06537	3.5
289.01575	3.0
298.05573	2.5
299.00177	5.2
306.07666	30.0
317.01212	100.0
318.01428	8.8
323.07700	6.0
335.02301	4.3
342.04349	20.4
343.04752	2.8
360.05365	5.0
404.04416	87.1
405.04977	6.6
422.05341	3.2
422.16739	7.8
423.09079	5.2
423.16226	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90953	21.1
59.01366	60.5
62.31252	18.5
62.72347	16.3
67.35546	19.1
71.51641	28.8
74.45510	18.0
84.35833	18.2
89.09963	19.1
91.52895	18.5
96.95994	43.3
98.33335	18.9
101.02486	21.0
110.02322	18.4
110.83883	19.3
111.57171	18.6
125.02415	20.8
126.49653	19.5
345.01724	22.0
357.22006	25.8
358.32275	21.2
414.16043	19.8
421.16312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24983	0.1
59.01367	0.8
61.98814	0.6
65.03952	0.5
66.34888	0.1
68.79441	0.1
69.48181	0.5
69.48589	0.3
69.94282	0.1
71.01373	0.3
85.02945	0.2
93.03454	43.7
94.03782	1.1
98.19948	0.3
101.02448	0.2
102.77331	0.2
109.02943	2.0
121.02945	2.3
135.04485	0.2
137.02440	100.0
138.02766	3.8
139.03998	0.9
148.18977	0.1
161.04556	0.2
176.30539	0.1
197.06059	0.1
215.07089	2.1
259.06091	2.5
265.14960	0.1
283.08188	0.6
299.07938	0.2
385.12747	0.2
421.11395	2.8
421.19421	0.2
422.11798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
58.48041	4.5
59.01376	100.0
61.98833	22.2
71.01380	24.9
71.53001	8.2
74.02479	10.4
83.01340	6.1
85.02958	9.8
87.00877	7.4
88.98812	21.1
89.02428	14.3
90.99220	7.5
93.03455	9.1
96.04552	5.5
101.02434	14.1
113.02429	15.7
119.03474	5.0
123.04439	5.1
128.03471	5.0
137.02411	6.7
137.09717	5.3
138.78166	4.3
143.04630	6.3
145.03015	5.6
155.08223	4.7
155.10750	30.8
161.02441	9.2
161.04590	9.5
163.03946	6.6
165.06635	5.8
167.03430	6.6
171.10207	4.7
179.05573	9.5
181.08475	4.2
199.09737	14.1
217.10826	21.9
225.05188	12.0
241.10948	5.1
253.04630	31.3
259.11874	41.3
268.05563	4.9
271.05695	6.8
272.08994	5.0
281.06628	26.9
287.03345	6.8
301.12827	9.7
305.04315	10.8
306.07681	8.2
349.29428	4.7
379.23022	8.6
403.11627	13.0
421.16248	53.3
421.20111	4.0
421.25250	24.8
422.16394	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23444	0.4
59.01380	1.0
60.99303	13.9
66.61820	0.5
69.77357	2.0
88.98803	100.0
89.99166	0.6
93.36722	0.4
96.96032	0.7
101.02413	0.5
107.14396	0.5
113.52041	0.6
125.02447	5.2
128.03595	0.5
134.55142	0.5
142.17557	0.5
143.04604	0.8
169.01416	11.0
240.09532	0.4
306.07672	0.9
307.07977	1.2
331.06711	4.5
333.98557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
59.30793	0.3
61.98833	0.4
68.99809	0.6
69.03463	0.4
69.19833	0.8
69.20234	2.7
71.01385	0.7
81.03448	2.3
83.01359	0.5
85.02939	0.4
91.06401	0.3
93.03434	0.4
95.01381	3.6
97.02948	0.5
99.00851	0.4
101.02428	0.6
105.03436	0.7
107.01404	2.1
109.02957	1.1
111.00829	0.6
113.02466	0.4
121.02941	1.9
123.00890	3.5
124.01671	1.1
125.02441	7.5
129.81464	0.4
133.02942	0.7
135.00816	0.5
135.04533	0.4
136.01662	0.6
137.02464	1.8
141.01892	0.7
147.00829	0.4
149.02425	1.0
149.81889	0.4
149.99577	66.2
151.00377	11.3
151.03966	0.5
152.01033	0.4
161.02472	0.5
163.00400	0.4
163.03976	0.5
165.01912	1.8
169.01364	0.7
177.01886	1.2
193.01462	1.9
296.54816	0.4
313.05624	100.0
314.05957	6.7
331.06461	0.5
421.11218	1.0
421.24048	0.4
436.34561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1139
Annotation	Amburoside A
Peak:m/z	Relative Intensity
59.01383	5.3
59.61011	0.6
61.98829	2.3
63.75690	0.6
71.01375	2.8
81.37119	0.6
85.02945	1.5
89.02427	1.1
93.03476	0.7
101.02444	1.5
108.02183	5.8
109.02951	51.4
110.03307	1.3
123.00904	1.0
138.05600	1.1
151.03998	1.1
152.01143	17.9
153.01935	100.0
154.02272	2.3
161.54866	0.6
162.00604	0.7
207.38538	0.7
215.07164	8.2
259.06097	25.8
259.08786	1.4
260.06406	2.1
282.06946	0.8
289.07693	0.8
315.07202	74.1
315.95346	0.8
316.07446	4.5
421.11371	11.1
421.20328	1.5
421.25012	1.4
422.11902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88267	0.9
59.01379	13.6
59.26629	0.9
60.08192	0.8
60.99300	10.2
61.98822	2.7
69.38967	5.5
71.01386	7.7
72.99287	1.1
73.02917	1.0
77.71146	0.9
78.91895	2.2
78.95876	2.3
83.01387	1.0
85.02931	1.1
87.00877	1.0
88.98806	54.2
89.02437	7.0
89.99116	1.2
95.01381	1.3
96.96071	1.2
96.96936	2.2
101.02437	4.5
107.01361	1.4
111.00853	1.0
113.02423	2.7
119.03468	2.5
123.00863	10.0
125.02439	14.9
134.79802	1.0
139.00354	2.4
139.03979	1.0
139.21133	0.9
141.01974	1.2
147.55028	0.8
151.00349	14.3
152.93275	0.9
168.00652	1.6
169.01414	33.9
170.01703	1.1
191.01942	1.4
193.01503	1.3
209.99719	1.1
211.02422	9.9
241.01155	1.1
271.04587	5.9
274.69260	0.9
331.06683	100.0
332.07028	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	420.2752
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
52.89449	0.5
59.01381	0.8
61.98838	1.0
63.13754	0.5
71.51920	0.5
74.18065	0.4
74.44177	0.5
75.27085	0.4
104.88723	0.5
121.02953	100.0
122.03310	3.5
127.02351	0.5
201.84666	0.5
383.36316	0.5
420.27518	65.7
421.27887	7.7
433.30145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.2
61.98829	67.2
65.57433	2.0
69.28582	9.4
69.29003	6.7
71.01372	3.4
72.99310	2.6
75.00859	7.3
80.05037	3.3
82.06606	2.3
85.02910	3.0
89.02433	4.6
98.06118	3.9
101.02417	4.7
119.07703	1.9
123.03253	2.3
124.04027	2.8
125.01166	9.9
126.05607	3.1
135.02991	39.9
153.01901	2.8
164.10823	2.5
165.07924	8.1
166.08731	10.2
181.01363	4.8
182.02156	3.8
190.12241	3.5
197.11862	2.2
206.99892	2.0
208.13347	3.2
213.05501	5.7
214.06378	3.4
215.07109	6.7
224.12892	3.4
225.55295	2.2
227.03450	3.9
230.05757	8.0
241.04935	3.4
245.08223	11.0
255.06487	3.1
257.08194	44.6
258.08344	3.7
269.04532	8.3
270.05286	33.0
271.06024	5.4
280.33441	2.1
285.07666	14.2
296.11377	100.0
297.11783	6.2
299.05713	2.3
299.26611	1.9
301.07162	7.5
331.08209	2.0
345.08118	2.9
356.13464	40.1
357.13879	2.9
419.09564	18.4
419.22275	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	419.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01048	47.1
59.01357	61.1
71.01369	79.1
71.52137	51.9
83.60008	53.3
99.00842	88.4
181.01294	50.7
182.18822	51.3
197.44914	51.8
281.09140	73.9
412.89789	54.1
419.10696	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	420.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.0
59.01360	0.9
66.03487	0.9
70.51807	1.6
70.52165	2.3
72.00892	0.8
74.02470	13.5
75.23363	0.8
82.02992	2.3
86.02464	6.3
86.99084	1.1
87.05655	4.4
88.98773	1.8
97.04078	2.4
98.20591	0.8
99.05039	1.1
99.05636	13.9
99.99811	1.0
101.07198	2.6
102.05600	2.4
102.28766	0.9
107.06144	1.1
109.04067	1.7
109.07728	0.8
109.84945	0.8
112.04024	2.4
116.01737	1.5
123.05635	0.9
124.03965	0.9
127.05104	2.5
128.02588	1.8
128.03540	36.8
129.03824	2.6
131.04591	1.1
135.05614	4.7
140.03741	1.0
141.06659	2.6
142.10779	0.8
143.04619	55.5
144.04877	1.1
145.06152	2.1
146.04607	4.5
147.04900	0.9
153.06653	4.0
159.96912	1.1
160.00734	11.1
166.09793	1.5
167.04549	2.9
167.08237	3.1
170.03314	1.2
177.03381	5.6
179.04619	11.3
181.06168	0.8
184.10863	1.5
185.05656	2.0
192.07733	1.1
197.05598	2.7
210.08870	9.4
254.07790	12.5
272.08871	21.4
273.09238	1.4
280.31082	0.9
288.06589	8.5
304.06021	1.3
306.07635	100.0
307.07965	6.0
354.54843	0.8
398.88773	0.8
410.17929	0.9
420.14633	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	420.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
61.98825	100.0
69.03452	0.2
71.01379	1.8
71.41202	0.3
73.02943	0.3
74.02470	0.3
76.82841	0.2
85.02953	0.6
85.06629	0.3
87.00874	0.3
88.98825	0.3
89.02427	1.1
99.00887	0.3
101.02410	1.3
102.66660	0.2
104.75920	0.2
109.02956	0.3
113.02430	0.5
119.03493	0.7
128.03566	0.4
141.49632	0.2
143.04625	0.3
155.10791	0.3
161.04610	0.3
171.13947	0.3
215.12889	0.8
241.05179	0.5
251.45020	0.2
253.04652	0.6
258.01523	0.4
271.05676	0.2
272.08890	0.2
316.77689	0.2
379.23489	0.3
403.11887	0.3
421.15707	0.5
421.20590	6.2
441.21692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.2
55.01884	1.6
57.03436	2.1
59.01379	45.0
61.98830	13.2
69.30054	10.7
71.01379	40.2
71.01774	1.4
72.99309	5.3
73.02953	7.5
73.96104	1.1
76.90642	1.2
79.01878	6.9
83.01375	8.4
85.02944	14.6
86.03325	1.1
87.00883	5.2
88.98801	2.6
89.02442	23.5
95.01374	3.5
96.96023	1.6
97.02946	1.9
98.19912	2.1
99.00878	2.5
101.02442	25.2
107.84132	1.2
109.02940	3.0
111.00842	1.9
113.02447	17.5
119.03500	11.3
121.02922	1.6
123.04542	2.2
125.02451	3.8
128.03587	2.1
129.01950	1.5
131.03549	1.5
136.70641	1.2
137.02441	12.8
138.03227	61.2
139.00412	1.3
139.03996	2.9
141.01913	2.6
143.03491	3.0
143.04665	1.8
149.02429	1.8
151.00352	3.1
151.03992	3.2
152.01129	2.4
153.01942	4.3
159.03044	1.9
161.04536	8.6
163.91118	1.4
164.04803	1.3
165.01883	7.7
166.02699	20.8
167.03497	23.3
168.03973	1.2
169.06264	1.2
170.00874	2.3
170.02219	30.6
177.01904	4.9
179.05626	4.5
181.01431	3.7
182.02222	70.0
183.02989	68.0
191.03534	2.3
194.02205	68.1
195.02948	14.5
207.03041	1.8
207.04993	2.2
209.04457	6.6
210.01666	1.4
238.01218	4.8
257.10321	6.9
329.08871	2.1
345.08246	99.5
346.08472	7.2
357.08218	30.6
358.08298	3.0
401.07220	100.0
402.07416	8.5
419.08286	23.9
419.15414	6.3
420.08893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37782	0.9
59.01370	6.6
61.98836	5.3
67.01883	2.5
71.01437	4.9
71.01761	1.5
72.99288	2.0
73.74608	0.9
75.00869	15.1
83.01374	1.2
87.00855	1.7
89.02429	3.2
92.38335	0.9
99.00888	1.6
101.02429	2.7
105.01988	1.0
108.00694	0.8
117.01880	1.4
129.01945	3.5
135.02994	66.7
142.99847	1.2
152.99590	0.9
171.08173	1.9
172.05272	1.2
173.00882	1.8
173.06050	4.2
185.06082	1.3
186.06836	1.4
187.03918	1.1
187.07668	2.2
189.05536	2.8
201.05531	2.2
206.99693	1.2
213.05548	12.0
213.08971	1.3
214.06346	8.4
215.03513	3.4
215.07104	16.9
216.07414	1.1
217.04996	2.6
227.03445	5.6
228.03990	1.3
229.08722	1.3
230.05812	21.7
231.06262	1.9
239.07176	1.7
241.04982	9.3
242.05641	2.1
243.06583	3.2
244.07312	2.2
245.08160	27.2
246.08499	3.1
255.06683	7.7
256.03671	2.3
256.07208	1.6
257.08179	100.0
258.08487	6.4
269.04584	12.2
270.05316	55.2
271.05957	8.2
272.06631	1.4
273.07596	3.1
285.07651	27.8
286.08020	1.9
296.11505	1.5
299.05655	6.2
299.08591	1.4
301.07172	15.3
302.07339	1.2
303.08582	1.2
315.08679	2.2
327.08798	1.7
330.66537	0.9
331.08084	2.2
345.09692	1.0
359.07770	2.2
375.10721	2.8
391.10300	3.5
419.09769	47.8
420.10129	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	419.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	15.2
62.68869	0.4
69.33507	0.4
71.44376	0.8
78.60686	0.5
79.44659	0.4
88.98803	100.0
89.99127	1.2
90.87139	0.5
91.19704	0.4
110.39563	0.6
164.64743	0.4
167.03481	1.7
179.97412	0.4
237.18733	0.5
278.81802	0.4
290.45734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
60.99305	13.2
61.98821	3.4
69.62666	1.0
69.63079	1.3
71.01381	0.9
71.19362	0.4
73.02926	0.5
85.02946	0.5
88.98803	100.0
89.02432	0.9
89.99137	1.0
96.95997	1.6
97.27478	0.4
109.02938	2.1
113.49379	0.4
119.56131	0.4
123.04527	2.0
125.02454	0.6
127.05093	0.4
128.03517	1.0
131.00114	0.4
134.03838	0.4
137.02383	0.5
153.01978	0.6
165.05562	0.6
167.03496	3.5
177.01904	0.8
181.01419	0.6
182.02208	2.7
183.02983	0.6
183.06654	0.5
191.03511	0.7
236.05495	0.7
241.07172	1.0
269.08276	0.5
287.05341	0.5
299.10440	0.4
302.02258	0.4
321.09528	0.4
329.08752	1.6
333.00732	0.5
364.07104	0.4
401.12476	0.9
419.10364	1.3
419.15344	1.3
419.23172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85658	1.0
58.03841	1.0
59.01377	100.0
59.54981	0.8
60.01707	1.0
69.41571	2.5
69.41994	4.2
71.35968	1.0
94.95702	1.0
156.02306	1.1
163.78470	1.0
195.37119	1.0
248.49429	1.0
289.05264	2.3
417.20972	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01373	2.9
61.98828	100.0
66.73026	0.6
71.01392	1.2
83.01378	0.9
85.02924	0.6
87.00879	1.0
93.03457	1.0
99.00889	0.7
101.79061	0.6
104.70485	0.6
106.06599	6.2
109.02954	0.8
111.00898	1.2
112.98822	4.6
113.76218	0.7
117.03479	0.5
119.05034	2.4
123.00853	1.0
124.37967	0.6
133.06595	1.9
137.02461	1.2
139.00458	0.7
140.01233	0.9
141.01945	7.0
142.99864	2.8
145.01436	1.0
145.02939	2.8
147.04536	1.0
150.05589	6.9
150.06653	0.6
151.00385	1.1
153.02028	1.0
154.99844	1.4
161.06097	6.0
163.04060	1.8
164.07202	1.4
173.00931	1.0
181.01474	1.9
182.02225	9.1
183.02979	7.7
187.18022	0.6
190.02226	0.9
192.06621	0.8
194.04597	1.3
205.05035	10.9
212.98650	1.0
215.03622	0.8
217.05051	1.0
244.03847	1.9
245.04555	2.4
246.30885	0.7
257.04681	0.8
275.05692	1.8
291.05191	2.4
303.07135	1.4
308.62509	0.5
319.04654	2.9
323.90775	0.6
327.07251	0.8
345.08246	7.2
356.09900	4.5
407.10052	2.5
408.10242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
61.98830	100.0
63.48341	0.3
63.99260	0.3
70.52652	0.5
70.53018	0.5
71.01389	1.7
71.49609	0.2
73.02962	0.5
74.02476	0.3
75.00864	0.4
78.95921	0.3
85.02950	0.3
87.49400	0.2
88.98804	0.5
89.02457	0.4
96.96014	1.2
96.96938	0.3
98.19882	0.4
99.00823	0.3
101.02451	0.8
108.30910	0.2
109.02942	0.5
111.42909	0.3
113.02457	0.7
115.00383	0.7
123.04481	0.3
125.02538	0.4
127.05220	0.5
128.03548	1.5
130.78203	0.3
139.07646	0.4
143.04605	0.6
157.06203	0.7
161.04575	0.7
174.02318	0.3
201.13202	0.3
212.09303	0.6
214.03830	0.3
239.28714	0.3
254.08006	0.3
256.12039	0.6
286.10385	0.5
320.09338	1.4
321.09952	0.3
342.08362	0.3
359.17319	0.4
401.12573	1.0
418.14899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69833	0.4
59.01376	2.3
59.13286	0.4
61.98830	100.0
64.31973	0.5
69.60645	2.8
71.01381	1.1
73.02954	0.5
79.92375	0.4
85.02937	0.5
89.02446	0.6
94.72493	0.4
99.00869	0.5
101.02445	0.8
111.37659	0.5
113.02476	0.5
128.03543	0.6
157.55318	0.4
161.04588	1.2
165.01945	1.4
166.02301	1.5
169.03247	0.6
175.04028	0.7
182.02133	2.3
183.02873	2.1
184.03375	1.7
208.03778	0.6
208.99469	0.5
209.04048	0.6
211.02505	0.9
212.02899	1.0
222.01302	0.5
236.03276	0.7
237.03688	1.0
256.39270	0.4
346.08731	2.2
400.09726	2.5
414.46222	0.5
418.10727	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	418.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94799	0.6
59.01369	2.6
61.98833	4.9
69.42957	1.8
69.43381	2.1
70.90898	0.6
71.01373	2.1
76.59924	0.6
79.01888	3.2
83.01379	2.3
85.02950	0.8
87.00884	0.8
89.02425	1.3
94.68229	0.6
97.02922	0.9
101.02437	2.0
109.02962	1.6
113.02448	0.9
119.03495	0.8
123.00867	0.8
123.04513	1.2
125.02436	2.3
128.03563	5.2
128.04494	0.9
128.90123	0.6
129.01921	1.0
137.02432	5.9
138.03224	32.4
139.03844	1.2
141.01926	0.8
149.02382	0.8
151.00349	2.3
151.04028	0.8
165.01942	1.7
166.02710	13.6
167.03479	17.3
168.03836	0.9
170.02196	13.9
177.01920	1.1
179.03484	0.9
183.02896	0.8
193.79584	0.6
194.02196	44.3
195.02930	13.8
207.02953	1.0
221.04486	0.7
226.01234	0.9
255.07487	0.6
256.08200	0.6
257.10254	1.1
289.07132	1.3
293.60745	0.6
301.06976	0.7
325.92844	0.6
329.08759	1.3
357.08252	100.0
358.08588	7.0
418.13647	8.3
419.14505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25034	1.5
57.03447	1.6
59.01383	8.4
61.98827	5.7
71.01378	4.0
71.52653	2.6
72.48750	1.4
72.99312	1.9
75.00874	1.6
78.95905	2.4
83.01350	1.3
85.47382	1.2
87.00913	1.6
87.61813	1.5
89.02428	1.9
99.00881	3.3
111.00916	2.2
112.98780	4.2
137.02435	14.7
142.99855	8.3
153.05576	2.0
165.01923	20.8
166.06300	4.2
170.02068	1.5
173.00871	4.9
174.01668	12.1
179.03473	12.9
182.02229	2.0
193.05038	2.0
195.06619	20.3
198.05328	3.3
207.03027	14.4
211.13390	5.1
216.48819	1.5
222.05316	73.9
223.06084	34.2
224.06310	1.7
227.03479	18.6
228.03967	1.9
239.23712	1.5
255.02968	26.3
255.05635	2.3
255.06625	1.9
256.03571	3.5
284.03244	23.3
285.03958	4.0
307.11765	3.4
367.13934	17.5
368.14044	2.0
385.11362	100.0
386.11731	8.9
417.08273	23.6
418.08582	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55647	0.5
55.01872	1.4
57.03442	2.0
59.01376	100.0
60.01709	1.8
61.01803	0.6
61.98837	1.8
66.24831	0.7
69.03436	0.8
69.16187	6.1
71.01378	34.5
72.01715	0.7
72.99297	1.2
73.02941	9.1
75.00884	0.5
80.35067	0.5
81.04562	0.8
83.01380	3.8
85.02952	12.9
87.00892	1.1
89.02443	10.4
90.02792	0.6
91.02883	0.8
95.01402	1.9
97.02964	1.0
99.00870	6.3
101.02435	24.7
102.02773	1.2
111.08152	1.0
113.02443	15.3
119.03522	2.3
119.05083	0.6
121.02973	0.6
125.02538	1.3
125.03592	5.0
127.05137	7.2
128.03532	14.1
129.02010	0.6
131.03508	1.2
139.07648	14.9
141.01921	0.8
143.03532	2.5
145.03055	1.2
145.06252	1.7
149.04582	1.8
151.05031	0.8
151.76373	0.6
153.01909	0.9
157.06175	2.0
157.11009	0.7
159.03041	4.2
159.07794	1.1
161.04544	45.8
165.02005	1.2
165.09207	1.1
179.05704	1.1
181.01373	0.8
182.02173	6.5
183.02959	5.0
195.10213	3.1
197.62071	0.6
199.03735	0.6
205.03600	0.9
210.01651	0.9
210.08891	1.8
221.67244	0.5
286.10553	2.3
320.09158	10.2
327.07330	0.7
345.08209	3.9
357.15509	29.8
358.16171	2.4
373.07874	1.2
387.10098	0.6
417.09399	1.2
417.17581	2.2
425.14978	0.8
435.43732	0.7
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
59.01381	3.2
61.98816	1.9
70.71700	0.6
70.72031	1.5
71.01375	2.0
74.72006	0.6
75.00854	1.3
76.11698	0.6
78.95896	1.6
80.96540	0.6
83.01382	2.5
85.02924	1.0
87.00851	1.0
88.86726	0.6
89.02470	1.0
99.00871	1.4
101.02429	1.1
105.05746	0.6
106.42033	0.6
111.04454	0.6
112.98772	1.6
125.02416	0.7
137.01503	0.5
137.02431	14.3
139.03973	0.7
142.99890	3.0
151.03998	1.3
151.07678	0.9
153.05553	1.2
162.51210	0.6
163.03983	1.0
165.01904	25.2
165.05594	0.9
166.02670	2.5
166.06308	3.6
173.00845	1.8
174.01712	4.2
177.05527	2.3
179.03490	12.0
179.07123	2.0
181.05049	0.8
182.02182	1.2
183.02957	0.8
193.05048	3.1
194.05797	2.3
195.06615	21.5
196.06946	1.1
198.05292	2.4
207.02985	16.9
207.04941	0.7
208.03314	0.7
211.13354	3.0
221.04494	2.3
222.05313	72.7
223.06085	32.5
223.08345	0.8
224.06412	1.5
227.03459	5.5
235.06053	0.9
255.02950	6.7
255.06572	3.1
256.03537	0.8
267.12137	0.8
284.03229	7.8
285.03882	2.1
307.11884	0.8
311.10306	1.5
349.13187	0.8
367.13925	5.0
368.14249	0.7
384.62039	0.6
385.11356	100.0
386.11728	9.1
389.51550	0.6
411.41736	0.7
417.08191	8.3
417.13278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58585	0.6
54.98336	0.7
55.01884	1.1
55.29386	0.7
57.03450	1.1
58.00599	1.1
59.01376	100.0
60.01736	0.8
61.98825	19.4
69.13805	1.8
69.14217	5.8
71.01377	31.5
72.99314	1.1
73.02945	4.1
75.00870	1.0
83.01398	3.0
85.02956	9.2
87.00874	2.0
89.02441	29.5
95.01410	2.4
96.96027	1.5
99.00896	1.6
101.02435	18.1
113.02438	14.7
113.03168	1.1
119.03490	12.7
123.04519	0.8
125.02435	1.9
127.05095	1.2
128.03560	2.3
131.03529	1.6
143.03523	2.7
149.04561	1.7
159.02992	1.9
161.04538	26.2
165.13353	0.7
167.00296	0.7
167.01680	0.8
167.03442	2.0
177.09169	4.7
179.05602	8.0
181.01382	0.8
182.02164	6.2
183.03020	3.2
193.01395	0.8
194.50185	0.7
194.75867	0.6
195.02991	2.4
195.10301	2.8
196.03772	1.4
203.03168	0.6
210.09093	0.6
211.84663	0.7
237.04036	1.0
254.04346	4.1
255.05164	2.2
255.12506	0.9
320.09271	1.1
357.15506	37.2
358.16058	3.0
417.10565	9.9
417.18039	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	417.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37064	1.5
59.01381	3.1
61.98827	57.0
66.66901	1.5
69.18032	13.4
71.01382	2.1
83.01387	2.6
96.86720	2.2
96.96021	8.3
96.96912	2.3
98.19870	3.6
109.02944	2.0
111.00861	2.8
119.03482	1.6
135.04500	4.7
137.02432	6.1
139.00301	2.3
139.04022	2.4
141.01912	4.0
153.01927	4.9
165.01926	9.0
165.99046	3.9
167.03485	2.2
177.02000	1.7
179.03419	1.8
181.01433	5.9
182.02200	100.0
183.02969	93.0
184.03284	3.6
193.01343	2.1
293.13712	1.8
345.08243	90.6
346.08502	7.6
399.09247	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	417.0825
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
56.28212	0.2
69.22356	0.2
83.01370	0.3
93.03462	0.2
107.01380	0.7
109.02975	0.2
125.02546	0.2
135.00850	0.6
151.00374	1.3
159.04485	0.3
163.00331	0.5
164.01196	0.4
165.01926	0.2
169.06514	0.3
178.99878	0.4
182.02174	0.2
183.04517	0.9
185.05968	0.4
187.04056	0.3
205.38585	0.3
211.03857	1.3
213.05411	0.3
227.03481	58.4
228.03821	3.8
229.04955	1.4
239.03522	0.7
249.73560	0.2
255.02969	76.6
256.03546	10.9
257.04428	1.2
284.03244	80.0
285.03900	22.4
286.04312	1.4
327.05090	1.0
417.08224	100.0
418.08582	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	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49963	0.3
59.01378	100.0
60.01716	1.0
66.47971	0.4
70.59528	0.7
110.38605	0.4
185.03046	0.3
362.62784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97315	1.0
59.01377	100.0
60.01710	1.5
61.98824	2.3
64.41525	1.4
69.68398	5.8
74.42606	1.1
85.06403	1.3
90.29665	1.3
122.55251	1.2
290.86954	1.6
371.13010	2.9
415.19000	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34044	0.4
59.01379	13.6
61.98828	100.0
69.59039	0.4
71.01382	4.5
71.51069	0.5
83.01394	0.4
85.02949	1.0
89.02443	3.5
96.05266	0.4
101.02450	2.4
111.43236	0.5
113.02444	1.1
119.03489	1.1
135.04495	0.5
159.04578	0.5
161.04549	3.0
161.05740	0.4
177.09224	0.8
179.05655	1.1
182.02257	0.6
191.03551	0.5
192.03865	0.6
235.72134	0.5
357.15604	4.9
417.10498	1.4
417.17554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
98.20695	2.9
142.50766	1.2
254.05830	65.9
255.06595	46.7
256.06891	2.8
353.13901	52.4
354.14224	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	417.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
61.98829	12.0
68.99802	0.5
71.01375	1.9
71.52357	0.5
75.00865	1.1
80.91674	0.9
83.01395	2.0
85.02956	1.0
89.02475	0.9
93.03459	0.6
95.01398	0.8
96.96012	0.6
97.02952	0.6
99.00885	1.1
101.02406	0.7
109.02888	0.5
110.00094	1.5
111.00898	3.2
123.00892	0.7
123.04478	1.0
125.02435	1.9
126.90369	1.0
128.03545	1.0
136.98820	0.6
137.02487	2.5
139.00385	2.9
139.04002	0.7
140.01140	1.2
141.01926	1.1
153.01939	4.2
160.29588	0.6
165.01964	1.5
165.99084	4.8
166.99869	0.8
167.03481	1.2
169.01398	0.9
175.82030	0.5
177.01968	0.8
178.99883	0.7
181.01414	8.1
182.02208	48.7
183.02928	7.3
193.05214	0.7
194.99345	1.1
195.03008	0.7
205.01373	1.3
208.00017	0.7
208.12202	0.5
209.00931	3.3
210.01685	100.0
211.02400	16.0
212.02725	0.9
235.02472	0.7
345.08231	5.9
355.06723	0.8
366.21661	0.6
373.07733	81.9
374.08011	6.9
417.06564	6.8
417.14301	1.1
418.06738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	15.2
59.01363	9.1
61.98825	11.1
65.19280	2.0
66.03486	1.9
71.01377	4.7
71.51377	2.2
71.51762	2.5
72.00928	2.2
72.99289	3.6
74.02477	26.3
82.03008	2.2
86.02477	12.3
86.06071	2.6
87.05634	5.3
88.98818	10.1
89.02438	3.5
90.00166	2.3
97.04092	3.9
99.05640	24.9
102.05649	2.5
108.04545	7.0
109.02861	2.1
109.04082	4.7
112.04029	3.5
112.99397	3.4
123.05633	2.6
125.02414	3.2
125.03513	2.3
127.05128	3.2
128.03539	66.8
129.03894	2.9
129.05562	2.6
133.02963	3.8
134.03714	7.9
135.04599	2.8
135.05618	7.0
135.71596	1.9
137.02406	2.7
141.06667	4.2
142.03317	92.6
143.03741	5.2
143.04619	100.0
145.06166	4.8
146.04568	7.5
160.00758	9.8
161.02423	16.3
166.09837	3.7
167.04593	3.6
177.01891	2.7
177.03403	5.6
178.02673	3.2
179.03526	2.0
179.04643	19.9
180.82195	2.1
182.27002	2.2
185.05617	3.0
191.05615	32.5
193.05016	15.5
197.05577	2.8
203.03404	2.3
210.08844	14.7
254.07822	39.1
272.08871	73.1
273.09167	5.2
288.06537	7.6
306.07642	43.7
353.08585	3.7
397.12451	2.4
415.12811	49.7
416.12970	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1394
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
54.29986	0.4
54.56937	0.4
59.01371	2.6
61.98816	2.2
69.69945	0.4
71.01371	2.9
71.53465	0.6
73.02930	1.1
83.01381	0.8
83.01986	0.4
85.02927	1.9
87.00883	0.7
89.02426	0.4
92.01090	0.4
93.03460	0.5
93.63860	0.4
95.34895	0.4
101.02432	1.5
104.10452	0.4
113.02463	0.7
117.03452	27.3
118.03792	1.0
119.05016	10.2
121.02930	0.8
133.02936	0.7
137.02408	0.5
145.02937	100.0
146.03296	3.8
163.03993	11.8
164.04353	0.5
177.01945	0.5
219.06474	0.5
239.07104	0.5
253.17953	0.4
311.05542	4.0
344.95297	0.4
415.14056	36.6
416.14389	3.1
425.14471	0.7
426.99927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73495	0.9
56.00611	0.8
59.01359	1.3
61.98800	1.0
71.51292	1.2
74.99096	7.3
75.99669	0.8
77.00663	77.9
88.44568	0.8
108.88934	0.9
137.36769	0.9
147.08144	2.2
149.09676	1.7
163.11237	3.2
187.11295	1.8
274.62567	1.1
282.37888	0.9
307.17123	1.2
309.22327	1.8
337.21719	100.0
338.22052	12.3
341.27078	1.0
352.23889	1.0
406.31247	0.9
415.23080	18.2
416.23380	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17632	0.6
59.01368	2.5
59.87592	0.7
71.01358	0.9
71.10360	0.7
71.37169	0.6
78.95901	2.0
88.98801	2.1
92.47484	0.7
98.19760	1.1
109.02891	0.8
132.49666	0.7
133.02951	0.9
134.03740	63.5
134.04648	2.1
135.04076	1.5
137.02422	3.8
139.04010	1.1
139.74797	0.8
140.07419	0.7
147.57191	0.8
149.06075	22.4
155.90500	0.7
161.02415	2.4
167.03612	0.8
177.51453	0.7
178.02716	15.8
179.03372	0.9
180.12097	0.8
183.48431	0.8
191.05608	1.2
193.05043	100.0
194.05367	4.1
206.44635	0.9
215.07188	0.8
235.06172	1.1
279.08688	1.6
355.10266	2.0
415.12466	1.8
415.22043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	12.8
69.62831	2.6
73.74244	0.5
80.37198	0.6
88.75146	0.5
88.98804	100.0
89.02425	0.8
89.99145	1.1
95.01677	0.6
115.91787	0.6
145.02937	2.7
155.92827	0.7
241.81461	0.6
249.51540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46075	0.6
54.08859	0.6
59.01388	3.4
60.99305	14.9
61.79338	0.6
61.98841	0.7
70.29425	1.9
71.01389	1.5
85.21152	0.6
88.98803	100.0
89.02452	1.7
89.99134	0.7
91.04022	0.6
91.57199	0.6
95.20682	0.6
101.02431	2.2
102.49230	0.6
103.85178	0.6
108.78732	0.6
117.41993	0.6
127.95387	0.7
133.02956	8.8
135.04556	3.3
145.02921	2.1
161.02432	34.1
162.02756	1.9
179.03410	1.7
204.03760	0.7
415.12418	22.3
416.12750	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	415.1033
Annotation	Molludistin
Peak:m/z	Relative Intensity
59.01377	1.8
61.98809	0.9
64.30004	0.3
65.00310	0.5
65.03992	0.4
67.01878	0.4
68.99561	1.0
69.30704	2.1
70.57065	0.3
71.01372	1.2
78.29360	0.3
81.34465	0.3
85.02938	0.4
89.03937	0.4
91.01866	0.5
101.02404	0.5
109.02957	3.1
110.76933	0.3
112.98560	0.8
113.02491	0.4
117.15130	0.3
131.04959	0.3
132.02155	0.5
133.02948	20.9
134.03279	0.9
135.00911	0.3
135.04539	0.3
145.02937	0.4
147.04489	0.6
158.09753	0.4
163.00401	0.6
163.75826	0.3
170.85425	0.3
173.02455	0.4
174.06093	0.4
174.12856	1.0
175.02527	0.6
175.03990	7.4
176.04430	0.3
177.01933	7.5
178.02345	0.3
182.02231	0.4
191.03450	0.4
196.05202	0.4
199.03989	2.7
201.01979	2.1
201.05606	0.5
219.06642	0.5
223.07431	0.6
224.04823	0.8
225.05577	1.9
227.03300	0.4
237.05539	0.6
239.07201	1.1
241.05049	0.8
243.02812	0.6
243.06638	0.5
249.05547	0.4
251.03539	0.3
253.05025	0.6
255.03085	0.4
265.04990	0.6
267.06537	2.4
269.04581	1.4
283.05984	0.7
284.03296	1.9
284.06049	0.4
285.03888	0.6
293.04507	0.6
294.05130	0.5
297.04016	3.7
298.04822	2.8
299.05258	0.5
309.04037	9.4
310.04510	0.9
311.05579	100.0
312.05957	8.5
320.04343	0.3
323.05429	1.6
324.06549	0.5
325.07074	3.7
353.06641	3.3
354.06949	0.3
371.23685	0.4
379.08395	0.8
397.09250	10.5
398.09525	1.0
415.10300	62.1
416.10623	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	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
58.20484	0.5
58.78946	0.6
59.01381	3.1
65.00318	5.1
68.68447	0.5
69.40817	4.1
71.01384	0.9
74.24833	0.5
81.03445	2.6
83.01380	10.8
84.19654	0.6
89.02418	0.7
93.03483	0.8
95.01349	0.6
97.02940	1.1
99.04553	0.6
101.06078	16.3
101.07925	0.6
107.01384	7.6
113.02454	0.6
116.83118	0.6
119.03498	0.6
121.02925	2.0
123.04499	0.6
123.12811	0.5
124.01672	5.8
125.02437	42.1
126.02769	1.2
135.04471	0.6
137.02437	1.5
139.03926	1.0
142.35471	0.5
149.02429	2.5
149.99532	1.2
151.00362	36.6
152.00641	1.1
164.01071	0.8
165.01883	1.3
167.03433	1.2
168.00652	5.9
169.01416	4.0
175.00330	2.2
179.03453	2.0
181.01395	1.5
191.03406	0.9
193.01361	1.3
205.01430	1.8
215.19226	0.6
217.01225	0.8
235.02472	0.8
253.10393	0.6
295.04535	12.6
295.07712	1.1
296.04755	1.0
297.60748	0.5
313.05679	1.3
321.36600	0.6
392.18915	0.6
397.11481	1.3
415.12421	100.0
416.12692	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	414.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49428	0.3
59.01377	3.2
61.98826	4.4
69.59651	1.0
69.60061	1.3
71.01376	1.5
72.88378	0.4
73.02943	0.4
73.71075	0.3
81.03452	0.5
83.01413	2.0
83.05018	0.4
85.02952	0.9
89.02407	0.7
89.30555	0.4
95.01388	0.5
108.67523	0.4
109.02966	0.7
113.02437	0.7
117.03461	0.6
117.16922	0.4
119.05029	0.7
121.02946	0.6
123.04513	0.7
125.02469	0.7
128.03467	0.4
132.48645	0.4
133.02940	1.7
134.03273	0.5
135.04507	2.2
136.07689	0.7
137.02435	2.1
138.03192	1.3
145.02988	2.8
149.06107	0.4
150.03233	1.0
150.09163	0.5
151.03952	0.5
152.10812	0.6
153.01958	1.0
161.02432	5.8
161.06056	0.5
162.02789	3.1
165.01904	3.9
166.02689	3.6
167.03508	3.5
170.02246	0.8
178.02693	0.7
179.03474	3.8
180.06689	0.5
180.10231	0.5
182.02199	6.1
182.08212	1.1
183.02917	1.1
191.03534	2.7
192.03922	2.5
193.05040	10.8
194.05351	0.5
195.02979	1.1
196.03798	0.8
203.03534	0.6
206.08171	1.5
207.03070	5.2
207.06607	21.4
208.02411	3.3
208.06520	1.1
208.09854	1.2
209.04556	0.8
210.07745	0.7
220.09648	0.4
221.04530	8.7
222.05223	1.0
222.07689	1.6
223.04872	3.0
224.09264	18.8
225.09531	0.9
227.07104	1.0
234.07686	1.3
235.06104	33.0
236.06447	1.8
243.06587	0.9
246.07994	0.5
250.07207	1.8
251.07968	58.2
252.08717	34.5
252.12573	0.5
253.09061	2.7
255.10201	0.6
264.08774	1.0
276.08865	0.6
323.07806	0.4
345.08231	0.7
396.12939	0.7
414.14035	100.0
415.14328	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94742	0.3
58.65396	0.3
59.01377	100.0
60.01717	1.0
69.59782	1.7
110.31149	0.3
151.56725	0.3
172.19189	0.3
173.22304	0.3
197.28014	0.3
200.24113	0.3
250.68094	0.3
276.65765	0.3
358.46649	0.3
402.07813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.9
59.01381	100.0
69.66633	1.6
69.67049	3.4
90.08339	0.9
188.08363	1.2
261.66699	1.0
273.96970	1.2
430.00119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65755	0.4
51.28053	0.4
59.01382	3.0
61.98828	100.0
65.65131	0.4
71.01382	0.4
71.22166	0.9
85.02956	0.7
101.02475	0.5
104.02658	0.4
140.84352	0.4
174.01669	4.2
183.72488	0.4
220.42381	0.5
252.17020	0.5
253.28839	0.4
260.22006	0.4
297.03857	0.6
327.25421	0.6
328.25806	0.5
415.23532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.0
61.98817	1.0
63.02369	0.4
69.51981	1.8
71.01408	0.4
71.14866	0.3
73.02966	0.3
73.91649	0.3
103.05566	0.4
123.04488	0.6
133.02943	2.0
135.04494	1.0
145.02971	0.6
147.04512	1.8
149.02438	1.3
161.02438	6.6
162.02910	0.4
179.03479	0.7
190.02757	1.7
191.03502	100.0
192.03871	4.4
279.94345	0.3
353.08786	3.4
413.14578	2.9
414.14612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80936	3.4
53.95771	3.5
58.00608	2.9
59.01381	28.9
60.99287	13.8
61.98817	8.2
71.01385	18.5
76.70916	3.1
87.00864	3.9
88.98275	6.9
88.98805	100.0
89.02453	21.3
96.96015	8.0
101.02434	15.5
113.02401	7.3
118.02953	5.4
119.03493	6.0
122.23273	3.0
135.04547	4.9
140.01738	5.4
143.04617	3.6
144.04524	5.2
151.82014	3.2
153.01874	5.1
159.59000	3.0
162.05624	7.1
165.11383	3.0
188.03488	8.4
200.64635	3.1
207.06546	6.4
220.40436	3.4
272.08926	4.0
276.28381	3.1
314.82642	3.0
323.13434	87.2
324.13666	9.6
373.93915	3.2
407.28372	3.3
413.11734	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	413.2541
Annotation	Feigrisolide D
Peak:m/z	Relative Intensity
50.11478	1.5
57.03443	1.4
59.01378	15.0
65.32017	1.4
67.01880	2.4
71.01378	13.4
71.52683	1.8
72.99300	2.6
75.30363	1.3
81.01366	1.5
83.01401	3.3
85.02950	43.3
86.99409	1.5
87.00877	50.3
95.16126	1.3
112.98791	3.9
113.02457	1.9
115.00373	41.8
129.01938	9.6
157.01422	65.6
158.01790	2.1
175.02473	17.6
192.99254	1.3
255.23279	100.0
256.23694	7.8
286.33646	1.8
365.68597	1.7
413.25430	74.4
414.25787	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	0.8
70.99991	1.3
71.04741	0.6
78.95901	2.0
79.64996	0.5
84.25284	0.6
85.02964	1.5
109.28172	0.5
114.90266	0.6
125.65108	0.5
128.44746	0.6
132.68327	0.6
152.99635	2.2
155.00017	1.1
177.66528	0.6
212.98537	0.6
214.09567	0.6
242.11627	0.7
419.31201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79021	0.5
59.01371	1.6
60.88762	0.5
67.46259	0.5
69.68108	0.8
69.68513	2.6
83.01375	9.8
85.02975	0.6
89.03963	1.0
91.05500	0.5
95.01360	0.6
106.87917	0.5
107.01382	1.2
119.05047	1.6
119.79972	0.6
131.04993	0.7
133.02934	2.8
133.99510	0.6
135.04495	2.4
145.19572	0.6
147.04497	3.3
149.02419	1.3
151.04013	4.7
153.01915	1.8
159.00876	1.4
160.04863	0.6
161.02377	1.3
162.03253	3.1
163.04045	3.9
165.01894	2.6
175.00342	1.5
175.02567	0.8
175.03993	11.0
176.01096	2.3
177.01952	3.8
179.03448	4.6
181.01366	3.1
189.01909	0.9
190.02686	3.6
191.03471	14.2
192.03891	1.0
193.05034	0.6
196.82724	0.6
202.99866	1.7
207.02972	37.9
208.03333	2.1
209.04506	1.2
218.02190	12.7
219.02960	49.4
220.03325	2.9
221.00960	0.8
221.04462	1.5
223.06071	2.7
235.02454	50.3
236.02974	4.3
248.03075	0.7
250.04800	7.2
250.08490	1.2
251.05591	15.8
252.05872	1.4
342.50165	0.7
381.08246	19.1
382.08347	1.3
413.10791	100.0
414.11148	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98838	4.8
67.01869	0.9
71.01382	1.1
83.01382	39.5
89.03976	4.2
92.97348	1.1
95.01371	1.8
105.03448	1.6
107.01394	1.5
119.05040	3.1
121.02988	1.2
123.04516	0.9
124.36945	0.9
131.05043	1.8
133.02951	12.0
135.04543	5.1
137.02452	1.7
146.03703	1.6
147.04517	10.4
149.02438	1.5
151.03999	5.7
159.00813	4.8
159.04546	1.4
162.03183	4.3
163.04030	6.6
164.04645	1.0
165.01933	2.7
175.03999	39.8
176.01128	1.4
176.04312	2.3
177.01947	3.2
179.03510	9.1
181.05060	1.9
190.02628	5.4
191.03491	26.3
191.05165	2.1
192.03874	2.2
202.99852	2.3
207.02968	43.5
208.03465	4.4
209.04547	2.8
218.02177	14.4
219.02963	73.5
220.03363	4.2
220.62761	0.9
221.04527	2.3
223.06111	2.1
229.37294	1.1
231.03026	2.1
235.02464	42.2
236.03125	3.9
237.04030	2.9
250.04794	4.5
251.05588	11.9
252.05846	1.8
261.03986	1.1
288.71591	1.0
353.08743	1.9
381.08243	100.0
382.08762	8.9
413.10873	77.7
414.11285	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	411.2023
Annotation	CHEBI:69893
Peak:m/z	Relative Intensity
58.00585	5.3
59.01376	65.4
60.70921	1.6
61.98824	7.8
65.63772	1.6
67.05540	2.8
71.01376	37.0
71.52533	2.7
72.99306	3.8
83.01388	3.1
85.02955	9.9
87.00883	3.2
89.02443	44.4
95.01382	2.1
101.02443	26.6
107.67387	1.8
113.02450	17.4
119.03487	25.5
128.09050	1.7
131.03490	2.0
142.94177	1.7
149.04520	1.7
161.04564	3.2
174.01627	3.0
174.53387	1.7
179.05533	5.2
207.14043	2.6
217.59187	1.6
231.13876	100.0
232.14212	7.8
241.15976	1.9
249.11172	2.0
249.15041	9.1
259.16919	2.0
291.16025	3.6
411.20319	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46772	0.3
51.93728	0.3
59.01377	100.0
60.01717	1.2
70.73228	1.1
76.23287	0.3
83.50244	0.3
89.16518	0.3
89.51010	0.3
147.08176	0.4
147.28244	0.3
165.72359	0.3
237.16541	0.3
262.94250	0.4
333.69724	0.4
368.23245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
61.98828	10.8
70.81173	4.1
70.81531	1.9
71.01364	5.1
72.13171	1.9
74.53175	1.9
83.01381	5.7
85.02934	2.8
89.02452	3.7
101.02426	4.3
113.02409	2.2
119.03465	2.0
120.01185	2.0
138.03125	2.1
152.01207	2.1
152.03505	2.4
156.31546	1.9
163.03993	14.5
165.01952	10.5
166.02760	3.1
177.05551	5.4
178.02689	3.1
180.03078	4.3
181.03519	2.2
187.04083	2.3
191.03499	15.5
192.04279	2.1
192.07855	6.7
193.65555	1.7
194.02254	2.9
205.05022	14.6
205.12317	2.3
207.02957	6.5
220.07329	5.8
221.08160	29.4
225.05959	2.5
228.29593	1.8
231.13844	3.1
233.04535	27.1
236.41251	1.9
248.06888	65.6
249.07622	38.9
249.11299	16.2
249.14922	6.3
285.03955	2.1
297.04065	2.3
311.05560	4.3
337.03806	3.8
411.07333	8.4
411.12897	100.0
411.19855	6.3
412.13275	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	411.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78704	2.3
59.01363	6.6
61.98811	10.3
70.08520	2.4
70.60867	6.8
75.95618	2.3
89.02466	2.2
114.89157	2.1
118.33832	2.4
119.03469	4.0
123.51481	2.5
143.04694	2.2
161.02408	10.3
175.02461	2.5
183.13835	6.9
190.47174	2.4
190.58255	2.3
195.13911	6.3
197.02187	3.3
200.18878	2.3
213.14941	100.0
214.15269	5.9
290.62592	2.5
305.79172	2.0
343.86160	2.4
343.90704	2.4
411.16653	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	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.0
61.98813	1.6
69.17528	6.5
71.01373	2.4
72.73297	0.7
78.95894	0.9
83.01369	4.9
85.02947	1.1
89.02439	1.9
91.28179	0.7
98.43322	0.6
101.02405	1.9
110.17537	0.6
113.02431	1.7
119.03480	0.8
119.05024	1.2
124.01664	1.2
137.02423	1.2
150.03229	1.5
152.01143	2.3
156.00603	1.0
163.03998	15.6
164.04665	1.1
165.01910	11.2
166.02670	2.6
170.02235	1.2
175.62334	0.7
177.05519	5.0
178.02673	1.8
179.03470	1.9
183.03003	0.7
187.03983	0.8
191.03503	14.4
192.04153	2.5
192.07890	8.9
203.07104	1.8
205.05032	12.0
205.06844	0.9
205.08643	1.1
206.05396	1.0
207.02982	4.5
215.03392	1.2
219.06607	2.6
220.07407	7.3
221.08177	24.7
221.10335	1.3
222.08571	1.6
231.06564	1.4
231.13904	0.9
232.07170	0.7
233.04509	21.5
234.04755	1.2
235.08385	0.7
237.05440	0.8
247.06140	1.8
248.06870	66.0
249.07590	33.9
250.07938	1.5
261.07578	1.2
279.08789	0.8
281.54147	0.7
367.08063	0.8
373.25833	1.8
411.12909	100.0
412.13162	10.7
436.20004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2356
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01385	0.4
69.78146	0.7
69.78561	1.6
73.99066	0.3
78.95898	66.1
84.45281	0.3
96.96954	5.6
102.44421	0.3
124.63296	0.4
150.97971	2.0
152.99576	100.0
153.99904	1.7
163.11249	2.3
171.00626	2.5
179.33253	0.3
185.71443	0.4
190.09921	0.4
233.15402	1.4
255.23254	2.2
399.71188	0.4
406.33368	0.4
409.23462	18.2
409.27521	1.1
410.23959	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	409.2359
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01386	0.4
61.98815	0.3
73.07047	0.2
77.31681	0.1
78.95901	50.0
83.72117	0.2
85.62477	0.2
96.96960	6.1
101.66242	0.2
148.97755	0.2
150.97975	1.5
152.99580	100.0
153.99898	1.4
171.00644	3.7
237.71107	0.2
240.94017	0.2
255.23315	1.2
260.09204	0.2
397.74167	0.2
409.23575	10.5
410.24017	1.3
427.23834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46526	0.5
55.31159	0.4
59.01370	2.0
61.98813	0.8
62.11934	0.4
69.03464	0.8
70.61034	0.4
74.97504	0.4
78.95901	23.3
93.80440	0.4
96.30693	0.4
96.96954	2.9
98.20667	1.1
127.72701	0.4
131.03517	1.0
150.98051	0.9
152.99580	47.6
153.99857	0.6
171.00612	1.8
186.50378	0.5
208.36377	0.5
255.23254	0.6
277.21704	100.0
278.22052	7.6
289.77972	0.4
350.43604	0.4
409.23361	3.7
412.80197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90719	0.5
59.01350	1.0
60.99306	13.6
66.17698	0.5
71.51194	0.8
78.95912	1.5
88.98802	100.0
96.96009	1.7
96.96957	2.1
97.22285	0.5
105.01945	3.7
125.02443	1.1
137.02449	0.7
139.04005	0.6
151.02634	0.6
153.01881	2.0
167.03532	0.6
186.60800	0.6
278.09500	0.6
305.06607	1.7
339.52075	0.5
365.06152	0.6
399.01056	0.5
409.74289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14728	1.0
58.00562	1.1
59.01377	100.0
60.74978	1.2
63.08020	1.0
69.56903	6.9
71.01382	36.1
72.99307	2.1
73.02931	3.6
79.06912	1.0
83.01386	2.1
85.02947	9.1
87.00865	1.8
89.02444	34.2
95.01405	2.1
98.19933	2.4
99.00860	1.8
101.01804	1.8
101.02437	23.9
113.02452	15.2
119.03503	17.1
143.03470	4.3
149.04565	1.2
161.04556	12.8
179.05620	14.7
187.13336	4.8
249.64932	1.1
263.08279	1.2
338.53574	1.1
349.18646	60.3
350.18890	4.9
380.23431	1.4
409.20718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03441	0.8
57.67876	0.4
58.00582	0.9
59.01376	22.2
60.99296	2.0
61.98832	2.1
69.31285	2.9
71.01379	12.3
71.35875	0.4
72.99310	1.2
73.02945	2.8
74.99080	0.6
78.91879	0.4
82.19467	0.3
83.01381	1.5
85.02945	4.7
87.00858	1.6
88.00394	0.7
88.98802	14.3
88.99357	0.8
89.02437	7.6
89.02858	0.2
91.37543	0.3
93.93439	0.3
95.01375	1.3
95.94151	0.4
99.00880	1.0
101.02442	7.8
111.08186	0.8
113.02454	4.3
119.03510	2.8
120.99619	0.4
125.02461	0.9
125.09691	0.8
127.11263	0.8
135.04501	0.6
155.10802	0.6
160.08844	0.8
161.04486	0.8
171.10265	3.6
173.08255	0.8
193.01355	0.4
199.13446	0.6
200.72479	0.4
201.11302	3.3
209.11794	0.6
211.13371	1.3
215.12875	1.1
227.12872	1.2
229.14432	9.1
230.14835	0.4
247.15485	24.3
248.15814	1.6
248.73526	0.3
270.18478	0.4
289.48181	0.4
349.18521	0.7
391.19617	2.1
409.20764	100.0
410.21103	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.54809	0.3
57.03448	3.1
58.00590	4.4
59.01377	100.0
60.01707	1.4
61.98830	2.6
69.03452	3.1
70.09540	0.6
70.09911	1.1
71.01381	54.0
71.05017	0.5
72.01718	0.8
72.02121	0.3
72.99309	6.3
73.02944	36.9
74.03271	0.8
75.00874	1.2
81.03457	1.0
83.01390	4.0
83.05032	0.5
83.05495	0.3
85.02947	18.5
85.06610	0.4
86.00109	2.2
86.14232	0.2
86.24165	0.2
87.00871	14.1
87.04510	6.5
87.05056	0.3
89.02441	49.1
90.02795	1.0
93.03499	0.3
95.01406	1.7
97.02944	1.9
98.20583	0.4
99.00903	1.2
99.04497	1.4
101.02441	64.3
102.02775	1.0
103.04008	25.9
104.04359	0.4
104.84237	0.2
109.02934	0.6
111.00930	0.3
111.08179	0.5
112.58947	0.3
113.02449	9.3
114.02768	0.3
115.04004	8.2
115.07659	0.4
116.92876	0.5
117.03463	0.4
119.03493	20.6
120.03791	0.3
121.02943	0.3
123.08151	0.9
125.02441	4.0
125.24844	0.3
127.04019	2.2
131.03499	14.7
132.03796	0.5
133.05035	0.5
137.09726	0.7
141.01907	0.3
143.03491	19.0
144.03851	0.6
145.03035	1.6
145.05066	9.3
146.03262	0.6
149.04562	0.8
149.09726	1.2
149.35997	0.3
151.00415	0.7
153.01949	0.3
155.10770	0.4
159.03014	0.3
160.01613	0.3
161.04541	2.3
163.06117	61.0
164.06404	1.9
165.01900	0.5
167.10774	0.7
171.10271	4.7
172.10600	0.5
179.05595	4.5
181.01447	0.4
182.02193	5.1
183.02982	5.8
184.10936	0.4
187.13412	0.3
189.04031	0.3
205.07162	32.8
206.07494	1.4
213.14996	0.3
227.07149	1.0
227.12924	0.6
241.86232	0.3
245.04498	0.5
245.07123	0.3
245.14008	1.4
261.13397	1.2
265.09244	2.7
303.21750	0.7
345.04376	0.5
345.08261	7.0
347.17279	0.4
361.25980	0.4
389.25421	2.3
390.25812	0.5
407.09851	0.9
407.19141	5.3
407.26389	30.3
408.19360	0.5
408.26736	3.2
417.38855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80389	0.4
77.45930	0.3
78.95900	100.0
96.96960	9.7
114.15442	0.4
124.08130	0.4
147.19075	0.3
150.98016	1.7
152.99576	96.2
153.99907	1.4
171.00629	77.8
172.00990	1.3
228.90578	0.3
407.22006	5.0
408.22748	0.4
430.68088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.91091	0.3
56.18824	0.4
66.09509	0.3
66.43250	0.4
71.01097	0.8
78.95898	100.0
86.26447	0.3
96.96955	8.7
97.08437	0.4
105.56493	0.3
150.98003	1.6
152.99574	90.4
153.99899	1.1
171.00627	75.4
172.00948	1.0
407.22006	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	408.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.2
61.98824	16.0
71.24531	2.8
77.65568	1.9
88.93021	2.1
90.98731	2.1
109.96217	2.0
111.93126	2.2
165.01944	4.0
181.01419	2.7
182.02200	82.2
183.02975	78.9
184.03322	3.7
196.41312	2.4
345.08246	100.0
346.08585	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	409.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85355	0.5
56.24015	0.5
57.03425	0.6
59.01378	16.0
60.99304	15.6
61.98827	3.8
69.14383	0.5
69.45796	1.4
69.46218	2.3
71.01381	4.9
73.02963	0.8
74.99120	0.9
83.01385	0.8
84.79674	0.5
85.02950	2.0
86.02478	0.6
87.04567	0.5
88.98801	100.0
89.02436	3.2
89.99139	0.8
99.00808	0.5
101.02436	3.6
105.94946	0.5
113.02442	1.7
119.03484	1.3
123.47456	0.6
125.02414	3.0
145.07686	0.6
148.79698	0.6
156.70848	0.5
161.04539	1.9
179.05661	0.6
193.01393	3.0
223.38464	0.5
247.15515	0.7
261.07724	0.6
277.12936	1.9
287.10464	0.8
289.11099	0.8
305.16071	4.3
315.08820	1.0
331.17676	1.0
349.11484	0.9
349.18616	2.8
350.19284	0.6
409.11511	1.9
409.20294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1347
Annotation	Torachrysone 8-O-beta-D-glucoside
Peak:m/z	Relative Intensity
58.74802	0.2
59.01380	1.8
61.98823	1.1
71.01352	0.4
71.52779	0.3
85.02899	0.3
120.99656	1.5
143.04996	0.2
154.57106	0.2
159.04520	0.4
182.02216	1.5
183.02974	1.2
197.79976	0.2
202.06346	1.3
215.03491	11.9
216.03816	0.6
230.05824	53.4
231.06169	3.4
233.74010	0.3
239.63316	0.2
245.08170	100.0
246.08519	7.8
345.08215	2.0
407.13309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.171
Annotation	Plagiochilin B
Peak:m/z	Relative Intensity
59.01373	7.7
61.98833	1.0
62.55438	0.4
64.30451	0.4
70.66597	1.3
88.35939	0.4
95.24670	0.4
109.02986	0.4
121.02969	1.0
127.11246	0.9
130.76764	0.4
132.02162	0.5
132.35167	0.4
133.02953	17.6
134.03780	3.9
135.04529	11.0
137.02463	3.3
139.04031	0.6
146.03734	1.5
147.04482	0.4
148.05316	0.5
157.12317	4.4
160.01707	0.6
161.02441	100.0
162.02779	5.1
162.06859	0.4
174.03223	2.2
178.02760	1.4
179.03493	4.8
182.02199	1.1
183.02922	0.8
185.11824	1.3
203.12874	16.3
204.13170	0.8
233.15225	0.5
245.13948	1.2
259.17056	3.9
265.57996	0.4
275.16510	2.9
300.23981	0.4
303.15985	30.4
304.16446	2.6
317.04657	0.5
319.15466	20.7
320.15863	1.6
329.13824	5.0
345.08173	0.9
347.14966	29.4
348.15344	3.0
365.16013	28.0
366.16476	3.3
407.17072	14.5
408.17484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03428	1.8
58.00587	1.1
59.01381	51.5
60.01720	0.6
61.98826	4.4
69.43743	2.7
71.01379	15.1
72.99294	1.3
73.02562	0.5
73.02948	9.9
75.00851	1.1
78.10031	0.4
78.62782	0.4
82.32759	0.4
83.01383	6.6
83.27282	0.4
85.02948	11.0
86.00092	1.9
87.00871	1.4
87.04504	0.7
89.02425	2.0
95.01368	2.0
96.33453	0.5
97.02915	0.5
99.00883	2.9
101.02447	22.1
111.00867	1.4
113.02435	6.9
119.04975	0.4
129.01962	0.8
145.02960	1.1
146.58763	0.6
157.12373	2.5
159.03033	0.8
161.04541	2.0
161.51437	0.5
171.10245	1.6
182.02211	3.6
183.02966	3.8
185.11743	1.1
203.12881	5.2
255.10217	0.6
299.23755	0.5
303.18320	0.5
319.17606	1.0
320.68280	0.5
345.08292	4.1
347.17068	34.6
348.17371	3.4
365.18127	83.4
366.18427	7.3
407.19189	100.0
408.19568	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56848	1.1
59.01376	24.0
61.98828	8.6
65.93787	1.0
65.99844	1.9
70.03694	5.8
71.01376	7.2
72.99317	2.0
73.02922	1.9
82.02977	10.3
83.01381	3.7
83.04358	1.1
85.02905	1.7
89.02425	4.6
99.55518	1.2
101.02432	5.6
106.03033	1.4
109.02869	1.1
113.02438	3.2
119.03531	1.1
119.05013	1.3
123.00861	1.3
150.05693	1.3
151.00455	1.4
160.07663	3.0
161.04623	1.4
162.05548	1.6
164.03516	6.1
165.16997	1.2
171.10196	1.4
174.01950	1.9
174.05569	1.9
183.02954	2.4
186.05525	1.5
188.07143	3.3
190.05185	1.8
191.04680	2.3
194.04549	1.6
200.07202	1.9
202.08727	3.8
215.04619	2.6
216.05005	6.4
216.06975	2.7
216.10277	2.9
217.02634	6.5
217.06148	9.5
218.07011	2.6
228.06566	3.6
229.06012	9.9
230.03275	2.2
230.06940	5.2
231.07718	14.1
232.08405	3.3
241.06181	3.8
242.03395	4.0
243.04091	18.9
243.07808	5.0
243.11493	1.4
244.04845	14.9
244.09827	12.7
245.04730	2.2
245.09407	6.5
248.09235	4.0
249.05080	1.7
256.04904	7.1
257.05676	18.2
257.09375	3.0
257.17661	1.4
258.06339	7.8
259.07224	44.6
259.10788	8.4
260.07443	2.1
269.09296	4.9
271.07260	25.8
272.07770	3.0
285.08804	5.3
287.10361	76.8
288.08658	4.6
288.10980	3.8
291.09848	10.7
297.04926	1.5
303.06268	1.5
303.09875	2.7
313.08276	100.0
314.08737	9.2
329.07883	1.5
331.09354	56.0
332.09656	5.3
335.08701	1.9
345.11044	8.8
347.17111	3.7
357.07269	1.8
365.18167	3.1
375.08298	24.6
376.08514	2.8
389.09784	5.4
407.10953	75.3
407.18961	11.8
408.11377	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70814	1.2
57.03395	1.2
59.01108	2.0
59.01382	25.4
61.98827	8.5
65.99866	1.2
70.03870	5.2
71.01377	5.2
73.02964	1.7
74.55192	1.4
82.02972	10.4
83.01383	3.0
85.02947	2.4
89.02444	3.9
93.03470	3.8
96.00921	1.2
101.02447	4.5
113.02447	2.4
119.03567	1.7
119.05043	3.0
123.00893	5.5
130.08755	3.0
132.04562	1.5
142.99843	1.6
145.02927	1.7
151.00343	10.4
160.07703	3.7
161.04626	1.7
162.04370	1.6
162.05608	1.4
163.04141	1.6
164.03508	6.3
165.87659	1.5
171.10266	9.3
174.05624	2.1
179.03568	2.9
181.01404	1.5
186.05579	1.3
194.04526	2.6
201.09227	1.6
202.08771	4.4
203.08189	1.5
215.04604	2.8
216.05388	6.1
216.07019	2.7
216.10400	1.9
217.02618	6.8
217.06207	7.5
218.06917	3.9
221.04437	2.2
226.08588	1.7
228.06836	1.9
229.06035	10.2
230.03275	4.0
230.06943	4.3
231.07770	12.5
232.08446	4.0
233.09425	1.5
241.06194	3.8
242.03426	3.6
243.04082	20.6
243.07764	3.5
244.04883	10.2
244.09827	12.7
245.04556	5.4
245.09435	7.1
248.09317	3.1
249.05194	2.3
254.07063	1.8
256.04919	5.5
257.05673	18.8
257.08527	1.8
257.09317	1.7
258.06390	7.8
259.07217	49.4
259.10791	6.8
260.07333	2.2
260.11630	1.4
269.09277	3.4
271.07224	27.3
272.07739	4.6
285.04965	1.3
285.08835	4.8
287.10370	68.7
288.08746	6.5
288.11258	3.0
289.08862	1.8
291.09882	11.7
298.05960	2.0
303.09683	1.4
313.08295	100.0
314.08640	9.5
331.09332	52.3
332.09592	4.8
335.08807	2.7
345.10880	6.9
347.17181	3.0
357.07404	3.4
365.18085	3.7
373.13968	4.9
375.08331	26.6
375.11862	1.0
376.08694	1.5
389.09988	6.0
390.16794	2.1
407.10901	72.4
407.18964	11.8
408.11496	7.6
408.19302	1.9
408.35391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.99313	0.3
61.98829	100.0
63.99268	0.3
71.51714	0.3
85.02978	0.7
88.92684	0.3
88.98808	5.3
89.99150	0.5
95.01409	0.3
96.96005	0.3
96.96993	0.4
99.47964	0.3
101.02444	0.3
106.82587	0.3
113.02464	0.8
142.27286	0.3
147.04559	0.9
161.02400	0.6
164.07112	2.2
164.49542	0.3
186.40569	0.3
296.38498	0.3
407.07632	1.1
416.58438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
58.72628	0.5
59.01362	1.3
61.98846	0.5
65.00320	0.8
66.10902	0.6
67.56371	0.5
69.24549	4.3
81.03452	0.5
81.59238	0.5
81.76513	0.6
83.01389	1.9
98.19851	1.0
107.01388	1.5
109.02939	1.1
109.62104	0.7
125.02443	67.1
126.02766	1.8
133.02960	2.4
135.04498	1.2
137.00635	2.5
137.02405	0.8
139.02243	1.0
141.00137	2.6
151.00368	5.2
153.00110	0.9
153.01900	2.1
160.01648	4.7
165.00139	7.2
165.01898	6.0
167.01718	19.6
168.02126	0.8
177.01921	2.4
182.02231	2.6
183.02995	2.4
192.99628	100.0
193.99954	4.2
216.99634	0.7
231.80731	0.5
255.03427	0.7
285.04138	2.2
286.84119	0.5
301.01758	3.5
307.77808	0.5
319.02777	62.0
320.03076	5.1
345.08279	2.6
385.92914	0.6
389.03323	0.6
407.04358	9.8
407.09470	1.1
408.04675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01863	1.2
57.03422	1.6
58.00579	1.9
59.01379	53.8
61.98832	6.0
66.43884	0.9
69.03452	8.6
70.82132	1.8
71.01381	41.6
71.05035	0.9
72.99287	3.1
73.02931	1.9
78.95894	9.9
79.01883	5.4
83.01373	2.0
83.98071	0.8
85.02967	5.2
87.00873	1.0
89.02446	30.8
93.03420	1.2
95.01360	2.5
96.96931	1.3
97.02968	6.2
97.06614	1.4
101.02444	21.5
107.01385	10.1
108.02168	2.1
109.02948	1.7
113.02451	10.9
114.02821	1.0
119.02781	1.2
119.03508	12.5
121.02895	1.4
123.00877	2.1
125.02438	11.1
127.11240	1.8
131.03464	1.7
133.02890	1.4
134.04663	2.3
139.11226	2.3
143.03458	1.4
143.10724	1.1
149.04546	0.9
151.00371	14.9
152.00859	0.9
153.01831	3.1
153.12845	5.8
161.04488	2.0
162.40858	1.0
163.03883	1.6
175.88704	0.8
177.01927	2.1
179.05525	3.3
184.66985	1.1
193.41522	0.9
199.07642	1.4
199.13287	3.6
225.14934	4.5
242.05843	16.4
243.06540	10.6
243.15962	1.8
297.05902	3.1
317.01108	1.0
319.20837	2.3
327.21597	1.3
343.24649	1.8
345.08112	1.0
345.22919	5.0
358.14401	0.9
361.22055	1.9
405.11734	5.3
405.21027	100.0
406.21390	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	405.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39638	1.1
55.75915	1.1
57.03448	6.3
58.00586	1.9
59.01379	20.9
61.98829	5.3
65.67065	0.9
69.20716	8.8
71.01350	2.2
71.05018	2.8
73.02950	5.6
83.04996	1.2
85.02947	3.6
85.06590	3.2
87.00865	1.5
87.04509	30.8
97.06576	3.9
99.04514	1.3
101.02442	1.6
101.06097	9.6
109.06568	2.1
111.08128	1.1
113.02425	1.1
113.06094	1.9
115.07626	3.2
119.04936	1.2
122.06112	1.2
123.08159	2.8
124.01092	0.9
125.02420	1.4
125.09713	9.5
126.10017	1.2
127.11272	1.7
129.09232	2.4
135.08128	2.0
136.79105	1.0
137.09738	2.8
139.07715	1.7
139.11281	4.0
145.02934	1.8
147.04485	1.2
149.09718	1.8
153.01793	1.1
153.09221	2.6
155.10745	3.5
157.12297	1.2
159.10252	3.2
167.10716	2.1
171.10258	69.8
172.10553	2.7
173.11815	3.6
174.64340	1.0
181.12311	1.8
183.10260	3.4
185.11813	4.3
187.09775	1.6
199.13364	3.5
201.11311	56.8
202.11670	3.2
203.12874	19.2
204.13208	1.3
215.12865	3.5
217.10809	2.8
225.11238	1.8
233.13899	13.5
243.12325	19.3
243.16003	21.3
244.16345	1.4
255.15999	2.4
269.17606	2.0
311.10522	1.8
319.21201	3.7
329.11517	4.9
345.23166	1.2
361.22348	1.8
363.23788	2.1
387.23856	61.7
388.24341	4.9
405.12048	3.2
405.24908	100.0
406.25293	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	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01866	2.2
57.03445	1.6
58.00591	1.8
59.01381	45.6
61.98837	3.9
62.17822	0.6
63.99313	0.9
70.00323	3.7
71.01382	21.8
72.99298	1.3
73.02947	2.5
81.03457	1.8
83.01381	4.9
85.02940	8.4
85.06586	2.0
87.00873	1.9
89.02444	13.4
90.02811	0.8
95.01379	2.6
97.06606	0.9
99.00870	3.8
101.02434	16.0
105.56492	0.7
107.01393	1.9
113.02456	7.6
119.03487	4.4
125.02436	3.1
151.00383	3.8
155.14427	6.4
161.04527	3.6
165.12805	0.9
181.15984	4.3
199.07652	1.6
199.13393	14.3
225.14897	6.4
226.15254	0.8
243.06610	22.0
244.06903	1.2
290.18747	0.9
345.19138	10.2
373.10358	2.4
405.21255	100.0
406.21631	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01862	1.5
57.03432	1.3
58.00578	0.9
59.01381	27.0
61.98829	11.9
64.52579	0.7
66.33062	0.6
71.01382	20.7
72.99312	1.8
73.02943	3.2
73.56565	0.6
83.01395	3.5
85.02944	7.1
85.06580	2.5
87.00886	1.4
89.02444	11.0
95.01386	1.2
97.06550	0.8
99.00906	3.2
101.02444	14.3
113.02445	7.4
119.03492	5.0
131.03593	0.7
137.02399	0.8
143.04620	1.0
155.14412	7.0
161.04558	1.1
175.02399	0.8
181.16005	2.9
199.13387	13.3
200.13705	1.0
221.70992	0.6
225.14961	3.4
307.07922	0.6
343.04605	1.2
387.20413	1.0
405.21274	100.0
406.21625	11.8
414.95908	0.6
428.59171	0.6
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
50.06188	12.4
50.82581	18.0
53.28824	14.7
58.63152	12.9
59.01371	41.0
59.18912	15.1
61.98818	39.1
69.34177	100.0
103.94853	14.0
110.19611	14.4
118.95412	17.4
171.79832	15.8
288.60068	15.2
319.21353	16.8
334.42017	18.4
373.24600	20.2
405.16702	31.5
405.24817	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55597	0.6
57.03451	1.9
59.01376	100.0
60.01698	0.7
61.98829	14.9
61.99125	1.2
69.03461	3.1
70.79910	0.9
70.80228	0.8
71.01379	3.3
73.02940	4.3
82.12604	0.6
85.02953	1.7
87.04521	1.5
88.14615	0.6
89.02454	2.9
99.04636	0.6
101.02464	2.3
106.59912	0.6
109.06691	0.8
111.08104	0.7
113.02480	4.0
119.03509	2.1
119.05084	0.6
120.21878	0.7
123.08141	0.8
125.02420	0.6
128.03566	0.9
131.03503	0.9
135.04527	1.1
137.09674	0.9
139.11313	7.6
143.04602	1.4
144.04987	1.1
145.02962	1.9
161.02431	0.7
161.04596	1.5
169.12395	0.9
183.10248	56.5
184.10611	3.5
207.10397	0.8
225.11403	1.0
227.07224	0.8
243.06761	0.8
243.12392	1.1
253.09735	0.9
265.09995	0.7
267.07629	1.0
273.09149	1.0
281.09369	3.4
283.10864	1.4
285.12512	0.8
293.09412	2.5
296.07828	1.3
306.07712	1.0
307.08115	2.2
311.10364	10.9
312.10687	1.3
318.95557	0.6
329.11484	3.3
345.15637	2.0
373.10196	0.7
389.15231	0.9
405.16870	1.4
405.24905	11.3
406.25504	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	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01375	24.2
59.34776	0.3
60.01720	0.4
61.98823	4.3
71.01393	2.3
71.05007	0.8
73.02944	5.9
82.13768	0.3
83.01385	0.8
83.84741	0.3
85.02913	1.2
87.04517	0.8
89.02439	1.0
95.01403	0.5
95.05009	0.6
97.06570	0.5
98.20706	0.7
99.00860	0.4
101.01820	0.4
101.02435	1.2
109.02946	0.5
111.08145	0.4
113.02454	1.5
117.03439	0.9
119.03477	0.6
119.05016	0.7
123.08151	0.4
125.09684	0.8
128.03514	0.4
134.06070	0.5
135.04515	0.5
135.08125	0.5
137.02448	0.7
137.09694	0.6
139.11284	16.0
140.11601	0.6
141.56760	0.3
143.04565	0.4
145.02937	3.5
148.40404	0.4
153.09215	0.8
161.02460	0.8
162.05537	0.7
163.04013	0.8
163.11252	1.0
165.09210	1.1
169.08653	0.4
171.71545	0.3
181.12343	9.1
182.12715	0.5
183.02991	0.3
183.10246	21.6
184.10573	1.2
187.09795	1.8
187.13522	0.4
196.03746	1.1
199.13393	4.5
207.10268	0.8
217.10753	1.6
225.11298	6.8
226.11766	0.4
227.07158	1.7
239.07158	0.3
243.07053	4.1
243.12347	100.0
244.07108	0.5
244.12682	6.3
245.17528	0.5
249.11345	0.5
255.10184	0.5
281.09164	0.5
283.10974	0.4
285.13501	2.6
303.08728	1.1
304.00552	0.4
305.71375	0.4
311.10352	2.1
319.21277	0.6
329.11432	1.4
345.15381	0.5
345.23001	0.4
363.23889	0.8
375.93411	0.4
387.23938	1.2
405.12396	1.0
405.17642	6.1
405.24905	12.5
406.18375	1.2
406.25128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
57.58902	0.1
58.98228	0.2
59.01369	0.3
61.98811	0.6
70.50952	0.2
71.01381	0.4
71.41737	0.4
83.59236	0.2
92.02689	0.2
93.03452	27.0
94.03780	0.4
106.04282	0.2
113.02383	0.2
121.02946	2.0
123.04571	0.3
128.97160	0.2
131.05072	0.2
134.09665	0.2
134.89909	0.2
137.02435	100.0
138.02769	3.7
155.08720	0.2
157.06596	0.3
180.05676	0.2
181.06598	0.5
199.07622	18.3
200.07936	1.2
243.06592	39.2
244.06912	2.8
284.88553	0.2
372.85904	0.2
405.11871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03444	0.8
58.37430	0.8
59.01376	12.3
61.02972	0.7
61.98831	8.1
71.01385	7.2
71.52471	1.0
72.01762	0.7
72.08012	0.8
72.99290	0.7
73.01781	0.8
73.02947	3.3
74.02472	1.4
78.95927	1.1
82.95441	0.9
83.01394	1.2
85.02959	3.0
87.00888	1.0
89.02444	3.8
93.03458	2.0
95.01396	1.1
96.96015	1.7
96.96970	1.0
99.00824	0.8
99.05637	1.1
101.02422	4.5
103.02866	1.6
109.02977	3.8
113.02457	3.4
117.03441	1.0
119.03481	1.3
119.05023	2.8
121.02940	1.0
122.06150	1.1
123.00941	1.0
123.04527	0.9
124.07711	0.9
125.02454	1.4
128.03554	2.8
131.03680	0.8
137.02446	5.8
143.03581	0.8
143.04640	3.0
144.04796	0.7
145.02916	4.1
146.02483	4.3
148.04016	1.9
149.02434	1.8
150.05609	1.1
160.00728	1.4
161.02341	1.3
161.04544	3.3
163.03893	1.0
166.48541	0.8
173.06102	3.1
174.01945	3.4
176.03563	4.7
176.07201	1.4
177.01968	1.0
183.02890	1.3
198.05609	1.7
210.05569	2.0
210.09193	0.9
215.07112	1.4
222.09302	0.8
225.05446	2.3
226.05054	3.8
227.05914	3.7
228.05061	2.5
228.06645	8.7
228.10306	2.1
229.07352	0.8
239.05865	1.0
239.08224	1.5
240.05405	2.6
240.10324	0.9
241.07407	1.1
242.05728	1.2
243.06541	53.9
244.06802	3.7
253.04753	1.1
253.07397	0.8
253.09937	1.2
254.07925	1.1
255.07883	2.6
255.11394	1.6
256.06244	6.2
256.09836	5.9
257.06830	3.1
257.09354	1.3
258.06427	9.7
258.11490	1.0
265.09799	2.1
266.06961	1.1
267.07745	8.1
267.11359	2.9
268.09668	1.9
271.10928	2.0
272.08511	1.2
273.08817	17.1
273.11795	1.0
274.09216	1.6
279.07840	1.0
281.09387	2.4
283.10843	6.5
284.08011	1.7
285.12479	2.7
286.10770	5.7
293.09271	2.1
295.07281	5.1
296.08029	7.1
297.08356	0.9
299.06985	1.9
299.10367	31.7
300.10611	2.6
300.74939	0.9
301.11856	6.0
306.07715	2.6
307.07950	3.4
311.10315	10.9
312.10818	1.3
313.85260	0.8
325.08331	1.0
329.11407	100.0
330.11761	9.2
343.09415	11.5
344.09677	1.3
345.15738	1.0
361.14523	0.8
373.10452	9.7
375.12006	2.9
405.12952	5.4
405.17538	2.7
405.25070	2.3
406.12988	1.3
406.18350	0.9
423.88599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01379	0.6
61.98816	0.7
65.00317	1.1
65.03957	3.2
67.01888	1.7
68.99796	0.7
71.01369	0.8
74.18296	0.5
91.01892	39.7
92.02210	1.4
93.03454	2.7
98.19837	1.1
107.05008	1.9
108.02195	3.5
108.58106	0.5
109.02947	26.2
110.03281	0.7
121.02924	1.0
133.02962	1.4
135.00879	100.0
136.01184	3.2
137.02437	14.1
149.02443	1.6
151.03909	0.5
153.01929	80.7
154.02260	1.6
175.03973	3.4
177.01945	2.7
189.01930	0.6
197.06001	0.8
199.07674	1.6
225.05560	1.1
243.06607	16.2
244.06914	0.8
255.75563	0.6
267.06744	0.8
297.06119	14.1
297.09512	0.7
298.06396	0.8
399.01028	0.6
405.11789	12.6
406.12106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02378	0.6
55.01872	0.5
59.01384	1.0
61.98824	5.4
65.27419	0.3
67.01891	0.5
68.99796	0.4
69.03453	53.0
70.03792	1.1
71.01376	1.7
71.53198	0.4
73.20674	0.4
79.01888	29.6
80.02256	0.3
81.03457	3.1
83.01395	0.8
84.69681	0.3
85.02942	2.5
87.00860	0.3
93.03470	0.8
95.01383	10.1
95.76694	0.3
97.02948	29.3
98.03297	0.6
101.02440	0.8
107.01385	69.6
107.05009	0.7
108.02231	6.9
109.02960	5.3
110.03296	0.3
113.02441	1.7
119.05017	0.5
121.02961	3.8
122.03797	0.5
123.00885	17.5
125.02444	57.5
126.02789	2.2
133.02969	1.7
134.03757	0.9
135.00883	20.8
135.04498	1.8
136.01695	5.9
137.02460	2.7
145.02994	0.8
149.02417	2.2
151.00369	82.2
151.03976	1.1
152.01173	9.1
153.01933	27.0
154.02271	0.7
161.02422	1.3
161.04486	0.5
163.04001	6.9
164.04366	0.6
175.02509	0.5
175.03990	0.6
177.01932	9.3
178.02252	0.3
179.03494	0.5
187.04108	0.4
189.01880	0.5
193.05069	0.4
197.06061	1.4
198.06831	1.2
207.02959	1.1
217.04874	0.5
225.05583	1.2
242.05833	100.0
243.06534	34.1
244.06859	1.9
255.06630	0.8
285.07602	4.1
297.06018	7.5
298.06454	0.5
331.24771	0.6
405.11868	61.2
406.07083	0.7
406.12238	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	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
58.70602	0.4
59.01374	0.8
65.00324	0.7
65.03962	2.2
67.01891	1.2
71.01389	0.8
74.13278	0.4
74.91099	0.4
91.01891	39.6
92.02242	0.9
93.03449	4.4
98.19869	1.2
107.05035	1.8
108.02162	3.2
109.02949	25.4
110.03282	0.8
110.99297	0.5
121.02931	1.6
123.04514	0.7
133.02965	1.3
135.00879	100.0
136.01199	3.1
137.02435	20.2
147.04559	0.5
148.01552	0.4
149.02431	1.3
151.04095	0.6
152.19696	0.5
152.90878	0.5
153.01924	85.4
154.02264	3.2
156.05843	0.5
161.02423	0.6
175.04008	3.1
177.01933	2.7
184.45917	0.5
197.06071	1.0
199.06055	0.4
199.07532	2.4
225.05496	0.8
243.06598	20.2
244.06984	1.3
297.06128	15.5
298.06433	0.9
394.43845	0.5
397.12839	0.5
405.11929	12.7
406.12234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54295	0.2
58.00515	0.3
61.98829	100.0
64.16004	0.3
69.35820	2.0
92.30529	0.3
98.19892	0.4
99.22532	0.3
101.96078	0.3
115.63757	0.3
149.56906	0.3
257.86301	0.3
317.19812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52710	0.8
58.02971	8.1
64.65755	0.8
69.61935	5.1
69.62343	1.5
70.02982	1.8
72.00919	1.4
74.02475	20.2
81.04599	1.1
82.02976	2.1
86.02482	8.7
86.99123	1.4
87.05196	1.0
87.05627	5.3
90.00192	2.8
90.23002	0.8
97.04093	2.9
99.05642	17.7
100.47429	0.9
101.07204	2.6
102.05624	1.4
107.06139	0.9
109.04082	2.1
109.07720	1.0
111.05665	1.2
112.04043	1.5
116.01783	1.7
117.71835	1.0
119.29202	0.9
123.05642	1.2
124.04056	1.4
125.03577	1.5
127.05125	3.2
128.03534	48.1
131.04575	1.2
135.05618	3.7
141.06712	5.4
143.04616	73.8
144.05011	1.3
145.06213	3.5
146.04587	6.9
153.06700	2.9
160.00731	19.8
166.09860	3.3
167.04582	5.3
167.08257	2.6
170.03333	1.0
177.03357	7.0
179.04608	14.8
180.40222	0.8
181.06201	1.2
184.10887	1.3
185.05695	2.5
192.07768	2.0
197.05687	3.1
198.08836	1.0
210.08830	12.4
228.09924	1.1
242.07896	3.1
254.07831	20.2
255.08345	1.2
272.08856	30.3
273.09161	1.3
277.69656	0.9
288.06583	10.2
305.72748	1.1
306.07639	100.0
307.07809	5.7
390.19354	1.0
404.14758	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	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.98829	100.0
68.81936	1.1
69.80099	1.1
92.01481	1.0
98.20661	2.6
128.03493	2.3
143.04604	2.6
183.37599	1.1
211.13387	1.4
222.56421	0.9
272.08978	1.6
306.07626	2.9
369.13345	1.8
403.92157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
61.98829	100.0
63.15114	0.7
69.00492	0.6
70.20589	1.4
71.01388	2.0
73.03677	0.6
74.02473	1.5
78.95922	2.2
80.72791	0.6
82.72372	0.6
83.60962	0.6
85.02989	0.8
86.02485	0.6
87.05649	0.9
88.98842	0.7
89.02447	1.2
99.05634	0.9
115.00412	1.1
128.03539	5.3
133.02965	13.2
134.03326	0.8
134.04611	0.6
135.04533	8.3
143.04608	5.3
160.00650	0.8
161.02432	71.5
162.02812	3.5
175.02582	3.1
175.03888	0.8
177.03342	0.8
177.05605	1.6
179.03473	21.8
179.04936	1.3
180.03903	0.9
203.03415	4.3
210.08809	1.1
221.04445	0.8
254.07828	1.8
272.08966	2.9
281.06808	0.8
288.06653	1.2
306.07614	9.7
307.08221	1.0
341.08737	39.4
342.09192	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	404.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44431	0.9
59.01373	3.2
61.98826	36.7
70.03092	1.6
70.03462	2.2
71.01373	2.5
89.02451	1.4
89.08314	1.0
97.92876	0.8
113.02419	1.4
129.07579	0.9
133.02942	19.2
135.04507	7.2
161.02428	100.0
162.02782	6.4
179.03482	17.4
203.03465	1.7
221.04486	1.4
281.06897	1.2
341.08743	41.0
342.09030	4.4
378.34299	1.1
379.41641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.6
57.81179	1.5
58.00586	1.8
59.01377	25.4
61.98534	2.7
61.98827	34.3
69.03452	1.8
71.00170	3.3
71.01386	12.0
72.99310	16.5
73.02940	4.3
74.02500	1.9
75.00869	36.5
79.02339	1.5
83.01381	2.5
83.05022	2.4
85.02945	20.8
87.00879	4.6
89.02435	5.3
96.95938	1.6
97.02979	2.0
99.00881	1.9
101.02419	2.7
109.02953	4.8
113.02412	2.5
115.00373	21.3
115.04018	1.8
123.04533	4.1
125.02420	2.6
125.09722	2.3
127.04073	1.7
128.03499	4.2
135.03008	17.7
141.45253	1.5
143.04605	4.6
151.03993	2.1
152.41621	1.4
153.09181	1.8
169.12311	5.0
171.10263	36.9
175.02490	21.1
178.99782	1.6
192.34334	1.6
193.12317	4.6
195.13872	18.6
197.11826	32.7
197.15376	1.6
198.12193	1.8
201.11348	8.0
209.11707	2.2
211.13376	4.7
221.11763	4.5
223.13361	4.7
225.11526	1.9
225.14787	1.9
235.13467	3.3
239.12875	18.6
241.10829	1.8
241.14392	8.0
263.12753	2.1
267.12360	4.3
269.13876	3.0
281.10278	1.9
283.11859	45.4
284.12122	2.2
285.13419	100.0
286.13776	6.8
288.06827	2.0
306.07599	5.7
307.11948	2.0
312.59256	1.5
315.14386	10.3
317.19836	2.8
325.12909	6.0
327.09665	2.3
343.13922	9.8
367.14047	1.6
385.15048	1.7
385.22449	2.5
403.19409	5.9
403.24011	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98827	85.6
64.86261	1.1
71.01380	5.3
71.51247	1.2
72.51313	1.4
72.99305	1.2
74.94260	1.3
78.95900	31.3
78.96329	2.2
79.95727	1.6
81.03467	1.3
84.56376	1.1
85.02954	1.8
88.98813	3.3
89.02444	2.6
95.01388	1.2
96.96005	73.6
96.96961	40.0
97.02901	1.4
101.02431	2.1
102.05582	1.2
109.02948	3.4
111.01950	1.2
111.25471	1.3
113.02448	3.8
119.05019	11.2
121.02946	100.0
122.03269	3.9
123.00853	1.3
125.02421	14.3
133.02956	6.8
135.04515	5.1
137.02408	7.3
139.04007	3.2
145.02943	13.6
153.01888	3.0
158.92517	3.4
161.02429	37.4
163.04010	7.4
165.01898	5.5
166.02679	1.5
167.03453	4.4
177.01897	1.3
177.05577	2.3
179.03468	12.0
181.05043	35.9
182.05397	2.5
183.02908	2.5
187.03986	1.6
194.02193	1.3
203.03497	3.4
205.05019	2.0
211.02396	5.8
219.06618	1.9
221.04437	1.5
222.01764	2.1
223.02483	1.7
223.06151	3.6
235.06079	5.2
241.03500	1.4
245.05704	1.6
253.07289	2.0
258.78171	1.3
265.07074	5.1
278.07385	1.1
305.06607	26.5
306.07281	3.5
325.09503	2.3
341.08765	20.3
343.11435	1.6
402.99835	2.0
403.08780	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	403.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77409	0.4
54.91187	0.4
59.01361	1.0
59.99548	0.4
61.98829	5.7
69.98735	1.4
71.01364	0.7
83.01380	2.4
85.02972	0.5
93.03439	1.3
107.01402	0.5
123.04521	0.7
125.02348	0.8
137.02440	24.1
137.06088	0.6
138.02777	0.7
139.04010	1.0
150.03200	0.5
152.03542	0.9
152.04774	15.7
153.02025	0.6
163.03966	1.8
165.01920	19.9
165.05569	1.3
166.02328	1.0
179.03479	1.6
180.04295	5.2
181.05055	19.1
182.05405	1.6
184.03752	7.0
185.74825	0.5
193.05063	0.6
201.11339	0.5
207.02977	1.7
208.03752	67.8
209.04515	24.7
210.04892	1.1
220.17813	0.5
221.04541	1.6
306.07626	1.2
353.08954	0.6
371.09799	100.0
372.10141	8.6
403.12527	1.6
403.23212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35785	1.0
57.03430	2.0
58.62705	0.9
59.01114	1.0
59.01382	15.5
60.46945	0.9
61.98827	15.7
69.23315	8.5
71.01363	2.8
71.05003	2.1
73.02939	2.8
78.95879	2.7
80.05031	2.2
81.03447	1.1
83.01414	1.3
83.04984	1.2
85.02943	2.3
87.04503	1.1
89.02441	2.7
93.03467	1.6
97.06580	1.4
98.19855	1.7
99.05659	1.2
101.02451	1.3
107.01396	1.1
109.06565	1.2
110.41769	0.9
119.03464	1.3
119.90250	0.9
121.02943	1.2
122.06116	6.7
124.07708	1.2
125.02444	1.3
125.09705	1.5
128.03539	1.8
130.02985	2.3
132.04541	11.4
137.02359	1.1
143.04608	2.6
145.02979	1.1
147.03267	2.5
148.04054	1.4
150.05565	3.3
151.00346	1.5
153.09175	1.5
158.02461	4.7
160.04016	6.4
161.04659	1.8
162.05579	2.0
165.01924	1.0
174.05650	1.3
175.02596	1.9
176.03537	9.3
176.07149	3.6
178.99893	1.3
183.09207	1.6
184.07707	2.0
190.05078	11.8
191.05710	1.5
197.11827	1.6
199.08649	1.0
204.02954	2.4
205.03255	1.1
209.07124	1.2
210.09088	1.0
211.08696	1.8
211.12384	3.9
212.05774	2.1
212.10745	3.2
213.06712	1.7
215.11855	3.2
223.08728	2.2
224.07283	1.3
224.09436	8.9
225.06525	1.1
226.07434	3.9
227.08276	6.8
234.04050	2.2
235.05096	1.1
235.61198	1.1
239.08200	2.3
239.11888	21.0
240.10652	4.5
240.12375	1.3
241.09688	7.4
252.05330	1.2
253.06146	15.1
254.06775	2.6
255.07761	2.8
255.11388	7.2
265.09921	2.2
267.07761	4.7
268.08502	7.8
269.09317	1.5
272.08951	1.2
281.09326	8.6
283.10873	50.1
284.11206	4.0
287.10123	1.5
294.06580	2.3
299.06879	1.2
299.10269	1.6
306.07669	3.8
309.08789	20.2
310.09073	2.4
315.13547	1.2
317.19595	2.5
327.09842	42.8
328.10065	3.6
329.43781	1.1
336.64972	1.0
341.11395	4.1
343.21072	3.1
353.07834	2.5
359.12396	3.8
359.20483	1.7
361.22290	11.0
362.22638	1.8
371.08823	49.1
372.09268	5.3
373.22473	1.0
385.22321	1.1
403.11414	100.0
403.23276	27.6
404.11691	11.3
404.23553	3.3
405.15036	1.0
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
54.50126	1.3
55.84744	1.5
57.03451	1.7
59.01381	19.7
61.98830	19.7
65.58317	1.4
71.01379	2.6
71.06176	2.0
73.02931	3.1
78.95907	1.8
80.05051	3.5
87.00867	2.7
107.01469	1.4
109.02951	1.9
109.31129	1.4
111.08150	1.3
115.00372	3.8
116.92858	1.8
122.06122	7.3
124.07734	1.6
125.02448	11.2
128.03511	1.9
130.02948	1.7
132.04564	19.8
137.02440	3.2
139.04016	1.8
143.04654	3.5
146.02428	1.6
147.03242	4.1
150.05606	3.5
153.09148	1.4
158.02443	8.4
160.04030	10.2
161.04643	3.1
162.05620	3.3
163.11301	1.8
165.01909	3.7
167.03448	3.9
172.95229	1.5
174.05566	1.9
175.02556	7.4
176.03522	8.2
176.07080	2.0
179.03394	2.2
183.09380	2.6
184.07663	2.4
190.05086	17.5
198.04259	1.8
201.11212	2.4
211.12360	5.0
212.05896	2.8
212.10812	4.0
213.06596	3.9
215.11839	5.5
219.06653	2.9
221.04436	2.2
223.08739	5.4
224.07300	2.7
224.09482	13.4
225.06464	2.2
226.07401	3.6
227.08278	10.5
234.04077	1.8
239.08270	2.3
239.11894	27.1
240.10182	5.9
241.09753	8.6
250.07610	2.5
253.06172	24.2
253.09047	1.9
253.09811	1.8
253.86212	1.7
254.06744	3.2
255.07710	4.9
255.11368	8.4
256.08594	1.7
265.09827	4.2
265.89981	1.5
267.07755	6.3
268.08585	9.3
281.09265	6.0
283.10889	69.1
284.11121	4.3
305.06644	12.9
306.07465	4.3
309.08817	23.2
310.09119	2.1
315.13522	2.7
317.19623	6.5
327.09836	74.4
328.10101	5.6
341.10934	2.2
343.21115	3.4
353.07721	4.7
354.08542	1.7
359.11960	4.2
359.20724	1.5
361.22299	9.6
371.08817	100.0
372.09219	11.0
403.11191	48.6
403.23196	17.6
404.11649	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	403.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00780	0.5
57.03432	1.6
61.98827	6.7
71.27486	1.2
78.95899	24.4
79.95719	2.1
96.95996	100.0
96.96952	40.5
109.02946	2.0
121.02908	0.7
123.00925	0.8
125.02438	13.3
133.02876	1.0
137.02441	5.5
139.03996	2.1
150.54887	0.7
153.01920	5.3
161.02423	5.9
164.01181	1.2
165.01915	3.5
167.03479	2.8
170.42532	0.6
177.05501	0.9
178.29800	0.6
179.03487	4.8
185.99622	0.6
203.03421	0.9
219.06564	2.5
221.04628	1.3
232.38890	0.7
255.24138	0.6
261.07669	0.7
262.42191	0.6
300.68375	0.6
305.06631	25.3
306.06989	2.1
341.08636	3.2
352.48560	0.6
376.29517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.62767	0.5
61.98832	6.9
69.21339	3.0
69.21770	1.9
78.95902	25.7
79.95735	2.4
81.03431	0.6
83.01330	0.7
96.96010	100.0
96.96962	45.2
101.70299	0.5
103.24740	0.5
106.64978	0.5
109.02953	1.8
111.04546	0.6
123.00877	0.5
124.01668	0.6
125.02446	15.1
126.02847	0.5
133.02960	1.0
135.04469	1.4
137.02434	5.1
138.03357	0.6
139.04027	3.0
149.06076	0.8
153.01932	6.0
161.02426	5.4
164.01164	0.6
165.01904	3.3
167.03462	4.0
169.40279	0.5
175.03915	0.6
177.05493	0.6
179.03481	4.6
191.07167	0.8
203.03542	1.2
203.34985	0.5
219.06619	1.8
221.04509	1.8
261.07657	0.9
305.06635	27.8
306.07050	2.4
341.08878	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	12.2
61.59739	0.3
61.98592	0.3
61.98826	3.8
62.45826	0.3
67.29849	0.3
69.03449	0.5
69.17807	3.3
71.01377	3.0
71.05006	0.5
73.02937	1.6
75.00865	0.5
78.95915	0.8
83.01398	1.7
83.05021	0.6
85.02943	1.3
87.00875	0.8
89.02435	2.7
91.05504	0.7
93.03428	0.5
95.01392	0.7
97.02965	0.4
98.84781	0.3
99.00903	0.5
101.02421	1.6
107.01379	0.6
107.05029	0.3
109.02944	1.2
109.06596	0.5
111.00880	0.6
111.04577	0.9
113.02438	2.6
119.03469	1.0
119.08649	0.5
121.03018	0.3
123.04532	0.7
124.01656	0.8
125.02454	2.8
128.03580	0.7
135.04530	1.6
135.11633	0.3
137.02448	2.5
137.09706	0.8
138.03290	0.4
139.04013	0.7
141.01955	1.5
143.04620	1.0
150.03181	0.4
150.38815	0.3
151.00328	0.5
151.03992	5.0
152.01154	0.5
153.01933	4.5
153.05562	0.9
154.02766	2.3
155.03520	3.1
163.00375	0.3
167.03481	3.3
178.02771	0.6
179.03470	8.6
179.10696	0.5
179.16699	0.3
180.00676	2.4
180.03960	0.3
181.01408	1.4
181.08699	1.5
183.02946	0.4
191.03453	1.1
195.02954	5.5
196.03752	100.0
197.04512	28.8
197.11801	5.2
198.01683	0.6
198.04880	1.2
209.04596	0.6
211.02490	3.2
222.01682	1.0
223.02530	1.1
223.09871	0.6
228.02728	0.6
240.02858	0.6
240.85161	0.4
241.03366	2.8
241.10799	13.7
242.11105	0.8
275.07761	0.4
306.07715	1.5
317.19519	1.0
341.08710	0.7
359.09818	3.4
361.07645	0.9
361.22177	0.9
365.83200	0.4
385.22409	0.5
403.08789	74.8
403.23325	5.1
404.09155	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62563	1.7
58.00580	2.8
59.01375	54.3
69.64278	10.5
71.01382	38.1
72.99298	1.7
85.02926	4.4
87.00886	2.9
89.02438	53.2
101.02438	20.2
113.02448	16.8
119.03494	21.4
131.03412	1.9
143.03513	5.0
161.04546	6.8
165.22371	2.0
166.75365	1.8
175.97559	1.8
179.05608	24.9
196.32155	1.9
213.12965	1.8
233.40085	1.8
303.69806	1.7
341.10846	100.0
342.11130	8.2
357.56552	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	401.145
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	4.8
57.03425	5.0
59.01377	44.1
61.98819	3.9
68.99783	1.1
69.03463	1.8
69.50459	4.9
71.01379	89.3
72.01717	1.2
72.99300	2.3
73.02943	36.8
74.03250	1.2
74.47778	1.2
75.00881	2.9
81.03457	1.6
83.01377	12.6
85.02950	38.9
87.00877	4.7
89.02444	20.8
95.01372	7.2
97.02940	4.9
99.00872	16.7
101.02439	71.4
102.02782	1.6
109.02985	1.5
111.00860	2.4
113.02441	30.0
114.02722	1.4
115.04008	4.5
119.03468	1.7
123.04500	1.1
124.93569	1.2
125.02449	9.0
128.03497	2.0
129.01920	1.7
131.03502	4.2
143.03506	4.3
143.04623	2.5
149.04482	1.5
151.12766	1.1
157.22925	1.0
159.02977	8.7
161.04553	46.7
162.04898	2.1
170.46281	1.2
191.05655	1.7
194.02138	1.3
203.34955	1.2
233.06712	5.9
269.10287	84.5
270.10666	5.4
272.08783	1.5
293.08759	3.0
297.35941	1.0
341.10962	2.9
401.14532	100.0
402.14853	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	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.12104	1.2
71.41745	1.9
71.42074	1.4
75.76543	1.3
79.22614	1.3
124.59467	1.4
163.11256	4.4
174.56015	1.3
339.23398	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53585	1.9
59.01378	57.0
60.99296	2.6
71.01381	38.8
71.20889	5.1
72.99320	2.1
83.01380	3.1
85.02949	6.6
87.00880	6.4
88.98792	5.5
89.02441	62.7
98.19971	2.4
101.02428	21.8
110.88139	2.1
113.02454	15.0
114.60122	1.9
119.03512	21.8
127.98074	2.8
131.03490	3.2
138.03227	5.6
143.03502	4.2
161.04541	6.7
179.05608	27.1
179.07074	4.1
194.02220	5.8
265.07043	3.1
265.98956	2.0
317.79727	2.0
320.09415	1.9
341.10849	100.0
342.11200	9.1
357.08267	3.6
401.07129	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	400.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.1
61.79562	0.6
61.92254	0.7
61.98823	4.6
62.27747	0.5
69.03405	0.7
71.01378	13.6
72.63888	0.6
72.99306	1.5
73.02943	1.5
81.45399	0.7
83.01381	0.8
85.02940	1.3
85.90383	0.6
87.00871	12.5
87.93005	0.6
89.02445	3.9
91.35664	0.6
95.01357	0.6
98.20666	2.4
101.02438	1.2
103.96167	0.7
107.05039	1.1
109.02950	0.7
112.98776	0.8
113.02433	2.0
115.00369	33.5
119.03526	1.0
121.02997	0.6
125.02431	2.3
126.99184	0.6
127.00310	0.8
134.04712	1.0
135.04512	7.2
138.03159	0.6
149.02452	0.6
161.02402	2.1
162.02782	0.8
167.03491	0.8
175.02463	100.0
176.02757	3.0
179.03479	3.8
179.05496	0.6
182.02200	1.1
194.02145	0.9
210.01715	4.1
221.11852	0.7
229.35052	0.6
266.10797	0.6
293.08710	0.6
337.05634	16.7
338.06158	2.3
341.11011	2.0
373.07861	0.8
401.07196	3.2
401.12344	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	400.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42871	0.6
57.03485	0.7
59.01388	3.6
61.98829	100.0
69.34954	4.9
70.99575	1.0
71.01374	4.2
72.97551	1.5
73.02939	0.9
74.99090	2.9
75.00889	1.8
78.50101	0.7
80.78957	0.8
83.01402	1.1
83.05034	1.0
85.02951	1.2
89.02467	1.5
99.00909	4.3
100.97025	3.7
102.98582	5.4
109.02935	1.5
111.00914	3.3
112.98798	7.6
113.02444	1.0
114.98582	6.3
115.00391	2.2
119.04995	0.7
121.14552	0.7
125.02455	0.7
128.96526	4.9
129.01978	1.5
135.03006	6.5
137.02469	1.2
140.70396	0.7
142.99864	5.4
145.01433	1.1
145.03003	1.5
147.51587	0.7
161.02454	2.3
173.00900	12.2
175.02524	2.2
195.02858	0.9
206.99666	24.3
251.40591	0.7
275.05792	1.0
289.07263	1.0
301.03748	1.7
301.07144	1.2
305.06992	11.7
337.06000	0.7
341.10870	1.5
386.55576	0.7
400.09198	1.5
401.22122	1.5
412.89355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26783	2.2
58.69114	2.0
59.01376	36.2
60.99321	2.4
61.98832	35.9
64.52503	1.9
68.99823	2.9
69.56082	5.2
69.56502	7.5
69.64146	2.1
71.01383	26.9
72.88613	2.0
72.99331	4.3
73.02917	4.2
75.00879	2.4
78.95918	4.3
79.01870	2.0
82.54633	2.0
83.01389	4.5
85.02952	8.4
85.32903	2.2
87.00877	53.2
88.98810	29.6
89.02443	31.4
94.98106	5.5
96.96024	3.9
98.20625	4.7
99.00926	2.3
101.02440	15.3
109.02983	2.6
110.98552	3.1
113.02449	12.3
119.03496	12.7
119.05048	2.9
123.00871	4.8
123.04511	2.3
125.02441	4.0
128.76100	2.2
133.02826	2.1
135.04524	4.1
137.02434	4.9
138.03271	12.3
139.04095	2.1
143.03514	2.2
149.02460	3.8
151.00377	2.1
161.02446	8.1
161.04562	4.6
163.03999	20.3
164.04799	9.2
165.05545	5.0
166.02695	9.0
167.03412	4.1
170.02232	4.8
175.04005	3.4
176.04813	9.2
177.01955	8.2
177.05319	2.9
178.06319	17.7
179.03529	12.2
179.05598	14.0
179.07138	21.0
181.05099	8.2
182.02374	2.6
187.04004	2.7
190.02763	3.3
191.03526	18.1
191.07132	6.9
192.04265	3.4
193.05048	6.6
193.08844	2.4
194.02251	8.6
194.05807	6.7
203.03467	5.9
204.04285	2.8
205.05128	6.2
206.05792	6.0
207.06706	3.2
209.08113	11.8
210.01730	7.4
216.04292	2.5
218.05765	3.4
219.02985	4.0
219.06392	3.0
221.04642	5.9
221.08284	5.8
234.05380	3.5
236.06972	4.7
237.07642	4.2
238.04774	3.0
247.02489	5.0
247.06187	6.3
249.07668	5.0
250.04893	2.6
251.09187	2.6
261.07745	2.2
262.04877	8.6
265.07162	52.1
265.09872	3.2
266.07736	4.0
277.07141	29.4
295.08228	70.0
296.08606	4.1
303.04959	2.7
325.09305	2.5
335.15976	2.0
341.10873	56.2
342.11279	3.6
355.10379	17.8
356.74606	2.1
357.08459	6.2
383.09961	7.5
401.11020	100.0
402.11566	10.1
402.15985	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	400.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
59.69875	0.3
60.68225	0.3
61.98830	100.0
65.80501	0.3
69.88593	0.3
70.26823	0.5
70.27153	0.6
71.01398	0.6
89.11541	0.3
94.46708	0.3
99.00885	0.9
115.00389	1.3
133.55620	0.3
139.00352	0.4
149.06100	1.5
161.02423	1.9
165.01888	0.5
175.02524	1.3
177.01941	3.0
206.02295	0.5
219.03131	0.4
233.04503	2.6
237.04164	0.4
277.03543	5.8
278.03940	0.4
319.04608	2.0
337.05643	2.2
400.05234	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	399.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	9.6
59.01373	2.0
61.98828	100.0
69.60850	6.3
71.01410	1.6
72.00894	1.4
74.02473	16.5
75.00230	1.1
75.00871	5.2
78.95883	1.4
80.66777	1.0
82.02982	2.4
86.02470	8.7
87.05640	3.7
88.04016	1.7
88.93404	1.0
94.06613	2.3
96.99924	4.7
97.04109	2.5
98.19901	2.1
99.00844	2.1
99.05640	15.3
101.07191	3.4
102.05604	3.1
107.06176	1.1
109.04079	3.2
112.04012	2.4
115.00375	3.5
123.05693	2.1
126.03823	13.6
127.05093	2.0
128.03532	53.4
129.03871	1.4
133.02956	3.3
135.04594	1.6
135.05656	6.0
137.07130	2.2
141.06737	1.4
143.04616	66.8
144.04944	2.2
145.06203	3.4
146.04549	7.8
149.06033	1.3
149.07115	1.1
153.06718	3.3
157.01266	1.1
160.01669	1.5
161.02452	28.9
165.01787	1.2
165.08385	1.0
166.09846	3.4
167.04640	3.2
167.08252	4.1
171.04039	1.5
175.02483	1.7
177.01947	4.3
179.04623	12.9
181.06235	1.5
185.05730	2.0
197.05653	1.9
201.11346	1.4
210.08823	14.5
233.04599	2.0
237.04059	9.3
254.07816	28.3
270.09149	1.7
272.08865	40.3
273.09186	2.4
277.03357	6.1
312.55008	1.3
319.04541	2.9
337.05670	3.3
381.12225	3.8
389.98190	1.2
399.09302	2.6
399.13464	41.1
400.05249	2.7
400.13910	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98827	0.7
70.25402	0.6
71.27676	0.3
74.04016	0.3
77.86776	0.3
79.17623	0.3
85.81283	0.3
96.66007	0.3
98.19962	0.3
105.96192	0.3
183.04482	0.5
197.06038	1.2
209.06097	2.2
211.03966	0.5
213.05400	0.4
225.05556	1.4
237.05545	3.0
252.23131	0.3
253.05031	0.9
254.05867	0.6
254.94286	0.3
255.06538	0.4
281.04517	100.0
282.05063	15.0
283.06082	2.7
306.05252	1.3
307.05966	0.7
367.11810	19.2
368.12146	2.5
399.14630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56547	0.5
59.01101	0.9
59.01378	8.7
60.53949	0.5
61.98827	100.0
64.92614	0.5
70.52065	0.9
70.52419	1.0
71.01380	6.2
72.99299	0.9
73.02956	1.5
75.00902	0.6
83.01398	1.4
85.02940	2.3
87.00872	2.7
89.02426	4.4
95.01360	0.7
97.02991	0.6
99.00884	4.2
101.02428	2.7
109.02948	2.7
109.62380	0.5
111.00848	0.9
113.02467	2.4
115.00369	9.2
119.03526	1.1
123.04521	0.7
125.02452	1.4
133.02988	1.9
135.04517	3.3
137.02493	0.7
138.03236	1.1
139.00400	1.6
141.01906	0.6
147.04533	0.9
149.02524	0.6
149.06071	5.7
151.03998	1.0
153.01935	0.7
157.01425	1.0
159.02998	1.1
159.04555	0.6
161.02422	11.2
161.04572	1.2
161.06050	0.9
162.02853	1.8
163.04042	0.5
165.01953	1.2
165.05568	0.6
166.02718	0.6
167.03534	1.1
174.03185	0.5
175.02490	11.0
175.03990	1.5
176.02959	0.6
177.01941	9.4
177.05560	0.9
179.03479	1.7
179.05635	1.0
179.10756	0.7
187.03983	0.5
189.05586	2.8
191.03558	0.7
193.05046	1.0
194.02469	0.8
194.12137	0.4
201.05611	0.6
205.05037	2.2
206.02190	1.2
210.01639	0.6
219.03131	1.0
219.10315	0.6
231.06738	0.9
233.04512	7.5
237.04042	2.1
249.07692	1.5
269.10330	1.4
275.05539	2.3
277.03497	14.8
278.03964	1.0
293.06604	6.2
294.07050	0.5
297.08069	0.5
319.04510	5.0
320.05121	0.6
337.05594	18.8
338.06152	2.0
341.10834	4.2
357.08701	0.7
373.07785	1.0
400.05240	1.5
401.07364	1.5
401.13046	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	399.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01382	24.2
61.43001	1.8
61.98818	5.4
69.03472	3.2
70.09587	7.9
71.01369	14.8
72.99310	4.0
74.96400	1.9
78.95882	2.4
83.05027	2.2
83.59306	1.9
85.02954	10.4
89.02440	12.1
97.06556	4.4
101.02454	11.4
111.00869	6.9
113.02436	7.0
119.03497	6.4
137.02422	5.6
159.52692	2.1
165.01855	10.0
169.51939	2.2
170.02309	2.0
171.10249	16.5
175.14867	3.1
179.03448	6.1
183.13893	4.5
207.02965	7.1
209.08195	8.7
209.11740	2.5
211.13379	17.4
212.13693	2.1
219.13904	6.1
221.11595	2.8
229.14394	10.4
236.06871	18.1
237.07629	8.0
249.93468	2.1
309.20642	2.8
327.21750	100.0
328.22021	8.5
349.76489	1.8
357.22653	3.2
399.13284	24.0
399.20071	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	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88704	0.3
59.01419	0.8
60.73663	0.3
71.01440	0.7
72.21101	0.4
76.00517	0.4
79.95821	2.4
85.31741	0.3
95.95271	0.6
96.96009	19.8
117.02041	0.7
122.97672	1.1
123.07990	0.4
125.67269	0.4
135.03062	0.7
152.97771	0.5
279.23264	100.0
280.23611	9.3
397.22418	22.6
397.27408	0.7
398.22571	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	398.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01398	0.8
61.98829	100.0
71.01392	0.4
78.95898	5.6
78.96330	0.5
82.95413	0.4
96.96957	1.6
121.02958	0.4
125.02443	7.7
133.02968	0.6
137.02449	0.6
151.00354	0.5
161.02467	1.3
164.01157	0.5
165.01962	1.0
167.03484	0.5
172.01622	0.3
177.01907	5.3
197.04585	0.7
262.03641	0.4
298.91171	0.4
303.05112	0.5
335.07800	0.5
352.03351	0.3
357.08936	1.1
398.10324	0.7
398.18567	0.4
399.09567	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	398.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
61.98830	100.0
71.01369	2.6
71.52476	1.1
80.36165	0.8
83.05008	0.9
85.02953	2.0
89.02451	2.6
92.65102	0.8
93.03455	9.2
96.96030	1.3
101.02425	1.7
109.02908	1.1
111.04521	2.5
113.02423	1.1
116.56570	0.9
130.22847	0.9
132.02226	1.3
133.02942	6.8
134.03751	2.3
135.04524	61.9
136.04840	1.7
137.02461	5.3
145.02928	2.7
155.03499	2.1
160.01674	1.7
161.02434	26.0
162.02737	1.1
173.04443	1.9
175.04056	1.3
177.05647	1.0
179.03488	64.2
180.03880	2.7
186.73001	0.9
191.03490	1.9
198.00894	1.0
211.07671	1.3
220.65579	1.0
231.02904	1.0
235.02290	1.3
236.02643	1.1
237.03839	2.1
281.62503	1.0
310.36111	1.0
323.07599	2.8
335.07703	69.0
335.75784	1.0
336.08084	4.3
355.08188	2.1
361.65790	1.0
398.08575	2.6
399.08566	2.1
399.12936	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.3
60.99301	12.2
61.98819	1.8
69.29040	2.2
69.29465	3.5
71.01365	0.9
88.98800	100.0
91.01101	0.7
96.28110	0.6
101.02400	0.9
112.27345	0.6
125.91899	0.6
149.72226	0.6
150.00200	0.7
199.13362	1.5
309.86725	0.7
327.20502	0.7
411.01953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03442	1.0
59.01380	100.0
60.01719	1.4
61.87176	0.7
61.98836	5.0
64.22913	0.7
66.24271	0.7
71.01380	17.4
71.52068	1.1
72.57308	0.6
72.99343	1.0
73.02953	5.8
75.00877	0.7
78.95909	1.0
81.72816	0.7
83.01395	3.2
85.02944	7.5
87.00916	0.8
89.02438	5.3
95.01396	0.9
99.00861	3.2
100.03699	0.6
100.04535	0.8
101.02442	15.6
113.02440	7.6
119.03513	1.3
125.02467	0.8
129.52919	0.6
143.03566	1.1
149.42384	0.7
159.03030	2.3
161.04561	14.9
182.02228	0.7
188.87509	0.6
202.77066	0.7
215.95424	0.6
233.08257	0.9
327.19852	0.6
335.20761	39.2
336.21164	3.6
395.16940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
63.31517	0.2
68.99349	0.2
69.86539	0.2
71.01373	0.9
75.00862	0.4
78.95900	0.3
83.05022	0.2
89.02428	0.2
117.01933	0.7
127.07644	0.2
135.02960	0.9
152.99591	0.4
194.87431	0.2
233.20195	0.2
233.22717	0.4
259.20575	0.5
275.20120	0.6
277.21698	100.0
278.22040	10.1
291.86877	0.2
395.24377	2.6
396.24728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.9
59.14528	0.8
60.99306	1.2
61.17388	0.9
61.98828	100.0
69.31418	3.9
69.31847	3.7
73.27227	0.8
77.03983	1.1
88.98798	7.5
89.96155	0.8
93.03465	2.1
97.02943	7.4
109.02950	0.9
121.02969	7.8
137.01471	1.3
137.02446	17.3
163.04077	0.9
165.01921	70.2
166.02260	3.9
190.99869	2.1
192.00586	1.5
195.81207	0.9
197.04533	21.8
198.04976	1.2
233.00784	1.0
234.01610	5.7
235.02509	4.9
271.63470	1.1
301.03513	15.6
302.03885	1.1
333.06116	18.6
334.06473	1.7
397.07593	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	397.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04369	0.3
55.78436	0.4
60.33241	0.3
65.88966	0.3
67.31573	0.3
71.52414	0.6
75.83068	0.3
83.01377	1.0
91.01891	0.5
119.05048	0.4
122.03681	0.5
135.00842	1.5
146.03598	0.4
150.03221	9.1
153.01906	0.5
161.02411	0.5
162.03203	0.4
163.00372	1.4
163.03969	1.0
177.01895	0.4
178.02708	2.5
189.01886	0.4
190.02628	0.8
190.99829	3.2
191.03433	0.8
192.00623	7.2
193.01323	1.1
205.01402	1.6
206.02196	8.4
207.02489	0.4
218.99294	3.4
233.00847	2.3
234.01672	100.0
235.02402	34.2
235.04971	0.6
236.02705	2.0
265.08737	0.3
266.55426	0.4
316.62927	0.3
336.01123	0.3
397.07724	69.9
398.08032	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	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83958	67.2
61.98819	100.0
71.51173	70.5
78.27125	58.0
146.36932	67.2
230.68297	74.0
278.59811	61.0
316.76282	61.6
341.39270	65.5
373.79379	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	12.3
68.66339	0.8
71.43020	1.4
88.98804	100.0
89.99124	1.0
103.97038	0.5
109.12541	0.6
123.89002	0.7
131.10342	0.5
134.51216	0.6
157.39600	0.5
213.94943	0.6
321.20322	0.6
364.55267	0.6
383.73642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	12.7
69.81934	3.4
76.08773	0.7
87.92520	1.1
88.98801	100.0
89.99139	1.3
96.95990	0.6
96.96967	0.8
103.92020	0.9
104.92820	1.1
117.48284	0.6
125.02402	0.8
129.41428	0.6
135.04533	0.8
137.02367	0.7
153.02000	1.0
171.94640	2.2
173.26347	0.7
181.01479	1.0
201.82518	0.7
305.06720	0.7
395.10077	1.0
396.03348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
58.30859	0.4
59.01379	100.0
60.01728	1.0
61.98838	1.8
71.01377	7.4
71.53274	0.5
85.02969	1.5
87.00888	0.9
89.02444	13.4
101.02440	3.6
108.10730	0.5
108.70658	0.5
113.02438	3.0
115.94263	0.4
119.03508	4.4
131.03467	0.5
143.03503	1.2
161.04597	1.3
179.05649	1.7
254.33397	0.5
254.98671	0.5
323.14566	0.5
331.26581	0.5
388.84531	0.5
393.15771	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.9
58.84750	2.3
59.01374	57.6
61.98813	8.4
71.01376	53.0
72.99290	2.5
83.01397	2.9
85.02930	7.1
87.00831	3.0
89.02442	73.2
96.74300	2.2
101.02435	13.0
113.02461	14.5
113.70692	2.4
115.09940	2.5
119.03486	9.1
143.03470	5.8
153.01901	2.6
161.04549	4.4
179.05643	22.3
183.13863	15.3
195.13963	12.3
213.14937	100.0
214.15311	8.1
215.04236	2.4
309.80081	2.5
370.05576	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	1.0
61.98842	0.8
62.41023	0.4
71.01382	3.7
71.52170	0.4
73.02929	1.1
83.01415	1.1
84.10213	0.4
85.02969	1.5
85.62901	0.4
88.32667	0.4
89.02453	0.9
99.00894	1.1
101.02441	3.1
113.02420	2.0
127.91402	0.4
148.00665	0.4
157.01839	0.5
161.04567	2.5
195.06587	2.0
235.58810	0.4
285.04041	1.1
290.41556	0.5
333.19168	6.1
334.19470	0.6
392.46234	0.5
393.15631	1.3
393.21045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
56.21692	0.4
57.03439	2.3
58.00598	0.8
59.01375	27.2
60.01709	0.4
61.94824	0.4
61.98827	4.2
69.03443	0.7
69.77016	1.7
71.01378	38.4
72.01739	0.6
72.99303	1.0
73.02943	22.4
75.00869	1.2
79.34523	0.4
80.81196	0.4
81.03455	0.6
83.01385	7.3
83.80156	0.4
85.02945	20.2
86.00095	0.4
86.03268	0.4
87.00858	2.6
87.28123	0.4
89.02445	8.5
95.01387	2.8
97.02961	2.1
98.19968	0.4
99.00871	8.0
99.08157	0.6
101.02438	37.9
105.26522	0.4
111.00881	0.9
113.02449	17.1
115.04005	1.1
119.03448	0.5
124.07667	0.4
125.02450	2.3
129.01909	0.9
131.03493	2.3
134.05737	0.5
135.57607	0.4
143.03514	1.9
143.04510	0.4
149.04576	1.2
157.08719	0.7
159.02989	2.9
161.04549	17.5
191.05600	0.6
195.07765	1.3
205.03568	0.5
233.06683	1.3
261.13406	54.2
262.13739	3.1
293.08667	0.6
305.12360	0.5
330.99130	0.4
333.15561	3.4
374.06381	0.4
393.17627	100.0
394.17911	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	393.1553
Annotation	Queenslandon
Peak:m/z	Relative Intensity
50.95844	0.6
57.03428	2.1
59.01376	26.1
61.98829	5.0
65.00313	2.0
69.03460	1.2
71.01372	2.3
73.02953	0.7
81.03460	1.2
83.01392	13.5
84.01735	0.7
85.02956	3.5
87.04496	1.8
88.98794	1.2
92.99847	0.8
93.03437	1.5
95.01378	3.6
95.05005	2.8
95.65350	0.6
98.00092	0.8
101.02435	1.5
107.01382	2.0
109.02959	1.3
111.00874	1.0
113.02484	1.5
118.14871	0.6
119.05029	6.0
120.99640	3.9
121.02924	0.8
121.06528	0.7
125.02419	1.4
135.04509	2.4
136.01685	1.5
137.02425	9.0
141.01961	1.2
145.02911	1.5
149.45029	0.7
151.00346	7.4
151.03882	0.8
152.42026	0.7
153.01984	3.3
155.03502	3.0
159.03006	0.7
159.04370	0.7
161.02374	0.8
163.03947	0.7
164.01160	0.8
164.27916	0.7
165.01894	0.8
166.02614	1.0
177.12828	2.4
179.03491	1.3
181.01450	4.0
181.03824	0.7
182.02197	17.1
183.02499	4.7
185.06035	0.9
188.04752	0.7
191.03438	0.6
203.10815	0.9
203.14432	1.5
211.13440	4.1
219.13838	3.5
221.11882	4.9
221.15392	1.0
227.06999	1.0
232.03763	1.1
235.13249	1.0
235.17033	0.9
237.11212	1.8
237.14925	5.4
238.02913	1.5
247.13399	2.4
261.14893	1.4
263.12912	1.5
269.11807	0.7
271.06097	11.0
271.13519	1.4
272.06516	1.1
273.11377	0.9
277.18216	0.7
279.15970	1.4
285.03818	1.1
287.12900	2.1
289.11252	0.7
289.14520	2.4
291.12393	1.5
301.03552	0.8
305.13849	1.6
305.17358	0.9
306.14136	0.7
307.15405	1.2
308.42569	0.6
313.27948	0.7
315.12341	1.5
330.09045	3.9
331.15408	4.8
333.13351	1.1
333.18985	1.5
347.14920	2.6
349.13098	3.1
349.16318	3.3
357.13525	0.8
375.14465	10.1
393.15521	100.0
394.15817	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	393.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
58.00591	4.1
59.01380	88.0
61.98824	6.4
69.03456	2.7
69.32532	7.0
69.32951	4.5
71.01380	65.5
72.99312	5.1
73.02942	14.7
75.89162	1.4
81.03449	1.8
83.01385	12.0
83.05019	1.5
85.02953	14.5
87.00869	1.6
89.02444	100.0
93.03442	1.4
95.01394	6.1
97.02959	2.2
97.19856	1.4
98.19927	2.4
98.50658	1.3
99.00876	26.8
99.01466	2.6
100.94578	1.4
101.02444	38.1
113.02440	17.4
119.03484	15.7
125.02463	5.2
131.03503	15.7
135.04652	1.4
135.59613	1.4
137.02455	4.2
141.01917	10.8
143.03499	4.7
149.04546	56.9
150.04883	2.0
155.03455	2.4
161.04550	4.0
166.99944	1.8
169.01447	1.7
174.52521	1.5
177.12794	1.8
179.05624	9.2
181.01512	2.0
182.02159	7.6
191.05606	11.5
219.13800	1.9
221.06613	2.0
221.11880	4.2
237.11266	2.4
237.14955	2.4
251.07681	2.7
261.67041	1.4
263.13144	2.0
287.12946	1.9
289.14444	1.9
305.14270	1.7
349.12784	5.6
375.05951	3.6
393.15225	76.5
393.28778	4.1
394.15970	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	393.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01384	6.7
60.82869	0.5
60.99300	0.7
61.98816	1.5
63.02389	2.4
65.00322	7.4
70.66622	1.2
71.01389	1.1
72.99284	0.5
73.02956	1.1
76.79938	0.7
82.28077	0.6
83.01385	6.5
85.02947	0.7
88.98813	6.1
93.03441	4.9
101.02482	0.7
107.00636	0.8
107.01377	15.8
109.02927	1.1
113.02444	0.8
113.19906	0.6
119.05022	43.8
120.05377	1.4
120.99648	27.0
121.02910	0.5
123.04588	0.6
125.02412	3.8
133.03062	0.6
137.02394	0.6
143.04976	1.2
145.02908	1.6
151.00356	54.1
152.00699	1.8
153.01933	0.8
161.06090	0.7
165.01898	2.3
169.01421	1.1
172.77414	0.6
177.01945	2.4
181.03758	0.9
182.02184	2.4
185.05983	1.4
187.04008	3.1
198.20943	0.6
227.07130	3.1
231.06612	1.0
247.13475	0.7
253.05879	0.6
271.06094	100.0
272.06421	8.3
278.07315	0.6
285.04047	0.9
313.10699	0.8
323.67300	0.6
345.08209	1.0
375.14655	0.7
379.64630	0.7
393.15524	9.9
393.20682	0.9
393.27310	0.8
394.15884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	48.6
61.98826	100.0
69.11275	3.7
69.19406	32.0
71.01373	15.3
73.02941	5.0
85.02953	8.3
85.10896	3.6
87.00855	3.2
89.02442	8.1
101.02422	12.5
109.15096	3.5
113.02402	4.0
161.04543	4.7
165.01729	3.5
167.03441	10.4
168.03806	10.8
192.03767	5.0
231.06566	6.2
261.13370	12.1
330.09045	11.1
333.15497	12.2
370.14197	3.8
393.08118	11.4
393.13080	60.7
393.17725	7.7
394.13400	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	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98829	100.0
71.01373	1.2
71.50957	0.7
82.31709	0.6
88.98827	2.3
96.96030	0.8
96.96952	0.8
123.04505	3.2
128.03593	0.7
146.05617	0.6
153.01945	1.0
167.03491	1.4
218.93216	0.6
329.08981	1.9
354.60318	0.6
402.87994	0.7
418.13251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	2.3
61.98824	5.8
62.93883	1.2
70.41821	3.0
70.42188	2.9
77.03335	1.5
104.10738	1.3
129.84412	1.3
137.68275	1.5
202.87880	1.5
204.02867	1.7
250.83572	1.3
348.14349	1.9
393.09756	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	392.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78043	0.2
53.05090	0.2
53.48449	0.2
57.20968	0.3
61.98827	100.0
63.05117	0.3
69.31812	0.3
69.52097	0.3
69.85438	1.4
78.49709	0.3
104.83047	0.3
111.10450	0.3
123.04523	1.1
125.02479	0.4
144.86920	0.3
150.93910	0.2
167.03485	4.7
168.03946	0.3
329.08865	0.8
360.33765	0.3
394.47339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
58.98911	0.5
59.01367	0.9
61.98828	100.0
65.47540	0.6
69.33778	4.6
69.34108	0.7
71.01403	0.6
72.95090	0.5
78.18217	0.5
78.67924	0.5
80.13748	0.5
81.03453	0.7
83.01360	0.8
86.02496	0.6
87.04575	0.6
89.94878	0.5
123.04507	6.9
125.02477	1.9
167.03496	30.5
168.03903	1.9
181.05142	1.3
191.03484	8.7
209.04597	2.2
209.34782	0.6
221.04529	0.7
271.68369	0.6
305.18005	2.2
312.64548	0.6
329.08774	18.0
330.09137	1.4
392.21335	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	391.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65228	0.4
56.23963	0.4
57.03447	5.3
58.00602	0.5
59.01378	2.0
60.16341	0.3
61.98821	1.0
69.03429	0.4
75.80748	0.3
78.30408	0.3
87.04514	2.9
97.06572	0.8
102.98598	0.5
109.06592	1.0
111.08147	1.3
113.09743	0.5
118.20673	0.3
123.08160	3.7
127.11271	1.4
129.09169	0.4
135.08160	1.4
137.09740	2.2
138.06883	0.8
139.11270	0.9
141.09210	1.0
143.10785	0.5
149.09727	1.8
151.11281	0.4
153.09233	2.6
155.10756	2.1
157.12289	0.5
167.10773	1.8
169.12300	1.0
171.13757	0.4
173.11859	0.8
182.02187	2.6
183.02966	2.6
184.10959	0.5
187.13368	2.0
203.04022	0.3
217.14415	1.1
263.20160	0.4
266.44308	0.4
281.21262	0.5
281.50388	0.3
299.22226	0.6
329.08749	3.4
343.24820	1.0
345.26404	2.1
391.26984	100.0
392.22131	0.6
392.27338	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
58.00618	0.3
59.01377	1.8
60.54007	0.3
61.98822	2.9
63.92311	0.3
70.84580	0.3
71.01370	0.5
71.52570	0.5
73.02943	0.9
83.01395	0.3
85.02930	0.5
85.06561	0.8
87.04510	5.3
97.06575	0.4
101.06085	0.4
111.51860	0.3
125.09609	0.4
139.11276	1.3
141.12866	0.6
157.12317	1.1
161.04692	0.4
161.88791	0.3
169.12299	0.6
185.11815	4.6
213.11285	0.4
214.12155	0.4
215.12860	4.7
216.13139	0.4
227.16425	0.4
237.18762	0.4
243.15967	2.5
250.20451	0.3
255.15929	0.4
262.84613	0.3
273.20776	1.1
285.20764	0.5
301.20209	1.2
327.21545	0.6
343.25037	0.6
345.22858	3.6
355.24765	0.9
359.24445	1.2
371.24393	1.2
373.25870	4.9
374.26294	0.4
389.25351	1.8
391.26956	100.0
392.27338	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	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.9
59.01368	4.1
61.98830	32.0
69.39460	8.5
73.02971	1.1
80.94409	1.0
81.57642	1.4
89.40898	1.2
94.87639	1.1
102.98595	1.4
123.08204	2.1
124.13811	1.1
137.02423	2.9
140.53804	1.2
141.01929	2.1
153.09181	2.5
155.10800	1.3
165.01915	5.2
165.98965	1.1
181.01430	3.1
182.02196	76.7
183.02963	63.8
184.03282	3.3
187.13391	1.5
291.74252	1.6
305.84833	1.6
329.08759	100.0
330.09195	10.4
391.26971	42.0
392.27325	42.0
393.27380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29829	0.5
59.01374	100.0
60.01693	0.6
60.91773	0.5
64.02775	0.5
71.01369	5.0
72.14656	0.4
73.02955	0.7
73.26501	0.5
78.95908	1.5
85.02966	1.4
87.72181	0.5
89.02446	6.1
93.38771	0.4
98.18495	0.5
101.02426	3.1
113.02438	2.3
119.03494	3.0
134.04715	3.2
135.49144	0.5
149.04590	0.5
161.04568	1.6
179.05667	1.4
229.04974	0.5
270.70837	0.5
307.26282	0.5
331.17496	0.7
391.19571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01856	0.6
57.03453	1.0
59.01377	100.0
60.01732	0.9
61.98839	3.2
71.01377	15.7
72.99320	0.7
73.02948	3.1
81.03449	0.6
83.01371	1.7
85.02947	4.1
87.00892	0.9
87.04562	0.7
89.02436	16.1
93.02188	0.7
95.01409	1.0
99.00897	0.8
101.02437	11.6
112.98792	1.1
113.02448	6.9
113.72676	0.5
119.03493	7.4
123.04517	0.7
125.02411	1.6
130.08757	0.9
133.29892	0.6
142.99879	0.9
143.03513	1.2
145.02950	0.7
161.04543	2.0
161.05879	0.7
179.05614	1.4
182.02165	0.7
211.13448	0.9
229.08672	0.7
319.04575	0.7
331.17566	2.1
373.18588	4.8
391.19690	85.6
391.26810	4.0
392.20142	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03445	0.9
59.01376	100.0
60.01706	1.1
61.98827	1.5
62.90114	0.4
65.00328	1.4
67.40647	0.3
69.85800	1.9
71.01377	8.1
73.02940	2.2
78.95911	1.7
83.01376	2.8
85.02942	2.6
87.00945	0.4
87.23152	0.4
89.02442	4.1
95.01370	0.9
96.96898	0.5
98.27630	0.3
99.00880	1.0
101.02435	6.3
107.01382	2.8
113.02460	3.4
115.03996	0.7
116.92816	0.5
117.01940	0.7
119.03506	1.5
119.05053	2.0
121.02946	0.6
129.27936	0.3
130.08716	0.4
134.04741	2.5
143.03427	0.5
143.05023	1.0
145.02982	1.9
150.23909	0.4
151.00351	6.5
151.11259	0.5
159.02982	0.4
161.04544	3.2
161.06046	1.2
166.99785	0.5
185.05992	1.9
211.13335	1.8
228.07800	0.8
229.05029	22.2
230.05367	0.9
255.08849	0.6
257.06897	0.4
271.05853	3.8
271.08636	2.8
303.03418	0.5
319.48270	0.5
331.17609	9.3
332.17996	1.0
391.12964	2.9
391.19699	16.0
392.19995	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	2.0
64.73185	1.0
66.17857	1.1
69.91176	4.4
69.91544	1.9
72.52264	0.9
131.69032	1.0
231.42488	0.9
285.60638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48658	1.2
58.02975	9.9
59.01373	4.5
61.98829	7.7
63.99236	1.9
64.53680	1.1
64.94052	1.2
68.64539	1.1
69.40102	5.3
69.40515	3.4
71.17987	1.2
72.00898	1.3
74.02469	20.4
78.95889	1.9
82.02967	2.1
84.04572	1.3
86.02474	8.8
86.06095	1.7
86.99062	2.0
87.05643	5.9
89.02402	1.6
90.00185	1.9
93.27294	1.2
96.96014	1.9
96.96964	3.2
97.04064	1.9
98.19911	2.8
99.05638	23.2
101.07190	5.0
102.05589	2.3
107.06174	1.5
109.04070	2.2
109.07697	1.7
112.04034	2.6
123.05634	2.4
124.04024	1.6
125.03548	2.8
127.05134	4.2
128.03534	58.0
131.04597	1.5
135.05614	5.9
137.07187	2.0
141.06691	5.4
143.04619	83.3
145.06168	3.0
146.04591	7.1
153.06656	4.9
160.00734	19.8
166.09862	3.7
166.11171	1.4
167.04596	5.1
167.08253	2.6
177.03418	9.2
179.04631	16.4
181.06149	1.6
185.05647	2.7
192.07814	2.2
194.00035	1.2
197.05708	3.7
198.08775	1.4
210.08820	14.8
228.09943	1.5
242.07831	1.5
254.07819	24.6
256.48694	1.2
272.05853	1.8
272.08838	32.0
273.09113	3.2
288.06534	12.7
289.07144	3.9
306.07642	100.0
307.07819	5.6
390.13412	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	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25484	0.6
57.69229	0.6
59.01372	2.6
60.93121	0.6
61.98829	100.0
67.23615	0.6
67.30005	0.6
71.07143	1.5
80.96495	0.6
87.98325	0.5
117.50957	0.7
168.37875	0.7
176.77254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98828	100.0
66.50362	0.5
69.32695	4.0
73.36327	0.5
91.50500	0.4
98.20599	0.9
100.00565	0.7
106.70140	0.4
114.17872	0.5
124.67381	0.4
170.65947	0.5
197.11971	0.7
226.92592	0.6
227.92845	1.0
228.92226	3.1
299.35730	0.5
327.21866	1.8
333.33234	0.5
390.97699	0.8
391.13620	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	389.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63041	0.4
57.03443	1.2
59.01387	6.3
59.30862	0.4
61.98819	1.9
70.70193	0.5
71.01377	1.1
71.05006	0.6
71.07980	1.0
73.02938	1.9
83.05018	0.9
85.02959	0.5
87.04508	0.8
89.02444	0.6
97.06612	1.0
101.02422	0.5
109.02946	0.5
111.08173	0.6
119.08660	2.4
123.08131	1.0
125.09763	0.9
129.09143	0.5
137.09727	2.6
139.07623	0.5
139.11255	2.2
141.12856	0.9
157.12347	2.1
165.12834	1.6
167.10774	3.7
169.12312	1.8
177.01740	0.5
183.13869	4.3
185.11824	6.5
190.42812	0.5
208.03687	0.8
214.12053	0.6
215.12869	16.3
216.13225	1.3
227.12874	5.2
243.15891	0.6
301.20187	2.1
311.22342	1.9
327.21753	1.8
329.23264	11.0
330.23602	1.1
341.23352	5.0
342.23572	0.9
345.22583	3.0
347.23846	0.8
353.23410	0.8
359.24280	2.0
371.09985	0.6
371.24353	4.4
389.25430	100.0
390.11768	0.7
390.25797	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15429	0.4
58.66388	0.4
59.01379	100.0
60.01709	1.3
61.98834	0.9
66.61004	0.4
71.26305	0.4
91.44662	0.4
146.41666	0.4
153.35739	0.3
169.22278	0.3
186.69086	0.4
224.06079	0.4
242.72932	0.4
271.20807	0.4
339.02637	0.4
389.18817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76521	0.3
57.03449	1.8
59.01382	2.9
69.03453	0.4
71.05025	0.8
73.02939	0.9
82.52077	0.3
83.05038	0.4
85.02961	1.6
85.06570	0.7
87.04509	2.6
88.02203	0.3
97.06590	0.4
99.04498	0.4
102.98637	0.4
107.71259	0.3
115.07620	0.4
118.02998	0.3
123.08131	0.7
124.81898	0.3
125.09735	0.6
126.99634	0.3
135.08177	0.8
137.02444	0.4
137.09729	3.5
139.11256	1.6
141.12897	0.7
153.09177	0.5
155.10698	0.5
157.12358	2.1
162.49542	0.3
167.10818	0.3
169.12344	1.1
185.11826	7.6
186.12077	0.4
201.11310	0.5
208.03761	1.8
209.04453	0.5
213.11362	0.5
214.12131	0.7
215.12880	6.9
216.13356	0.4
231.12508	0.8
243.16000	3.6
255.16068	0.4
273.20724	1.0
283.19168	0.3
291.19446	0.3
295.57208	0.3
301.20197	8.7
302.20554	0.8
311.22223	0.4
323.22305	0.4
327.21899	1.2
329.23306	4.2
330.23688	0.6
341.23288	5.0
359.24365	1.0
371.09634	2.1
371.24435	1.9
379.74445	0.3
387.23779	0.4
389.25427	100.0
390.25739	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	389.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.00588	0.6
59.01376	3.0
61.98824	0.5
63.01614	0.3
69.03435	0.4
70.86312	0.3
71.01366	0.8
71.05021	0.5
73.02951	2.4
75.00879	0.7
75.78382	0.3
83.05008	0.5
85.02934	0.8
85.06584	0.5
87.04515	5.6
93.03415	0.4
95.05066	0.4
97.06587	1.3
99.08145	1.0
101.02437	0.4
101.06139	0.4
109.06584	0.9
111.08150	0.7
113.06091	0.6
115.07574	0.4
119.54031	0.3
123.04544	0.3
123.08150	1.6
125.09734	5.3
127.11335	0.6
137.02441	1.8
137.09703	1.0
138.06795	0.6
139.11287	0.5
141.09192	0.6
143.10788	0.7
152.04727	0.5
153.09177	1.0
155.10695	0.6
165.01988	0.8
167.10780	0.5
167.68237	0.4
169.12369	0.7
171.10274	7.6
181.05119	0.7
184.03767	0.5
185.11842	0.9
187.13252	0.4
197.15443	0.7
201.11313	24.3
202.11684	1.8
208.03741	3.5
209.04466	1.3
215.12868	3.1
225.14970	0.3
245.13766	0.8
246.14677	0.7
262.02316	0.4
271.19220	0.5
301.20450	0.4
307.19122	0.4
341.23486	0.4
343.21066	1.0
359.24231	0.8
369.22855	0.5
371.09824	3.8
371.24377	4.2
372.10104	0.5
372.24606	0.6
386.23236	0.4
387.23782	0.7
389.11948	1.8
389.25427	100.0
390.25775	12.1
390.30984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.90902	0.8
54.12034	1.0
55.01880	2.5
57.03429	2.0
58.00576	3.5
59.01376	100.0
60.01700	0.8
69.16289	4.2
69.16713	3.7
71.01379	59.9
71.05008	2.2
72.01707	1.5
72.99297	3.5
73.02934	4.7
81.03448	1.0
83.01415	2.1
83.05019	6.7
84.60225	0.7
85.02950	9.3
85.06570	2.0
85.54865	0.8
87.00874	3.5
89.02439	79.2
95.01395	3.8
96.97283	0.9
97.06585	7.3
101.02441	29.5
109.06559	1.6
111.08174	4.2
113.02445	22.8
114.02770	1.0
115.92072	1.1
119.03500	29.1
131.03493	2.8
137.09676	0.9
143.03490	5.7
149.04521	2.3
161.04546	7.7
163.11272	3.4
165.12840	17.5
166.13110	1.0
179.05602	22.4
202.99359	0.8
208.03702	1.1
209.11807	74.3
210.12201	6.0
227.12927	0.9
264.75653	0.8
371.09814	1.2
389.18140	14.3
389.25461	7.0
390.18210	2.3
390.25757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55671	0.4
52.19874	0.4
55.01878	0.9
57.03446	0.5
59.01371	2.7
61.98804	0.6
71.01353	0.9
73.02941	0.6
79.01887	4.6
83.01383	2.2
85.02949	0.8
87.00843	0.8
87.04507	0.6
88.98784	1.2
93.03445	0.8
94.21465	0.5
96.95992	0.6
98.83395	0.5
109.02920	0.7
118.96745	0.5
123.00865	0.5
123.04485	0.8
125.02407	1.7
137.02419	7.6
138.03220	41.7
139.03790	1.0
149.02440	0.7
151.00407	2.6
151.04005	1.1
152.04819	1.0
153.01927	1.7
163.03961	0.7
165.01886	1.7
166.02707	18.3
167.03479	20.1
168.03926	0.6
170.02196	16.2
171.02466	0.6
171.10390	0.8
179.03394	0.8
183.13942	1.1
185.11803	1.0
194.02184	46.1
195.02946	17.8
196.03355	0.8
201.11189	0.5
206.62553	0.5
207.03012	0.5
208.03766	2.7
209.04570	1.1
221.04553	0.8
226.01158	2.2
227.12959	2.3
232.91287	0.6
243.15936	1.1
250.26817	0.5
313.10983	0.7
329.08774	1.0
357.08228	100.0
358.08514	10.0
371.09845	3.7
371.24622	0.9
389.11151	3.9
389.25436	14.2
390.10910	0.9
390.25812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84227	0.6
57.03440	1.6
59.01382	10.9
66.47012	0.5
69.03451	0.5
70.06628	2.3
71.01375	7.2
83.01351	0.6
85.02946	1.6
89.02440	5.8
93.03449	11.6
95.01390	1.2
101.02426	3.5
109.02980	0.8
111.08153	2.1
113.02462	5.1
119.03496	1.9
123.04507	1.4
125.38618	0.6
130.07074	0.5
138.02838	0.5
143.03471	0.6
161.02524	0.8
161.04533	1.7
165.12839	24.0
166.13139	1.9
177.01884	4.6
178.02255	0.5
179.05630	0.6
182.02216	3.1
183.02983	2.9
183.13885	71.0
184.14240	4.0
184.94736	0.5
197.15439	2.0
207.13855	2.6
209.11809	3.0
222.96548	0.6
223.13300	0.7
225.15005	1.6
227.12869	100.0
228.13148	6.8
230.59973	0.5
242.18996	0.5
251.12880	5.7
269.13885	2.1
271.06076	0.9
293.13934	0.8
339.05173	0.6
345.08179	3.1
389.18411	3.4
389.25357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
57.03443	3.5
57.36755	0.8
58.00594	5.8
59.01378	100.0
60.01715	1.0
61.98829	1.7
71.01380	70.5
71.05012	2.2
71.05746	1.3
72.99305	4.4
73.02944	8.4
83.01383	3.7
83.05022	8.4
85.02950	15.7
85.06586	2.5
87.00867	4.4
87.04533	1.1
89.02444	87.3
90.02766	1.4
95.01383	4.1
97.06596	5.7
99.00900	2.2
101.02439	40.7
101.03109	1.9
109.06541	1.1
111.08134	5.1
113.02444	32.3
114.62312	0.9
116.92828	1.7
119.02655	2.1
119.03505	33.3
123.08179	1.1
125.02460	1.3
131.03497	3.7
137.02443	1.2
137.09729	1.5
143.03502	8.2
149.04547	3.1
159.02968	1.0
161.04564	9.4
163.11249	3.8
165.12837	15.8
166.13100	1.0
179.05611	24.8
184.67340	0.9
193.05119	1.3
194.13683	0.9
208.03787	2.1
209.11809	70.5
210.12144	6.2
251.58759	0.9
265.08389	0.9
301.03799	1.1
305.73203	1.0
329.10220	1.2
371.09720	1.2
389.18112	52.7
389.25430	12.5
390.18353	6.1
390.25864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19419	53.4
58.23076	54.4
61.98811	100.0
219.31610	55.6
228.51582	56.5
250.51927	55.0
269.71854	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.76661	0.5
69.95573	2.0
129.70116	0.5
140.34499	0.4
171.15997	0.4
388.17075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95908	1.0
96.96017	1.4
96.96970	1.1
106.55098	0.5
135.12352	0.5
145.02962	1.2
167.03557	0.8
172.39139	0.5
384.36136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32177	0.5
53.88764	0.5
59.01371	0.8
61.98829	100.0
65.14691	0.6
69.61695	3.8
81.03484	0.9
97.84593	0.6
113.69667	0.6
123.04520	5.1
123.10083	0.6
125.02420	0.7
142.56937	0.6
145.03006	2.3
167.03485	22.4
169.64171	0.6
208.40242	0.6
259.45172	0.7
325.09384	0.7
329.08881	1.5
347.84341	0.6
357.08731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.3
59.01381	15.6
61.98822	2.8
65.00317	1.4
67.01862	1.1
68.99801	1.2
70.14698	3.0
71.01382	3.9
72.99284	0.7
73.02927	1.1
75.00871	1.1
78.95900	1.6
81.03484	0.7
83.01384	6.5
85.02937	1.2
86.02724	0.7
87.00866	2.3
88.98790	2.3
89.02454	1.1
90.26670	0.7
93.03493	0.8
95.01433	1.1
99.00928	1.1
101.02441	3.0
107.01381	2.9
110.00117	0.8
111.00849	1.2
113.02447	1.3
115.00398	5.5
121.02934	1.2
124.01671	10.5
127.99084	0.8
137.02469	1.8
139.00371	3.0
139.04007	1.7
141.01875	1.7
143.05040	0.8
147.04517	1.9
149.02403	0.8
150.03242	1.2
152.01157	33.5
153.01851	3.1
155.03476	1.5
156.00691	1.4
161.04517	1.0
161.05927	1.0
164.01140	1.8
165.01952	2.0
165.05637	0.9
165.99010	1.1
166.02722	2.5
167.03412	0.8
168.00772	1.0
168.03012	1.4
175.02486	6.1
180.00616	3.2
181.01433	1.6
182.02214	14.0
183.02963	5.3
189.05559	1.6
191.03522	12.0
194.02173	0.9
208.00124	64.7
209.00641	5.0
217.05009	1.9
221.04463	2.0
226.01166	17.1
227.12999	1.3
261.03983	5.2
293.06427	1.1
299.26120	0.8
300.33713	0.8
313.11551	0.8
329.08838	1.2
345.14481	1.9
353.05127	1.1
371.06177	62.1
372.06418	4.6
389.07236	100.0
389.17914	11.7
390.07629	8.5
390.18359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.34075	1.5
56.35019	1.8
57.03449	10.3
59.01379	60.2
61.98835	13.4
67.01879	6.0
69.03444	2.4
69.84689	8.0
70.17020	1.6
71.01382	23.3
72.99326	2.2
73.02953	11.6
81.03448	2.2
83.01374	8.1
83.05031	2.1
85.02948	11.7
87.00854	5.5
89.02434	3.1
93.03459	27.1
93.07938	2.3
97.02953	7.2
97.06583	6.1
99.00851	2.3
101.02438	12.3
106.85305	1.8
109.02962	8.8
109.06590	4.5
111.00862	2.3
111.04504	4.9
111.08157	7.9
112.98568	2.9
113.02445	6.7
113.09683	1.8
115.00353	7.9
115.07607	2.1
119.03489	2.2
119.05000	1.7
123.04525	4.4
125.02409	4.4
125.06098	2.2
125.09716	2.4
125.82784	1.8
127.07615	2.0
127.11272	13.7
135.04543	1.8
136.91100	1.9
137.02434	11.2
137.09636	2.1
138.06813	3.0
149.02431	2.7
151.03963	6.6
155.03433	5.2
163.03905	1.7
169.12254	1.7
171.13925	9.8
173.04553	96.3
174.04935	2.9
175.02443	17.4
177.05476	1.9
182.02197	2.6
183.13882	4.1
195.13907	5.4
202.91716	1.7
203.07065	4.2
205.05074	3.9
213.14951	23.7
225.15018	2.3
229.18036	4.2
235.09676	2.0
241.14256	1.8
245.08176	4.1
249.18585	1.9
263.20126	3.7
283.19345	3.7
283.22696	5.1
287.15024	2.2
289.07156	12.9
290.07581	2.6
301.20197	19.3
302.20410	2.0
327.21768	19.3
328.22089	1.9
343.21259	4.3
345.22787	100.0
346.23068	12.5
387.14328	6.7
387.20056	66.8
387.23941	59.4
388.19897	8.6
388.24237	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65507	38.9
61.98816	76.8
65.48336	41.7
81.17651	39.1
95.80884	35.0
98.19946	100.0
101.04050	39.0
148.29472	42.8
186.41530	34.3
214.02965	35.9
285.56525	38.2
387.99576	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2022
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01877	5.1
57.03448	5.3
58.00360	0.2
58.00599	2.4
58.82856	0.2
59.01377	52.3
60.01725	0.4
60.52827	0.2
61.98820	1.6
66.90118	0.2
67.01910	0.2
67.52776	0.2
68.99536	1.2
69.03457	1.1
71.01377	100.0
71.05019	0.4
71.52122	0.3
72.01714	1.5
72.99306	3.8
73.02941	26.2
74.03281	0.3
75.00866	1.7
81.03467	0.6
83.01381	12.5
84.02170	0.7
85.02945	42.7
86.00090	0.5
86.03293	1.0
87.00869	4.7
89.02439	33.5
90.02789	0.5
95.01383	7.9
96.01720	0.3
96.98097	0.2
97.02934	1.9
99.00878	11.9
99.04508	1.4
101.02436	70.8
102.02810	1.3
109.02919	0.3
111.00875	0.7
112.98564	1.9
113.02444	41.2
113.06065	0.8
114.02791	1.1
115.04006	0.4
119.03494	15.1
120.03888	0.2
125.02431	2.5
129.01936	1.5
131.03491	1.3
137.02422	0.3
139.00336	0.3
143.03491	5.5
147.08183	0.2
149.04539	0.9
151.11264	0.7
153.01945	0.6
159.02975	9.1
161.04541	45.5
162.04825	1.6
163.11285	0.9
165.01863	0.3
165.09129	0.4
177.12823	0.7
179.05592	2.6
179.14462	0.3
181.01422	0.6
181.05043	0.5
181.12332	2.0
182.02176	2.1
183.03020	1.8
189.12810	1.0
205.03561	1.2
207.13870	4.1
208.14090	0.3
221.09642	0.8
223.13380	0.4
225.14951	4.8
225.17183	0.4
226.15273	0.5
231.70518	0.3
295.73773	0.2
327.07446	0.9
327.14481	0.7
343.17499	0.5
345.08157	2.0
367.11331	0.2
369.18991	0.6
387.20218	29.8
388.20560	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01859	0.7
57.03450	0.8
58.43598	0.7
59.01379	72.3
59.26284	0.7
60.01702	1.0
61.98820	2.9
69.37172	3.6
69.37576	1.3
71.01376	18.4
72.99315	1.8
73.02937	0.8
82.07877	0.7
83.01387	1.3
83.51839	0.6
85.02932	3.7
87.00885	1.0
89.02445	15.8
94.70576	0.7
95.01414	1.6
101.02442	9.3
102.98621	1.2
105.47845	0.6
109.06655	0.8
113.02437	6.4
114.82968	0.7
117.30079	0.8
119.03498	6.5
149.02505	0.8
163.11284	6.5
207.10251	11.9
215.15053	0.7
221.09686	0.9
223.06134	0.9
264.74448	0.7
387.16571	100.0
388.16891	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
61.98835	1.9
68.94136	0.8
69.20856	3.6
69.21281	4.0
71.01379	11.5
72.99287	1.3
73.02930	1.2
75.00851	1.0
83.01396	2.5
85.02952	1.9
87.00874	18.5
87.04490	0.9
99.00874	3.0
109.02947	0.8
111.00892	3.8
113.02426	1.0
115.00369	56.3
116.00710	1.4
122.03749	1.0
125.09702	1.2
136.05258	0.9
139.00359	5.9
152.77342	0.8
157.01424	9.7
175.02464	100.0
176.02831	3.3
182.02234	0.9
201.11250	4.4
211.13419	2.5
218.71103	0.8
225.14911	2.2
237.14917	1.7
239.12773	0.9
241.14363	5.6
247.13429	2.3
253.14409	1.7
253.18091	0.9
261.14896	6.1
265.14532	1.1
269.13931	7.6
283.15436	1.3
287.15012	5.9
289.07199	2.6
289.14487	1.6
307.15503	8.3
308.15866	1.7
325.16382	1.0
327.14566	7.3
345.22861	3.5
351.14539	1.9
387.16525	1.4
387.23792	4.7
394.76639	0.8
395.14539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41847	0.6
59.01384	7.0
61.88783	0.6
69.45967	1.5
69.46374	2.9
71.01378	11.6
72.99308	1.5
73.02936	0.7
73.13457	0.5
83.01379	2.1
84.02163	1.2
85.02933	1.6
87.00333	0.9
87.00874	18.2
96.73670	0.5
98.19928	1.0
99.00874	2.8
105.33696	0.5
111.00858	3.8
113.02444	1.5
114.59084	0.6
115.00370	59.4
116.00721	1.4
117.01955	0.7
126.38247	0.6
129.01900	0.8
139.00380	5.6
157.01422	8.1
162.17572	0.7
167.05788	0.6
175.02464	100.0
176.02803	3.4
177.97530	0.6
210.71339	0.6
211.13405	1.7
223.13412	0.9
225.14970	1.6
229.74541	0.6
235.13399	0.9
235.16893	0.8
237.14915	0.8
241.14439	4.1
247.13405	1.3
253.14384	1.1
261.14990	2.0
269.13873	7.1
281.14279	0.6
281.17493	0.8
283.15652	0.8
287.14990	5.5
289.07260	1.3
289.14413	0.9
307.15430	5.5
308.16058	0.9
325.16470	1.0
327.14545	6.2
351.14499	2.4
387.16611	1.4
387.23871	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12785	0.8
51.38163	0.8
52.44747	0.9
57.03445	1.5
59.01375	8.7
61.98833	5.3
69.66936	4.3
71.01382	15.8
72.99301	3.3
73.02949	1.3
78.21266	0.9
83.01392	3.1
84.02143	1.8
85.02958	1.8
87.00872	21.3
89.02454	1.3
99.00874	4.4
101.02461	1.4
111.00875	2.3
113.02442	2.0
115.00368	64.7
124.96157	1.0
127.00361	1.9
136.05315	1.2
139.00359	4.5
157.01411	6.1
174.01701	1.1
175.02463	100.0
176.02818	3.1
179.05685	0.9
182.02155	1.9
183.02957	1.0
183.13885	1.3
195.13826	0.9
197.15442	0.9
211.13327	5.6
223.13350	2.0
225.14961	4.2
227.16653	1.1
237.15042	3.4
239.12881	1.4
241.14447	13.6
247.13499	1.4
253.14468	2.6
255.15840	1.3
261.14951	5.8
265.14511	1.7
269.13919	15.7
270.14371	1.6
283.15277	1.2
287.15067	16.4
289.07428	1.8
289.14444	1.3
307.15396	7.1
308.15860	1.2
325.16641	1.4
327.14499	17.3
328.14713	2.4
339.14484	2.9
345.22745	2.2
351.14456	3.0
369.15387	2.3
387.09494	1.4
387.16339	2.7
387.23929	3.0
388.15048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54322	0.6
50.97989	0.6
57.03527	3.8
57.50083	0.6
58.00671	0.8
59.01139	1.4
59.01461	10.8
60.91016	0.7
61.98895	1.4
67.01965	1.0
69.03516	1.3
71.01053	0.8
71.01476	8.7
71.05090	1.5
72.99381	1.3
73.02674	0.7
73.03046	2.2
75.00945	0.7
76.31005	0.7
80.02740	1.0
81.03561	2.8
83.01495	5.8
84.02251	0.8
85.02600	0.8
85.03055	2.3
87.00410	1.0
87.00981	12.4
93.03575	2.1
95.05132	4.1
97.03064	8.2
97.06688	0.7
99.01003	2.8
99.04597	1.0
101.06188	1.8
101.24943	0.6
109.02946	28.8
110.03342	1.3
111.00970	2.8
113.02518	0.8
114.99595	2.3
115.00366	51.1
115.07761	0.8
116.00808	1.5
121.02947	5.0
122.03841	2.1
123.04519	18.3
123.08235	0.7
124.04895	0.8
125.02444	16.5
125.09846	1.5
127.00446	0.8
135.04645	2.6
137.01445	1.4
137.02426	11.0
137.06126	0.8
137.09853	0.9
138.03323	0.8
139.00371	5.8
139.04039	3.9
139.07777	0.7
145.03004	1.6
146.03819	1.7
149.02428	6.2
150.03285	1.0
151.03996	11.3
153.01917	0.7
153.09254	0.7
155.10820	0.8
157.01418	8.0
159.04457	3.9
160.05367	1.4
161.02536	1.1
161.06067	6.1
162.03310	2.6
163.04063	1.7
164.01137	4.1
165.01952	5.7
166.75595	0.7
167.03581	2.0
171.10361	1.1
173.06166	1.4
175.02470	74.4
175.07735	2.3
176.02835	2.9
177.01973	0.7
177.05641	1.4
179.03519	6.9
179.07228	1.5
179.14487	1.0
183.03128	0.9
185.06146	1.3
187.03986	6.1
188.04747	4.9
189.05336	1.0
191.07288	1.4
193.12268	0.7
195.14043	0.7
197.15775	0.8
199.07623	0.9
201.05606	1.2
202.06444	2.5
203.03627	0.7
203.07132	16.8
204.07571	1.4
205.05058	13.1
205.06792	0.9
206.05501	0.9
211.13452	2.2
212.04997	0.7
219.06735	1.1
221.08209	3.9
224.03247	2.9
225.05708	1.4
225.11336	1.4
225.15044	1.6
227.07253	2.4
230.05843	0.7
231.02986	1.7
233.08287	1.0
235.13492	1.0
237.14912	1.2
241.14407	3.4
245.08176	22.1
246.08569	1.7
247.06064	1.7
247.13522	1.9
253.14470	1.5
257.11880	0.6
261.14917	3.3
264.86945	0.7
265.14410	0.9
269.13916	4.6
271.06223	1.3
281.17593	1.2
283.15671	0.7
287.15005	4.6
289.07169	100.0
290.07498	8.3
299.12833	2.6
307.15488	6.8
311.10556	0.8
315.08939	0.7
327.14484	6.3
327.21683	4.2
328.22086	0.7
343.07727	0.9
343.11856	13.5
343.15744	1.5
344.12244	1.3
345.22815	14.6
346.23218	1.2
351.14438	1.9
357.22693	0.8
369.13245	1.2
387.09842	2.0
387.14362	46.3
387.23804	33.0
388.14688	7.0
388.24109	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	387.1451
Annotation	Renealtin A
Peak:m/z	Relative Intensity
57.03508	2.6
57.43375	0.6
57.46452	0.6
59.01435	6.3
60.09926	0.6
61.98866	1.0
68.71636	0.6
69.03497	1.0
69.73872	2.6
69.74294	1.1
71.01446	7.0
71.05074	1.0
73.03012	1.6
75.00915	0.8
81.03088	0.8
81.03532	2.9
83.01387	6.0
85.03001	1.5
86.10667	0.7
87.00883	8.7
89.02447	0.7
93.03521	1.8
95.05042	3.9
97.02937	8.7
97.78938	0.6
98.20699	0.7
99.00945	1.5
99.04532	1.0
101.06136	0.8
108.02232	1.0
109.02947	30.6
110.03326	0.8
111.00945	1.2
113.02494	0.9
115.00367	31.7
120.03471	0.7
121.02968	3.9
122.03805	2.2
123.04523	22.5
124.04864	0.7
125.02441	18.5
126.02834	0.9
135.04601	3.1
135.08170	1.2
135.20592	0.6
137.02437	11.7
137.06169	1.0
138.03319	0.8
139.00374	3.3
139.04004	4.7
141.09283	0.7
145.02979	1.7
146.03772	1.4
149.02444	7.5
150.03313	1.6
151.03992	11.7
151.05086	0.8
153.09276	0.8
157.01421	6.2
159.04482	3.7
161.02538	1.9
161.06079	7.7
162.03297	2.7
163.04074	1.9
164.01134	4.6
165.01913	5.7
167.03552	2.2
171.10318	0.9
173.06067	1.1
175.02480	47.1
175.03889	3.2
175.07651	1.9
176.02818	1.2
177.05612	1.6
179.03476	7.3
179.07242	2.3
185.05989	1.4
187.03999	6.5
188.04803	5.7
191.07251	1.7
199.07651	1.0
201.05537	1.1
202.06425	2.7
203.03622	0.8
203.07123	19.3
203.08865	1.3
205.05055	17.2
206.05367	0.9
209.00995	1.7
211.13460	1.5
218.05916	0.8
221.08185	4.7
224.03217	11.2
225.03722	1.5
225.05598	1.8
225.15019	1.1
227.07213	2.8
230.05878	1.8
231.03076	1.8
235.13448	0.9
241.14398	1.8
245.08167	23.7
246.08473	1.1
247.06216	3.1
247.13510	0.8
261.14969	1.8
265.14462	0.7
269.13974	3.0
271.06091	0.7
281.17429	0.7
287.14963	2.5
289.07162	100.0
290.07492	8.5
299.12851	2.4
307.15701	3.5
327.14542	4.0
327.21747	1.5
328.14606	0.9
343.11841	15.3
344.11862	0.8
345.22757	4.9
348.26843	0.8
369.13501	1.5
387.09299	6.7
387.14349	45.6
387.23724	14.2
388.14749	8.3
388.23972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02514	0.7
56.78876	0.7
57.03361	1.8
57.03608	0.7
57.45579	0.7
59.01270	5.4
61.98724	2.9
68.99504	1.0
71.01266	2.4
71.04931	0.8
71.53229	1.0
73.02850	2.1
78.94352	0.7
85.02858	1.5
85.06488	1.1
87.04405	3.7
87.04897	1.1
89.02319	2.5
96.63515	0.8
97.06490	1.1
101.02352	1.7
108.04551	3.7
112.98501	1.7
113.02380	1.7
119.03404	1.1
121.02869	1.2
122.05992	3.0
125.02318	1.7
127.07417	0.8
132.04411	2.5
147.03220	1.0
155.10680	0.8
160.04022	18.6
161.04361	2.2
162.05508	2.0
174.05484	1.1
175.02644	1.0
176.07036	1.0
181.01294	0.9
182.02084	2.2
182.08464	0.8
183.02844	1.7
185.11755	1.8
186.01830	1.7
188.03493	10.6
189.03859	0.8
190.04941	2.0
201.12828	0.7
202.05034	1.4
204.02963	5.6
207.13739	0.8
211.08649	1.1
211.12221	1.0
212.07065	1.2
218.02588	1.1
218.04572	15.9
219.04887	1.3
224.09338	1.2
225.05455	2.6
225.07495	0.9
227.08176	0.8
239.08159	0.9
239.11829	4.0
240.05280	0.9
240.10226	2.0
241.06102	1.4
241.09756	0.7
243.11324	2.0
243.15884	1.9
251.08212	2.3
252.08934	3.0
253.05975	1.7
254.06982	1.4
255.07692	2.7
265.09735	1.3
266.07993	1.2
267.04144	0.7
267.07764	2.3
267.11371	19.4
268.09573	2.8
269.09341	5.9
281.05685	13.0
282.06091	1.8
283.07425	1.7
283.10831	4.9
285.20590	0.9
293.09308	2.3
294.07184	1.3
295.07202	4.6
296.07938	5.7
297.08310	0.9
309.08804	3.3
311.10352	100.0
312.10721	9.7
315.09909	1.7
327.21448	0.8
337.08340	10.1
338.08505	1.4
343.12936	2.8
355.09317	47.0
356.09616	5.2
366.46094	0.8
369.10617	1.4
369.23013	1.3
387.12051	29.1
387.23834	25.3
388.12167	2.5
388.24197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01379	8.1
68.99585	1.1
69.03458	1.4
69.45649	1.1
70.37183	2.1
70.37567	2.1
71.01378	4.1
73.02942	6.3
83.01390	2.8
85.02975	1.2
89.02427	2.3
95.01353	1.0
99.00835	1.1
101.02448	1.2
105.72046	1.0
109.02956	0.9
111.00935	2.0
111.53945	1.1
112.50381	1.0
112.98563	1.8
113.02446	3.3
119.03516	1.6
121.02954	2.3
123.03622	0.9
123.04511	1.0
129.09239	1.0
133.02971	3.6
134.03706	3.6
136.98842	1.0
137.02434	7.1
139.00381	2.5
139.03972	1.2
140.01183	1.2
141.01942	3.1
146.16658	0.9
153.01953	4.2
155.03546	1.2
161.02455	6.4
163.11275	2.7
165.01935	7.8
165.99081	2.7
166.99791	1.7
177.01895	1.0
180.05943	1.1
181.01381	7.0
181.06528	2.0
181.12340	26.9
182.02200	100.0
182.12677	2.1
183.02971	88.3
184.03326	3.4
187.13577	1.0
193.05048	48.9
194.05406	3.2
195.02985	2.2
195.88794	1.1
204.92847	1.2
207.81163	0.9
225.05579	17.9
225.11316	32.6
225.14687	1.4
226.05827	1.0
226.11557	2.0
267.12354	2.8
327.07166	1.9
345.08078	1.3
368.81921	1.2
387.09329	60.7
387.14816	3.0
387.23816	14.3
388.09659	5.3
388.24304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00505	0.4
57.03437	1.9
59.01384	6.1
61.98832	6.9
69.03447	1.4
70.37175	0.8
70.37536	1.0
71.01379	5.5
73.02935	2.1
75.00841	0.9
77.03979	0.5
81.03455	0.7
83.01392	2.9
85.02946	3.1
87.04546	0.6
89.02437	2.5
93.03416	0.5
95.01366	0.8
97.02946	1.9
99.00864	2.1
101.02448	5.3
109.02952	1.1
110.00105	1.2
111.00877	2.7
111.04540	0.7
113.02461	3.1
115.92076	0.5
116.92842	0.6
119.03489	1.3
121.02962	1.6
125.02418	3.1
136.98827	0.5
137.02434	6.4
137.09698	0.7
139.00363	3.8
139.04013	1.1
140.01176	1.0
141.01953	3.2
143.03473	0.6
151.03990	1.4
152.07204	0.8
153.01932	4.9
161.04544	3.9
165.01930	7.9
165.99094	3.4
166.02513	0.6
166.99852	1.7
167.03525	0.8
175.02480	0.6
177.01895	0.8
179.03517	0.7
181.01418	9.5
182.02200	100.0
183.02966	85.8
184.03316	3.7
186.27556	0.5
193.05034	0.4
194.02034	0.9
195.02979	2.0
196.03740	0.9
197.04659	0.9
207.02930	1.1
207.13884	1.1
224.03317	1.0
224.09962	0.4
225.03998	1.0
225.14963	0.5
227.07027	0.5
270.13431	0.8
311.10208	0.4
315.08481	0.6
317.21686	0.4
327.07016	2.6
345.08154	3.6
351.07156	0.6
369.08551	0.5
387.09320	59.3
387.19885	1.3
387.23828	1.7
388.09665	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	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70070	0.3
57.03432	0.3
58.80548	0.3
59.01380	2.2
63.73546	0.3
68.99559	0.4
69.03449	1.2
69.47273	0.6
69.47665	1.9
70.71407	0.3
71.01385	0.9
73.02931	0.8
77.03976	0.7
81.03442	0.4
83.01370	2.0
85.02966	0.5
93.03472	0.7
95.01392	0.8
97.02962	1.0
99.00893	1.1
109.02962	0.9
109.99454	0.3
110.00098	1.8
111.00894	2.9
111.04542	0.4
112.98571	0.8
113.02397	0.3
121.02953	2.1
123.04552	0.8
125.02423	0.7
127.03960	0.3
128.21510	0.3
133.02921	0.4
134.03761	0.3
135.04573	0.4
136.98831	0.5
137.02434	5.7
139.00369	2.5
139.04010	0.9
140.01131	1.3
141.01932	3.6
153.01930	3.9
164.01166	0.4
165.01918	7.3
165.99077	2.5
166.02596	0.5
166.99846	1.9
177.01892	0.4
179.03438	0.3
181.01424	7.0
181.02902	0.5
182.02214	100.0
183.02975	84.9
184.03329	3.8
193.05029	1.2
194.02222	1.0
195.02950	1.4
207.02853	0.5
225.05646	3.1
327.07175	1.0
329.49860	0.3
345.08344	0.9
387.09314	60.1
387.23560	2.3
388.09662	5.5
388.17642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
61.98826	1.9
65.00317	1.4
67.84399	1.0
69.16753	3.5
69.17165	5.5
71.01378	1.3
72.31242	0.9
75.00868	6.1
78.95898	2.3
80.91695	8.1
81.03442	1.5
83.01389	9.7
84.93011	1.0
91.01881	1.5
93.03468	2.0
95.01370	1.1
96.95992	3.6
96.96956	6.2
98.19940	1.8
107.01395	5.1
109.02954	3.9
109.52657	1.0
111.00878	1.4
117.01944	0.9
123.00849	1.9
123.04428	1.1
124.01624	1.0
124.98812	1.0
125.02471	5.2
125.07062	0.8
131.01379	2.0
135.02997	14.4
136.98775	2.3
137.02449	9.8
139.00334	2.1
139.03964	1.5
141.01921	3.8
149.02368	1.3
151.03957	1.3
152.01126	2.9
153.01936	15.6
163.00307	1.7
164.01137	2.0
165.01927	7.7
167.03455	2.2
177.01926	1.1
178.99838	12.8
179.03476	1.7
181.01418	22.3
183.03015	1.1
190.99838	3.1
193.01425	3.5
195.02974	3.0
197.00899	2.0
202.99864	1.1
208.00166	5.0
209.00896	100.0
210.01285	6.3
218.99237	1.7
221.00879	4.8
222.01518	1.2
223.02480	8.6
237.00375	6.1
239.01845	2.0
241.03535	3.3
243.70850	1.2
246.98808	8.1
249.00526	1.4
251.01947	7.2
267.01392	3.8
268.02222	8.3
269.03000	29.8
270.03320	1.5
281.02969	1.6
297.02603	1.9
305.06674	7.3
327.03714	4.3
337.02097	2.2
355.02921	2.9
387.05560	9.1
388.06015	1.4
391.64813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	4.8
58.30390	1.6
58.99606	2.5
59.01374	5.5
60.91957	1.4
61.53945	1.5
65.22215	1.4
72.00885	2.8
74.02470	78.4
82.02972	6.0
83.02528	1.5
83.06144	1.4
83.91148	1.6
84.04532	2.5
85.02946	1.5
87.02694	1.5
87.05630	21.7
90.00206	1.7
96.04566	2.1
97.04076	12.0
98.06121	5.6
99.05640	37.5
99.37753	1.7
100.00422	1.9
101.04327	2.3
108.04511	3.2
110.06087	2.5
111.05659	2.9
113.02456	1.9
113.02807	1.7
113.03561	20.5
116.01752	3.8
125.03539	5.1
126.04369	2.6
132.08524	8.4
133.04398	2.1
133.93553	1.5
141.06636	2.9
143.04591	11.3
150.12874	7.0
151.05171	2.0
153.06676	5.2
153.10477	1.9
157.08597	1.9
164.10818	8.5
170.03323	6.9
177.03447	1.7
181.12329	15.2
182.11800	2.2
210.12427	6.3
225.11342	12.3
233.12866	2.8
234.16035	1.6
246.16118	3.5
252.17253	2.5
254.11507	3.0
264.17154	9.7
296.16220	3.4
308.16144	100.0
309.16565	8.4
324.14005	1.9
342.14883	83.8
343.15128	8.9
352.62289	1.4
357.92438	1.6
386.13916	4.8
387.14450	3.5
387.23932	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	386.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41684	0.5
52.18324	0.5
53.85112	0.5
54.78470	0.4
59.01373	6.2
61.98813	0.5
65.58280	0.5
71.01378	0.9
71.51655	0.4
71.51995	0.5
72.00906	18.8
72.98936	0.6
72.99306	4.9
74.02460	2.8
74.14786	0.4
77.98714	0.5
87.00851	0.5
89.02441	1.0
99.05615	1.2
101.02385	0.5
113.03552	0.7
119.05003	2.1
138.03271	0.6
143.04643	0.6
151.03888	0.7
152.04369	0.5
160.00723	4.0
163.11241	0.7
174.01627	0.8
175.02019	1.0
193.10231	0.6
195.08130	2.0
207.06573	1.4
208.08899	9.1
209.09689	16.2
210.10225	1.1
219.08147	0.5
221.09694	100.0
222.01605	1.2
222.10017	9.5
223.02219	1.5
224.02919	1.1
225.09195	1.8
236.10725	1.8
237.09212	7.7
238.09569	0.8
238.12186	1.1
240.07877	1.4
241.08644	1.1
252.07930	3.8
253.08591	2.6
254.07823	1.5
256.09784	0.5
265.08670	24.1
266.09027	1.7
271.09647	0.6
281.08154	5.5
282.11331	42.7
283.11798	3.5
284.06824	1.0
288.06583	1.2
298.10867	2.0
299.09012	2.6
300.00232	0.5
308.16125	4.9
309.07614	3.3
326.10306	44.3
327.08258	0.6
327.11301	2.7
342.14890	3.8
344.11334	43.6
345.11694	4.1
362.07196	0.6
386.07886	2.2
386.12137	4.6
387.08704	1.1
387.16562	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	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03447	13.5
58.00582	3.9
59.01379	100.0
60.01716	1.8
61.98827	2.4
69.03449	2.3
71.01380	53.1
71.05022	1.1
72.99312	4.5
73.02946	11.2
75.00865	1.8
81.03442	2.0
83.01393	4.0
83.05035	1.4
85.02951	25.7
87.00873	3.2
89.02445	31.6
93.03466	1.6
95.01400	6.5
95.05009	3.5
96.02202	1.0
97.02957	4.7
97.06584	0.8
98.03742	3.4
99.00883	2.8
99.04536	1.9
101.02442	31.1
101.03105	1.9
107.04999	1.8
108.02181	1.0
109.02956	9.8
109.06591	4.1
111.04512	2.6
111.08128	2.0
113.02451	50.5
114.02760	1.5
114.25777	0.9
119.03506	16.7
119.05004	2.0
121.06595	1.3
122.03709	2.3
123.04539	7.6
123.08153	3.2
125.02441	2.3
135.04536	1.8
135.08142	1.6
137.06079	3.8
137.09697	5.8
139.07645	1.8
141.09216	6.1
143.03445	2.0
148.05322	0.9
149.04456	0.9
149.06039	2.9
149.09773	4.1
151.07658	1.7
151.11279	2.7
153.09239	1.7
161.04553	8.2
161.09703	2.1
163.07608	1.8
163.11285	3.5
165.09213	13.9
167.10709	2.3
173.09673	1.0
175.07539	0.9
175.11278	12.0
176.04749	3.4
177.05539	1.3
177.09178	1.7
179.05588	1.5
179.10742	4.6
179.14406	1.0
187.11249	6.8
189.09172	3.4
189.12871	2.8
190.09897	2.1
191.07140	2.2
191.10748	4.9
193.12340	16.9
194.12595	1.1
201.12813	3.1
203.10709	2.2
203.14415	0.9
205.12323	22.1
206.12717	1.6
207.10297	7.5
207.13820	2.4
217.12239	5.1
219.13928	4.0
221.11903	6.3
222.01645	1.0
223.13374	9.8
229.12314	8.4
231.13831	1.4
233.11688	2.5
235.13371	3.9
237.14848	1.5
241.12149	1.0
247.13373	40.9
248.13742	4.0
254.04698	0.9
259.13379	8.2
263.12970	1.4
265.14423	12.9
277.14456	9.8
278.14557	1.1
289.14508	1.1
295.15466	1.2
339.90918	0.9
385.22424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
56.15545	0.5
57.03447	11.9
58.00594	4.0
59.01378	100.0
60.01715	0.7
60.90561	0.4
61.98822	1.8
64.06882	0.4
68.01657	0.4
69.25749	3.4
71.01380	71.6
71.05035	0.6
71.12254	0.4
72.01723	1.2
72.99303	5.9
73.02946	5.9
75.00893	0.7
83.01385	4.2
83.05022	1.9
84.02132	1.0
85.02949	15.1
87.00872	7.0
89.02442	86.3
90.02777	1.7
95.01389	5.3
97.02931	0.9
98.20622	0.7
99.00868	2.0
99.04520	4.8
101.02441	52.2
102.02763	1.4
109.02914	0.6
109.45265	0.4
113.02448	33.4
113.06069	1.3
114.02757	1.0
119.03500	45.3
120.01244	0.9
120.03807	0.5
121.06586	0.5
123.08144	1.6
125.02448	1.4
131.03482	4.5
135.08136	0.7
137.09723	3.2
138.10182	0.4
139.07654	0.5
143.03517	6.3
149.04527	2.7
149.05870	0.6
153.09210	2.8
159.02937	0.7
161.03279	0.6
161.04558	10.3
161.09647	0.7
163.11275	1.0
164.04823	0.5
165.09200	64.1
166.09543	3.1
171.08136	0.9
175.07634	1.2
177.12802	0.7
179.03764	0.7
179.05617	9.0
180.05852	0.4
184.55963	0.5
187.11278	11.6
188.11580	0.8
188.83345	0.5
189.09218	0.6
190.09927	0.6
193.12270	0.7
203.37381	0.5
205.12332	8.0
217.08801	0.5
220.87971	0.5
223.13420	4.3
247.13272	0.4
295.15399	0.9
385.13480	0.7
385.18594	9.6
386.18951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01107	2.2
59.01378	30.6
61.98820	5.7
71.01373	13.6
71.53242	1.9
71.53626	2.2
72.99306	2.8
73.02908	2.0
73.81119	1.4
83.01356	3.2
85.02940	6.8
87.00871	28.4
110.56610	1.4
111.00888	2.3
113.02409	4.3
115.00361	47.9
119.61726	1.5
137.02444	9.7
139.00322	4.9
157.01389	10.1
165.01923	9.3
165.12894	11.8
175.02463	100.0
176.02768	3.1
177.05540	2.6
179.03488	6.9
183.13878	39.6
184.14183	2.8
195.06511	8.5
204.09711	1.5
207.02916	5.6
213.09489	1.8
222.05338	26.3
223.06026	13.3
227.12871	20.7
343.21103	1.8
385.11194	21.8
385.15036	23.2
385.22186	1.9
386.11356	2.2
386.15775	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	385.1864
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	2.5
57.03445	12.8
57.26106	0.5
58.00593	4.0
59.01377	100.0
60.01704	1.3
69.03459	0.5
69.43974	2.6
71.01379	67.6
71.05022	0.6
72.01733	1.2
72.99304	4.9
73.02948	4.5
81.03423	0.5
83.01376	3.2
83.05024	2.9
85.02949	13.9
86.00118	0.5
87.00872	6.5
89.02441	90.8
90.02785	1.2
95.01392	3.9
97.02952	0.7
99.00868	1.3
99.04515	6.4
101.02437	46.7
102.02782	0.8
113.02445	30.7
113.06073	1.5
114.02794	0.8
119.03497	39.7
120.03830	1.2
121.06633	0.6
123.08159	1.1
125.02452	1.4
131.03490	3.2
137.09721	4.4
143.03500	4.3
143.68747	0.5
149.04543	2.7
149.05917	0.5
150.06868	0.6
153.09212	2.7
159.03006	0.8
161.04572	8.4
161.09688	0.9
162.04913	0.5
163.11322	1.1
165.09206	73.1
166.09523	3.6
171.08162	0.9
175.07617	1.5
177.12863	1.2
179.03445	1.0
179.05614	8.7
187.11278	10.8
188.11604	0.6
189.09114	0.5
190.09969	0.8
193.12306	0.6
195.06677	0.7
203.10768	0.9
204.11169	0.7
205.10539	0.8
205.12346	10.5
206.12683	1.2
209.09717	1.5
222.01750	0.6
222.05302	2.1
223.06139	1.2
223.13350	6.2
224.13823	0.8
253.08530	1.1
295.15323	0.8
354.58347	0.6
357.09924	0.5
385.11594	1.5
385.18524	10.5
385.23288	0.5
386.18799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.6
71.01378	2.7
72.00901	9.0
72.99306	2.8
73.02962	3.5
74.02467	2.1
75.00862	2.8
83.01379	4.2
85.02953	6.2
87.00878	3.2
98.20760	2.9
99.05682	2.3
101.02495	2.0
113.03512	1.3
113.99595	2.1
115.00371	8.6
138.03279	1.6
149.02438	4.9
160.00684	3.6
164.04749	5.2
165.01903	1.4
174.01686	65.5
175.02420	7.1
179.03459	1.8
190.02721	2.6
193.01457	2.5
194.02275	1.8
205.05008	3.4
208.03763	4.4
208.08986	4.1
209.08113	4.2
209.09850	8.9
221.09700	50.4
222.01721	3.3
223.02423	5.0
223.06070	11.5
237.09254	4.2
239.09265	1.9
251.09302	2.2
252.07994	1.7
263.10968	1.5
264.16873	1.5
265.08728	12.4
267.08701	3.6
277.16208	1.3
281.08063	2.7
282.11319	16.7
295.08337	8.5
299.09302	1.7
308.16217	4.7
325.09195	13.8
326.10306	25.5
327.08630	2.0
342.15088	3.2
344.11349	23.1
385.11441	100.0
386.11658	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	385.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.0
61.98816	1.4
72.27642	1.2
79.27048	1.3
85.02926	2.5
89.02473	1.8
92.59445	1.5
98.20763	2.6
159.93536	1.3
225.05458	2.5
241.05032	1.6
267.06537	1.9
269.04526	41.6
270.05292	8.3
281.04773	2.6
281.08032	2.8
285.03983	3.8
286.04797	21.5
287.05359	4.6
291.06564	16.5
292.06778	1.7
298.04749	15.5
307.06064	22.4
308.06519	1.8
309.07657	89.6
310.07941	8.3
335.12823	12.9
336.13333	2.1
337.24649	1.7
339.12021	1.6
351.12344	46.4
352.13098	100.0
353.13452	11.7
367.11642	4.4
368.12527	2.4
385.12497	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.5
65.00317	0.8
70.31327	1.7
71.01386	5.6
83.01342	0.6
85.02950	1.6
89.02435	4.6
93.03442	0.7
95.01332	0.7
101.02419	2.0
106.90949	0.6
113.02451	2.3
119.01387	4.4
119.03476	1.0
121.02953	2.8
135.04474	0.8
136.49706	0.6
142.48845	0.7
147.00890	2.3
149.02437	14.2
150.02686	0.7
152.01126	1.9
161.02438	1.0
163.04010	1.5
164.04782	13.9
174.98816	1.4
175.00351	27.4
176.00626	0.9
179.07127	4.1
189.01918	1.5
190.02705	70.4
191.03024	3.8
193.01401	4.8
205.05045	100.0
206.05455	7.2
208.03783	8.3
217.01381	0.8
221.08156	1.6
223.06108	38.7
224.06445	4.1
247.06128	6.0
265.07178	2.6
325.09314	2.2
332.75928	0.7
371.82965	0.7
385.11478	7.2
386.11478	0.8
401.24246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01296	0.2
50.35839	0.2
58.58568	0.2
59.01385	1.6
61.98829	100.0
71.01387	1.2
71.29002	0.3
71.54260	0.2
79.24681	0.3
85.02949	0.3
89.02470	0.5
90.49537	0.3
101.02438	0.5
113.02437	0.4
145.02957	0.5
146.03378	0.3
205.12378	0.8
209.56137	0.3
227.41240	0.2
277.99084	0.2
321.06158	0.4
346.20721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
61.98827	0.9
69.60142	1.8
69.60549	2.6
71.01364	0.8
82.31998	0.7
88.09129	0.6
96.96009	0.8
96.96960	0.8
119.05021	97.6
120.05332	3.8
135.12030	0.6
149.02399	1.3
163.04001	100.0
164.04399	4.9
202.22777	0.6
207.04619	0.6
208.03746	1.0
223.06110	2.1
223.15729	0.6
338.12387	0.7
385.11597	0.8
386.11270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1134
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
55.17008	0.7
59.01353	1.6
61.98831	0.8
69.18974	6.3
78.95924	1.0
90.65741	0.7
111.51818	0.7
144.95065	0.7
172.05289	2.7
188.04837	0.9
200.04823	3.4
203.03287	0.8
211.07553	0.9
212.04785	4.6
216.04308	6.7
225.05630	1.2
228.04189	6.0
237.05528	1.0
239.07054	2.1
240.04228	15.7
241.04936	3.0
243.02968	1.7
244.03711	1.0
248.03206	3.1
249.05533	2.2
254.05821	4.0
255.06541	4.6
256.03693	3.2
256.06668	1.5
257.07233	1.1
265.05017	3.3
267.06528	2.0
268.03711	3.0
269.04483	9.2
270.05127	1.7
271.06100	12.2
281.04547	0.9
282.05319	2.0
283.06104	16.1
284.06418	1.9
293.04526	20.8
294.05029	2.9
296.03232	53.8
297.03549	4.9
307.06046	1.9
310.04791	9.6
311.05579	71.7
312.05936	6.7
335.05685	1.6
336.06403	2.3
339.12103	1.4
365.10254	11.9
366.10492	1.6
383.11285	100.0
384.11584	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	383.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15947	0.4
57.19734	0.4
58.09511	0.5
63.03500	0.4
69.23668	1.0
69.24069	3.4
80.47862	0.5
81.12460	0.4
90.17951	0.4
96.32388	0.5
96.37152	0.4
109.82723	0.5
210.06784	0.9
237.05466	0.8
238.06323	5.4
241.05069	3.9
254.05701	0.5
269.04654	1.9
279.06683	0.9
281.04523	21.8
282.05304	37.9
283.05692	3.4
291.06625	3.5
293.04483	2.1
294.05328	34.3
295.05637	3.4
303.06583	1.4
307.06161	1.9
308.06808	1.6
333.11331	2.9
351.12347	100.0
352.12677	10.4
383.14954	5.6
384.15228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98828	100.0
62.98525	0.3
63.99263	0.3
66.30225	0.2
69.51826	0.4
69.52227	1.3
71.01383	0.8
85.02948	0.4
88.98814	0.6
89.02454	0.9
98.19904	0.4
99.58554	0.2
101.02459	0.5
105.02069	0.2
113.02448	0.5
117.03519	0.4
125.02514	0.3
137.02443	0.2
143.05014	0.2
144.05388	0.4
145.02980	0.7
146.03305	0.6
182.02234	0.3
183.02936	0.3
193.01501	0.2
205.12469	0.2
207.28790	0.2
223.02425	0.2
247.43446	0.2
264.21371	0.2
321.05893	0.5
384.06317	0.3
384.13876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
64.05478	0.3
71.01369	0.6
71.50949	0.7
75.53894	0.4
78.95895	1.2
85.02940	7.4
87.00871	1.5
88.98820	2.4
89.02459	0.4
93.03452	2.1
96.96072	0.4
99.04487	0.5
111.04527	1.1
125.02422	0.4
127.03997	2.5
171.02922	0.5
173.04547	0.9
191.05594	100.0
192.05949	3.7
358.88367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39656	0.4
55.01878	1.2
56.67737	0.4
58.65599	0.4
59.01379	100.0
60.01711	1.0
61.98848	0.5
70.66788	1.0
71.01385	1.0
78.95912	0.8
83.01383	0.8
87.00881	0.5
89.02474	0.6
93.03448	5.2
93.03950	0.6
101.02423	0.6
134.04767	0.4
137.02444	11.6
151.04070	0.4
154.99860	7.5
173.00914	0.4
178.85414	0.4
183.13979	0.8
280.50882	0.4
281.06616	3.3
281.09137	0.4
317.53958	0.4
324.14655	0.8
341.10934	0.5
383.07529	0.5
383.12491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67599	0.5
57.03445	1.7
59.01385	3.5
61.98829	100.0
63.02385	0.6
65.00334	0.8
69.68176	0.8
69.68590	2.3
71.01382	2.3
73.02932	1.0
78.95912	2.2
83.01401	1.8
89.02431	0.9
93.03497	0.7
101.02470	1.7
107.01401	1.7
109.02986	1.4
111.76970	0.5
113.02489	1.2
117.03467	3.3
119.05061	0.9
125.02431	15.2
137.02417	2.7
139.04037	1.2
143.05040	0.8
145.02950	11.7
147.00880	1.5
151.00357	5.8
152.01128	1.2
153.01941	4.9
156.04518	0.5
161.02431	0.6
161.04523	0.8
163.04019	1.5
165.01872	2.9
167.03471	1.6
175.00374	7.3
178.99843	6.0
181.01421	1.1
185.02528	0.6
191.03474	4.3
193.01405	48.7
194.01828	2.2
205.05101	0.8
215.03465	3.1
233.04533	1.5
249.13419	1.3
257.04526	2.5
297.86209	0.5
301.03458	8.4
302.03864	0.7
319.04568	10.8
320.04761	1.2
335.52042	0.5
373.33957	0.7
381.17682	0.7
382.18027	2.0
383.13614	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	382.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37424	0.8
55.08323	0.8
59.01376	100.0
78.95905	0.9
89.58782	1.0
152.99464	1.2
184.65810	0.9
201.36017	1.1
367.71008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.08744	0.8
59.01366	2.7
59.22603	1.0
61.98821	2.0
68.99815	1.9
70.99271	1.8
71.01366	1.7
78.95892	2.6
93.63133	0.9
113.02462	1.5
121.02956	100.0
122.03271	3.4
147.04515	1.8
149.02469	2.0
181.06577	3.8
191.03505	10.4
217.04822	1.1
225.05667	7.5
251.07094	2.7
261.71106	1.0
295.06091	10.9
311.09235	14.7
312.09488	3.1
313.07129	17.6
314.07574	2.2
337.28607	1.1
339.08701	15.0
383.07690	34.7
383.12576	2.2
384.08145	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86973	0.7
59.01387	1.2
59.96736	1.5
61.98831	1.3
65.76461	0.7
74.99069	23.5
75.96217	2.1
78.95895	2.2
91.02209	44.9
92.02158	1.6
93.00130	10.8
101.05914	0.7
114.11749	0.7
141.07320	0.8
143.05341	1.8
159.08459	100.0
160.08766	4.4
161.06384	9.3
224.82979	0.9
258.23334	0.7
293.23917	0.9
327.13672	0.8
365.10962	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	381.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75724	0.4
59.01377	100.0
60.01707	1.0
61.98832	0.8
69.24524	3.0
71.01379	2.8
73.02950	1.4
83.01382	0.8
85.02948	2.1
94.19405	0.3
99.00916	0.5
101.02443	3.9
113.02467	1.4
116.59863	0.4
120.14654	0.4
143.03516	0.4
159.03033	0.7
161.04555	2.9
223.89053	0.4
266.90222	0.4
269.29514	0.4
321.19162	13.2
322.19400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58748	0.7
57.03448	1.4
59.01377	0.9
61.98830	100.0
66.66541	0.6
68.91559	0.6
71.43650	1.2
72.29665	0.6
72.43597	0.6
83.01387	1.4
101.02476	0.6
107.01401	1.4
109.02961	1.1
125.02448	14.0
125.03327	0.9
133.05951	0.7
133.06905	1.2
137.02487	1.4
139.04036	1.5
147.00853	1.2
151.00360	6.1
152.01176	0.8
153.01941	4.8
165.01964	3.1
167.03571	1.2
175.00368	8.4
178.99860	6.6
181.01453	1.2
191.03481	3.2
193.01405	45.7
194.01776	2.7
215.03433	3.0
233.04581	1.0
239.03632	0.7
257.04495	3.0
283.02454	0.8
301.03522	7.5
302.03967	0.7
319.04541	8.5
320.04971	0.8
351.17587	0.7
383.13754	1.2
403.12390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26115	14.4
70.47620	6.1
133.09370	7.3
140.00725	6.6
141.43599	6.3
143.36177	6.7
165.01862	11.9
181.01416	8.8
182.02214	80.7
183.02998	76.8
240.91536	6.1
242.49452	6.6
270.11859	6.4
278.79636	6.3
345.08209	100.0
346.08600	11.7
386.25534	6.5
387.67813	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	381.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99954	2.4
69.03452	69.7
71.50816	2.9
72.99306	35.7
113.02448	86.2
130.08772	4.3
131.22601	2.3
139.03999	16.0
142.99843	4.5
157.05055	100.0
158.05370	4.0
172.37497	2.5
175.06107	92.7
176.06476	5.5
181.07666	3.4
182.54005	2.4
201.06805	2.4
225.65700	2.3
249.00058	2.4
252.22740	2.8
261.08798	5.8
261.56580	2.4
381.17963	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.134
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
53.34153	0.8
53.78003	0.8
59.01376	4.2
61.98824	1.5
64.68510	0.8
71.52691	1.0
73.31017	0.9
75.32242	0.8
78.95901	35.8
86.78838	0.8
95.84650	0.9
149.83479	1.0
187.07582	1.8
211.07713	3.0
213.05583	2.2
225.05559	1.0
226.06273	2.1
254.05815	100.0
255.06570	80.5
256.06921	6.9
267.06534	1.7
279.06601	2.7
293.21243	3.7
295.09738	5.7
331.59183	0.8
337.10916	2.4
338.11090	0.9
363.12274	1.3
381.13376	36.0
382.13763	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	381.134
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
52.19143	0.7
59.01357	1.5
69.43972	1.1
69.44296	4.5
78.95897	16.6
80.20477	0.5
85.37907	0.6
96.96933	2.1
98.20685	0.6
99.62691	0.6
183.74353	0.6
187.07591	1.5
199.22900	0.5
211.07620	1.6
213.05524	2.8
226.06270	2.1
247.07806	0.6
254.05826	100.0
255.06573	98.1
256.06915	9.5
267.06665	1.4
279.06601	4.1
280.07129	0.7
295.09821	1.7
296.03522	0.6
319.09756	2.1
319.13147	1.2
337.10828	2.0
363.11987	3.1
381.13403	37.9
382.13724	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	381.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66032	1.1
62.21960	1.1
65.00323	14.4
67.25755	1.1
69.56925	6.5
72.74443	1.1
74.02473	1.6
81.03453	5.3
83.01379	22.1
109.02943	2.4
111.00881	5.2
135.00850	2.8
136.98802	19.6
141.06693	3.8
153.01929	100.0
154.02254	5.0
159.68837	1.0
165.01839	1.8
181.01392	1.5
183.02971	18.6
184.03177	1.2
185.05574	2.1
193.30228	1.2
193.41872	1.2
197.00897	31.1
198.01277	2.2
204.69749	1.2
222.39624	1.2
382.10641	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	0.8
57.03439	1.2
58.00584	2.3
59.01377	83.9
59.96610	0.6
60.01732	1.2
61.98826	1.2
69.03448	1.0
71.01380	65.2
72.01728	1.1
72.99306	4.6
73.02943	18.2
75.00861	0.8
83.01393	2.4
85.02948	9.4
87.00873	3.5
89.02441	100.0
90.02773	1.8
93.94310	0.5
95.01385	3.0
97.02952	1.6
98.20744	1.2
99.00877	23.0
99.04549	0.5
101.02438	42.7
102.02798	1.1
103.04095	0.5
109.02988	0.6
113.02444	19.3
114.02741	0.9
115.04002	1.3
119.03493	17.5
119.04864	0.7
125.02422	5.2
126.03963	0.6
131.02539	1.2
131.03496	16.0
135.04538	0.7
139.07623	0.8
143.03540	3.5
149.04549	47.7
150.04883	1.7
155.10777	1.6
157.08664	3.8
161.04578	6.1
179.05602	10.6
191.03862	0.5
191.05603	13.6
203.03754	0.7
217.10843	3.9
221.06633	2.5
233.06693	0.7
247.11847	4.2
251.07658	2.8
291.09918	0.8
293.08569	1.0
303.09921	0.8
379.16034	48.1
380.16397	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	380.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.5
59.01376	7.6
61.98830	38.4
71.01391	0.8
71.52125	0.8
74.50198	0.7
81.03455	9.2
86.22059	0.7
88.20251	0.8
89.02468	0.8
101.02451	0.9
103.05473	0.8
105.03458	1.5
113.19628	0.6
121.02943	0.9
123.04520	2.4
125.02442	100.0
126.02798	3.3
133.00839	0.7
147.04521	10.9
147.51450	0.7
149.02408	10.2
151.00410	0.8
167.03543	0.8
175.07553	0.6
189.05612	1.3
191.03493	75.9
192.03836	4.9
193.01396	11.0
202.99821	1.8
219.02971	11.9
228.14639	0.7
231.06682	1.0
317.06604	10.8
318.06784	0.9
319.17630	1.3
320.18030	1.1
381.08072	1.5
389.76376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65766	1.1
51.22538	1.1
53.34372	1.0
59.01358	1.4
60.99304	14.3
67.00670	1.2
70.92577	2.5
71.01353	1.2
84.81357	1.0
88.98802	100.0
106.12026	1.3
112.70406	1.2
135.04564	1.6
215.56436	1.1
234.39578	1.1
289.06845	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	379.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50649	1.2
51.81627	1.4
59.01380	15.0
60.99298	2.0
61.98829	19.7
70.07634	3.8
71.01382	4.9
72.07561	1.3
74.06387	1.3
88.98799	10.4
89.02448	4.0
101.02460	2.9
101.07745	1.3
113.02444	2.7
119.03500	2.2
119.05009	8.7
121.02953	98.9
122.03310	4.2
135.04498	3.3
145.02940	2.2
153.01987	1.6
154.02277	1.6
161.02440	2.8
179.03529	2.1
181.05064	100.0
182.05377	4.5
267.82986	1.3
316.07645	4.1
341.11227	8.2
343.11005	2.7
379.07950	9.2
379.17325	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	379.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
60.99305	14.2
61.98806	3.9
70.42313	4.1
71.01369	3.4
72.99278	1.5
77.02538	1.4
83.01414	1.3
88.98802	100.0
89.02436	4.7
96.96005	2.6
96.96932	1.6
98.01796	1.2
99.89314	1.2
101.02415	3.0
113.02431	2.2
120.99584	2.3
124.78342	1.3
125.02371	2.0
133.02966	3.3
135.03622	2.1
135.04517	22.1
157.08708	1.2
161.02402	7.2
165.01910	2.1
167.03407	1.6
179.03493	28.3
180.03825	2.0
198.99979	1.7
203.03566	1.6
209.00963	2.7
211.02461	3.8
221.00812	3.4
237.00449	1.8
239.01955	2.5
240.59962	1.5
242.99049	1.9
258.98526	1.5
271.22540	1.3
289.07092	2.7
300.99606	7.3
319.13867	1.6
341.08081	6.7
378.96783	1.8
379.16083	6.0
380.15771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
60.99296	17.5
61.98828	6.4
69.42048	8.0
71.01385	2.7
80.74696	1.0
86.20984	1.2
87.76308	1.2
88.81808	1.1
88.98799	100.0
89.02428	3.5
89.99068	1.5
91.12989	1.2
99.00721	1.0
101.02424	2.0
109.02964	2.2
113.02377	1.4
125.02335	1.4
133.02913	4.7
135.04507	13.6
144.21210	1.0
151.03984	1.8
161.02435	19.7
162.02847	1.5
179.03493	9.7
198.92474	1.4
240.93472	1.4
289.07056	3.7
319.14011	1.4
341.08258	7.7
342.09061	1.6
378.96481	1.7
379.08087	1.7
379.16037	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	378.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97213	1.3
53.39751	1.4
57.11247	1.2
59.01380	25.0
61.98828	100.0
64.34978	1.6
64.70435	1.3
71.01378	10.8
71.19157	2.3
73.43148	1.4
73.43526	1.5
78.95894	1.8
82.68811	1.5
83.01360	1.3
85.02960	3.6
88.98790	7.4
89.02438	8.9
96.96004	2.5
96.96927	1.6
99.92619	1.5
101.02421	4.7
109.02963	20.6
110.36539	1.3
113.02442	4.1
119.03487	3.4
119.05001	5.1
120.72357	1.5
121.02953	71.2
135.04491	4.3
153.01933	52.8
157.75055	1.3
161.02402	3.5
163.04057	1.5
165.01871	1.6
179.03535	2.9
181.05064	74.9
195.03040	14.1
203.77422	1.4
255.05023	6.9
263.09189	2.9
302.05325	1.5
315.07205	94.1
316.07544	8.9
342.11243	2.2
360.06403	2.7
379.08139	3.6
379.17188	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	378.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06622	1.1
58.94363	1.2
59.01369	7.0
61.98833	21.0
69.60477	7.6
82.01957	1.3
89.02449	1.6
105.01938	9.4
131.37164	1.2
137.02399	3.6
138.70027	1.5
141.01909	2.2
150.67554	1.3
165.01938	6.2
181.01367	2.4
182.02203	35.4
183.02972	100.0
184.03293	4.6
315.07202	70.9
316.07550	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	377.1601
Annotation	3-Oxo-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Peak:m/z	Relative Intensity
54.68642	1.9
57.03430	2.6
59.01374	19.0
61.98810	4.6
69.03454	11.4
69.15363	1.7
76.72223	2.0
83.01379	8.0
83.04992	2.1
87.00877	2.2
92.05053	2.9
93.34255	1.9
107.05032	4.8
149.06111	3.0
149.09706	2.7
161.09715	3.2
177.12872	2.8
179.03590	1.9
187.07669	2.8
188.08441	4.2
189.12740	2.9
202.09923	4.7
203.14359	2.7
205.12309	14.5
211.13397	3.1
213.12703	4.0
231.13902	23.8
232.14154	3.0
247.90114	1.9
261.01697	1.8
333.13535	2.9
341.10840	2.2
341.41779	1.9
359.14951	61.9
360.15372	5.6
377.16010	100.0
378.16132	13.8
392.56650	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1603
Annotation	3-Oxo-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Peak:m/z	Relative Intensity
57.03438	2.4
59.01371	5.6
61.98829	2.7
69.03448	6.2
69.30406	8.8
83.01397	6.6
87.04498	6.6
94.80301	1.1
95.05033	1.1
97.06591	1.8
103.37877	1.1
106.18597	1.1
107.05012	4.1
109.06595	2.5
109.11836	1.1
135.08159	1.6
148.08948	1.4
149.06094	2.9
151.07605	3.6
153.72017	1.3
161.09718	3.7
162.06856	2.8
163.11238	1.7
166.76001	1.1
173.06131	1.3
175.11217	1.9
176.08476	1.3
177.12820	4.5
179.03476	1.9
187.11278	1.9
188.08379	3.4
194.18858	1.2
201.09198	1.8
202.10059	1.5
203.14444	1.2
205.12334	18.4
206.12656	2.0
213.12892	4.0
231.13853	14.3
237.07655	2.0
261.07675	2.4
273.14938	1.1
279.08887	1.7
289.11044	1.4
289.14447	2.7
333.13525	7.5
341.10870	2.2
359.14966	21.0
360.15430	3.2
377.16019	100.0
378.16415	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	377.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43856	0.8
59.01360	2.9
61.33339	0.8
61.98820	1.4
70.99107	1.7
71.01386	1.2
83.01376	1.0
85.02967	0.9
87.00877	1.2
88.98810	1.4
89.02438	1.8
89.06097	0.9
98.89875	0.9
109.02905	1.4
110.99184	0.9
124.98665	1.0
127.51984	0.9
131.85170	1.0
133.02946	2.9
134.03777	1.6
135.04520	62.8
136.04825	3.3
137.02344	1.0
139.00308	1.6
142.93983	0.8
149.06046	1.1
161.02437	15.0
162.02829	1.2
168.00612	3.3
169.25873	1.0
175.04031	1.1
177.05492	1.1
179.03487	100.0
180.03856	5.8
186.51286	0.9
196.00117	2.2
197.00888	2.2
203.03546	9.2
221.04543	1.3
228.07101	0.9
341.08575	19.5
342.09079	2.7
359.06183	6.2
377.08072	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	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.6
69.62073	17.0
71.01378	20.0
78.95873	2.7
87.00880	3.3
88.98779	5.3
89.02442	29.7
96.96949	4.9
101.02434	9.0
113.02431	7.6
119.03487	10.8
120.92656	3.2
131.03502	3.3
135.04541	21.8
157.39571	3.0
161.02400	16.2
161.04536	5.9
173.00957	3.7
179.03474	10.4
179.05576	13.2
185.02187	4.8
197.02065	3.2
215.03307	15.4
251.31194	3.4
253.31032	3.1
341.11026	100.0
342.11035	8.6
360.23434	3.9
377.08490	97.6
378.08862	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51988	4.2
59.01112	5.7
59.01379	65.1
62.67352	4.4
83.01371	9.0
87.06336	4.6
125.09653	6.4
137.09692	12.0
148.40851	5.3
153.01889	8.3
155.10779	100.0
156.11125	4.8
171.10254	26.4
199.09738	19.9
211.13260	5.2
217.10736	36.8
229.50670	5.8
261.05432	6.2
261.09647	8.3
273.13354	26.8
274.61435	5.7
291.14502	93.7
292.14639	11.1
333.15604	46.1
334.15720	10.3
335.03189	5.4
377.07773	6.1
377.16080	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	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67062	0.2
57.03442	1.0
58.00593	0.3
59.01374	1.4
61.98845	1.0
65.20464	0.2
69.03456	0.4
70.70491	0.5
70.70824	0.3
71.01385	0.5
71.05025	0.2
73.02932	0.4
83.04994	0.2
85.02967	0.3
87.04507	0.6
88.41222	0.2
89.02468	0.2
97.06560	0.3
99.00932	0.2
101.02483	0.3
109.06575	0.4
116.03966	0.2
123.08202	1.2
125.09695	0.2
135.08150	0.6
139.11284	0.7
141.09201	0.4
141.12856	0.6
149.56808	0.2
153.09221	0.5
157.12344	1.6
162.88446	0.2
169.12323	0.8
171.13911	0.2
185.11809	2.6
187.13321	0.2
211.90120	0.2
212.90948	0.7
215.12921	1.3
293.21201	0.3
309.24283	0.2
311.22263	0.7
327.21841	0.4
327.25409	0.5
329.23300	2.7
339.25391	0.5
348.74997	0.2
355.24869	0.4
357.08081	0.2
357.26419	3.0
358.26846	0.3
373.25928	2.1
374.26157	0.5
375.27481	100.0
376.27817	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.5
59.01377	43.4
60.01699	0.8
67.51891	0.5
69.55405	2.7
71.01378	21.9
72.99302	2.0
73.02937	1.3
83.01374	1.7
85.02950	5.6
87.00882	1.2
89.02441	18.4
95.01392	1.9
101.02436	13.8
113.02444	7.6
119.03500	5.7
157.13780	0.5
163.87518	0.5
195.13913	8.7
213.14906	4.3
357.18933	0.8
375.20209	100.0
376.20563	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42064	1.8
59.01380	24.2
59.70712	2.0
61.98826	5.7
63.61368	1.7
69.22744	1.8
69.53075	7.1
69.53500	6.3
78.66071	2.1
95.05026	35.2
96.35376	2.1
153.88794	2.2
195.13841	12.6
207.23056	2.0
220.55283	1.9
223.13358	8.3
246.12309	16.3
275.19955	6.5
276.20502	2.2
278.11319	90.9
279.11627	6.7
293.21201	100.0
294.21622	12.4
315.19379	21.9
338.12137	5.7
375.13312	2.3
375.21353	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00592	0.2
59.01379	1.0
59.01645	0.2
60.11648	0.2
61.64564	0.2
61.98814	0.3
66.50358	0.2
69.03439	0.4
70.99999	0.2
71.01362	0.7
71.05032	0.4
71.52663	0.3
73.02930	0.4
81.03470	0.3
83.01366	0.3
83.05017	1.2
85.02949	1.0
87.04513	1.0
92.47369	0.2
97.06573	0.8
101.02446	0.5
101.06079	0.3
109.02953	1.0
109.06580	0.5
111.08157	1.2
113.02419	0.2
113.09726	0.3
123.08136	1.3
125.09769	0.3
135.08145	0.4
137.09772	0.2
138.06885	0.3
139.11292	0.6
141.01904	0.4
141.09193	0.4
141.12830	0.6
145.05064	0.6
148.95743	0.2
153.01862	0.3
153.09177	1.0
156.18770	0.2
157.12332	1.8
161.02382	0.2
169.12291	1.1
173.08174	1.0
185.11795	2.3
191.65260	0.2
205.01381	0.7
215.12868	1.4
247.12010	0.3
251.20020	0.3
287.22260	0.3
293.21176	0.3
311.22314	0.6
327.21741	0.3
327.25281	0.4
329.23233	2.3
330.23547	0.4
339.25397	0.4
355.24905	0.3
357.07855	0.3
357.26428	3.3
358.26797	0.5
373.25922	2.4
375.07254	0.9
375.27475	100.0
376.27798	11.6
376.32715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.7
70.51655	1.5
74.98724	0.5
74.99065	2.8
88.98972	0.5
93.00158	1.0
130.55385	0.5
143.05367	0.7
149.00957	1.1
159.08470	11.3
160.08694	0.6
161.06374	1.9
167.35295	0.5
187.58626	0.6
209.01248	2.2
217.07109	1.2
255.23232	0.8
257.23822	1.0
275.06018	0.6
277.07486	2.1
289.07495	2.0
291.09088	95.8
292.09225	12.6
309.10049	0.7
357.13675	1.5
359.15320	100.0
360.15479	17.2
375.18430	10.7
376.18634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84435	1.4
69.84848	2.1
74.99088	2.0
93.00146	0.7
143.05338	1.7
159.08449	10.5
161.06427	1.6
173.00713	0.5
188.41669	0.7
209.01259	2.7
217.07220	1.6
275.05884	1.1
277.07529	2.1
289.07529	2.2
291.09091	93.7
292.09235	11.2
309.10062	1.1
320.85477	0.6
357.13635	0.8
359.15317	100.0
360.15512	16.7
375.18420	9.6
376.18591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03427	1.7
58.00592	5.4
59.01379	100.0
60.01139	0.9
60.01709	1.4
61.98824	2.3
67.65285	1.2
69.19717	8.2
69.20121	2.1
71.01380	61.7
72.99326	6.2
73.02940	5.9
75.00853	1.2
77.32764	1.0
78.50545	1.0
83.01398	5.4
85.02940	17.3
87.00853	3.1
89.02441	59.8
95.01387	3.8
99.00881	1.9
101.02437	44.9
111.08096	1.3
113.02451	20.8
113.06159	1.2
119.03499	34.4
125.02428	1.0
125.15031	1.4
131.03564	1.7
138.03278	1.8
143.03488	3.2
149.04527	3.1
159.02956	1.2
161.04567	5.4
167.03497	2.5
169.12332	1.2
177.09171	1.9
179.05621	7.2
193.88246	1.1
213.11278	2.5
271.11975	1.1
299.10406	7.1
315.18042	1.4
333.19089	4.7
343.09229	2.4
357.08240	3.0
357.15399	6.2
375.16537	98.4
376.16873	13.0
385.13223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1809
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
52.47599	0.2
59.01376	0.4
61.98851	0.3
64.22744	0.2
68.27504	0.2
69.99329	0.2
70.51768	0.6
78.11675	0.2
78.95889	1.2
105.03475	0.5
107.05037	0.2
117.03470	1.3
132.02174	0.5
133.02960	19.7
134.03793	1.5
134.89503	0.2
135.04530	23.2
136.04868	0.9
137.02429	0.5
138.82845	0.2
148.05177	0.3
153.69226	0.2
161.02438	100.0
162.02762	5.4
179.03493	7.7
180.03882	0.5
183.13905	2.1
191.05312	0.2
195.13887	1.9
213.14949	9.3
214.15288	0.6
222.24359	0.2
289.18201	0.3
316.02563	0.3
318.29697	0.2
357.17099	2.0
375.18085	38.4
376.18427	5.3
376.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1306
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01866	0.5
55.34899	0.4
56.25852	0.4
57.01605	0.4
57.03436	0.8
59.01378	18.1
61.98824	2.0
64.58797	0.4
71.01378	6.8
71.51714	0.4
73.02937	1.7
83.01363	1.3
85.02949	2.9
87.00876	1.1
89.02435	3.9
99.00877	1.1
101.02442	5.8
109.02927	0.7
113.02454	2.3
115.00338	0.9
115.04023	0.5
119.03493	1.8
122.20052	0.5
125.02424	0.8
125.09700	0.5
131.77673	0.4
133.02957	0.5
140.94801	0.4
144.08199	1.8
146.04587	0.5
152.07169	0.9
153.02005	0.5
153.07593	0.6
153.09181	0.6
159.02946	0.6
161.02419	1.1
161.04576	2.7
161.05714	0.4
169.07666	1.3
175.02505	0.5
177.01933	0.6
177.09161	1.0
179.03366	0.5
179.05525	0.6
179.86609	0.4
184.08768	2.8
189.05545	0.7
194.02179	0.5
197.05908	1.5
198.06677	3.0
212.08282	23.9
213.08609	1.1
213.11218	0.6
221.86888	0.4
224.08244	0.5
225.11264	1.6
229.04753	0.4
240.06552	3.8
241.07294	11.5
242.07671	0.5
255.08849	100.0
256.09167	8.0
257.10400	0.5
272.05374	0.5
315.14459	0.9
333.18973	0.8
337.05621	2.4
357.08340	0.8
357.15521	1.7
375.12881	4.6
375.16638	8.3
375.20895	1.0
376.13013	0.7
376.17218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1446
Annotation	Ailanthone
Peak:m/z	Relative Intensity
57.03433	2.1
57.37288	0.5
59.01143	0.5
59.01382	4.7
61.98803	0.7
67.01910	0.5
71.01361	1.2
71.53561	0.5
76.70041	0.5
81.03455	3.0
83.01384	9.1
83.05023	1.5
85.02955	6.1
88.98779	1.2
88.99451	0.5
93.03449	0.6
95.01383	0.7
95.05032	10.2
97.02965	0.9
97.06557	0.7
101.02427	0.7
106.04214	1.2
106.34168	0.5
107.05029	2.0
109.02896	0.8
109.06580	2.0
111.04491	0.7
111.08104	0.6
113.02518	0.6
113.66708	0.6
121.06600	4.6
122.03698	0.9
132.05795	0.7
134.96574	0.6
135.08136	1.0
137.02423	1.5
139.39262	0.5
145.02960	1.1
146.03735	2.3
147.08136	1.2
149.09665	1.5
150.03235	1.4
173.09584	0.8
174.03099	0.7
175.11259	0.7
178.02750	0.7
187.03940	0.8
188.04842	1.3
201.12886	1.0
203.14372	7.4
212.75478	0.6
217.15961	0.9
219.13852	0.6
229.00232	0.7
229.12308	2.3
245.11777	2.4
245.15381	1.3
247.13362	14.3
248.13725	1.6
261.14841	1.2
263.12872	1.3
271.13379	2.3
273.11075	0.6
277.14484	0.8
285.03906	0.7
289.14481	2.2
310.22330	0.7
313.14453	1.6
315.12463	1.1
329.13995	1.0
331.15543	2.7
333.13440	1.0
347.15036	1.7
357.13406	3.4
358.13754	0.7
375.14465	100.0
376.14734	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	374.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22757	1.0
55.62613	0.8
59.01379	4.9
60.95353	0.8
69.18319	1.0
69.18626	8.4
71.01389	4.3
71.05021	1.3
72.00900	11.7
72.99307	4.5
75.00867	32.8
80.05797	0.8
84.02158	5.3
84.04561	1.1
86.06121	8.3
87.04500	1.4
89.02449	1.7
92.58742	0.9
97.06567	1.0
98.20716	1.4
99.08159	1.9
102.27065	0.8
109.02924	1.0
109.06586	8.1
110.02499	1.0
111.08122	1.0
112.04043	11.7
113.06034	0.9
114.05600	22.7
125.06065	1.4
127.07653	20.5
135.02979	8.8
139.07649	2.8
141.01924	1.3
143.07106	1.0
150.09177	1.5
154.05070	1.2
154.06349	0.9
154.12331	1.3
155.07086	2.4
167.10690	1.0
168.10255	1.5
169.12302	1.2
172.06192	1.1
173.08151	1.8
182.11824	2.4
183.02983	5.5
184.13268	1.2
187.09659	1.5
194.11809	2.4
209.11627	1.2
210.11343	8.4
212.12901	38.8
213.13181	2.2
216.15709	0.9
242.13876	1.3
254.10283	8.8
256.11877	100.0
257.12192	7.5
270.13324	1.3
296.11206	1.3
312.33905	0.9
314.12427	23.8
315.12650	2.6
331.97974	0.9
333.19089	1.0
343.06683	1.4
357.08469	1.0
374.14459	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	374.1606
Annotation	Acetylseneciphylline
Peak:m/z	Relative Intensity
51.74892	0.4
57.03439	0.9
59.01366	1.5
61.98816	0.7
65.00315	0.6
70.37653	0.9
70.38009	0.8
76.41026	0.4
81.03456	5.0
83.01389	9.2
90.60931	0.4
93.03447	0.7
97.02949	1.0
97.06584	0.5
107.05006	0.4
116.55504	0.4
117.98743	0.4
121.02940	0.6
121.05373	0.6
125.02474	3.8
146.09732	0.7
148.11485	0.4
161.04849	1.8
162.12851	0.7
164.14433	4.3
165.14716	0.7
176.14346	0.4
181.78227	0.4
186.12924	0.9
190.12358	3.0
204.13916	20.7
205.14247	1.6
208.13431	12.2
209.13786	0.5
228.13918	3.4
244.17039	5.6
246.14964	18.8
247.15279	1.7
263.40137	0.4
264.16019	10.8
265.16412	1.3
268.17029	1.9
270.15073	2.6
272.12952	6.0
273.13242	0.6
286.18039	0.9
288.16046	9.9
289.16287	1.2
290.13956	5.7
291.14456	0.5
306.17099	1.5
311.86063	0.5
312.16058	6.2
312.46097	0.4
313.16296	0.6
330.17072	4.6
331.17688	0.7
332.15009	19.0
333.15375	1.7
374.16043	100.0
375.16351	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	374.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.5
61.98820	3.0
69.20721	15.7
71.01379	10.8
72.00903	17.4
72.99314	6.2
73.02953	2.6
75.00869	76.1
79.65235	1.6
83.01403	1.7
83.05000	1.8
84.02159	5.6
86.06110	12.8
87.04522	1.8
97.06587	3.9
97.19828	2.1
98.20602	3.8
99.08140	3.9
108.24925	1.9
109.06571	9.9
110.02480	3.7
112.04040	14.2
113.06096	6.1
114.05605	39.2
115.00376	3.2
115.05986	1.8
120.01230	1.9
121.06625	2.2
125.06105	2.3
125.09724	1.6
127.07645	26.5
135.02972	10.9
135.04521	2.2
136.07648	2.0
137.02422	2.1
138.03238	3.1
139.07643	7.3
141.09236	3.0
154.05106	3.2
154.12340	2.6
155.07112	5.1
155.66353	1.6
156.66690	1.6
162.12866	1.7
164.10768	2.0
165.07933	3.2
168.10344	3.5
169.08730	1.5
172.06146	2.8
173.08205	2.7
175.02431	2.3
182.11868	4.6
185.08263	1.5
187.09700	1.8
188.84229	1.7
194.02162	3.2
194.11839	2.1
195.10371	2.3
201.22148	1.6
210.11386	12.2
212.12910	35.5
213.11301	2.1
224.12886	3.1
252.12364	3.8
254.10303	26.9
256.11887	100.0
257.12201	6.4
270.13446	3.3
284.11322	2.4
296.11349	14.5
314.12427	81.2
315.12848	8.6
357.08255	8.4
374.14520	7.3
375.06543	2.1
375.14978	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	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65151	0.5
59.01387	0.7
59.14452	0.4
71.20853	1.1
74.08630	0.5
83.01369	0.5
135.03003	0.4
151.45012	0.4
153.46365	0.4
255.23276	100.0
256.23587	8.9
294.20538	0.5
373.25934	2.9
374.26276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01359	3.1
61.98826	2.0
69.26752	9.3
71.04980	1.0
83.01385	1.9
83.05007	1.2
87.04502	1.2
87.97559	1.0
97.06524	1.2
121.02957	2.0
121.10227	1.8
124.37209	1.1
125.09735	1.0
139.11353	1.7
139.65903	1.0
157.12350	1.7
172.03969	1.1
185.11778	5.9
215.12863	10.9
258.06372	1.3
267.61069	1.2
325.23654	2.5
341.07712	3.4
343.24844	9.4
355.24884	4.4
371.24454	1.9
373.25916	100.0
374.26245	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	373.2592
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.84753	0.2
57.03436	0.8
58.00581	0.5
59.01369	0.9
61.98843	0.3
66.07623	0.2
71.01365	0.7
71.17584	0.2
71.40404	0.4
73.02946	0.7
76.77483	0.2
83.01379	0.4
83.05034	0.3
87.04505	0.7
95.01382	0.3
97.06578	0.9
98.68777	0.2
109.02927	0.3
121.10223	1.1
123.08166	0.9
125.09708	0.9
127.11274	0.4
134.03644	0.3
137.09682	0.5
138.77370	0.2
139.11261	1.8
141.12827	0.9
155.10733	0.3
157.12340	1.8
163.04068	0.2
165.01935	0.3
167.97775	0.2
168.00592	0.5
169.12308	1.2
171.10239	0.7
182.02220	0.4
183.02982	0.4
185.11821	4.4
193.05014	0.4
197.11888	0.3
210.05336	2.0
211.06099	1.7
211.13390	0.7
213.11317	0.7
214.12140	0.7
215.12874	9.1
216.13365	0.7
249.28386	0.2
295.22647	0.3
313.23859	1.0
325.23798	1.0
327.21750	0.3
327.25241	0.4
341.23239	0.9
343.24826	7.4
344.25217	0.8
355.24847	2.5
356.25046	0.3
371.24301	1.5
373.11566	1.8
373.25906	100.0
374.26266	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	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.91782	0.2
54.78820	0.2
57.03445	0.8
58.00594	0.6
59.01374	1.2
61.98824	1.6
69.03455	0.3
69.17991	1.5
69.18412	0.7
72.38012	0.2
73.02962	0.7
83.01387	0.3
83.05036	0.3
87.04519	0.8
97.06580	0.8
113.09703	0.3
117.01901	0.2
121.02972	0.3
121.10204	1.1
122.33647	0.2
123.08138	0.8
123.81496	0.2
125.09706	0.9
125.38699	0.2
127.11262	0.6
136.73938	0.2
137.09715	0.6
139.11287	1.4
141.09238	0.3
141.12836	0.7
155.10785	0.7
157.12340	1.5
169.12332	1.0
171.10226	1.2
179.10776	0.3
185.11815	4.0
186.12202	0.3
197.11801	0.3
203.72185	0.2
211.13376	0.4
213.11334	0.6
215.12880	10.9
216.13275	0.7
243.15822	0.3
258.87607	0.2
281.10480	0.2
293.77936	0.3
295.22858	0.4
307.22662	0.3
313.23804	1.2
325.23837	1.0
327.25317	0.3
337.23862	0.5
341.23257	0.9
343.24869	8.2
343.29092	0.4
344.25244	1.1
353.23404	0.3
355.24915	2.7
356.09747	0.2
356.25296	0.4
371.24127	1.4
373.25912	100.0
374.26279	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01873	2.2
55.44238	0.4
57.03431	1.9
58.00577	0.7
59.01383	18.8
70.82185	0.8
70.82498	0.6
71.01383	16.6
73.02941	6.1
75.00883	0.5
81.76272	0.6
82.45540	0.5
83.01385	5.7
85.02950	8.9
86.00137	1.1
87.00878	1.2
89.02451	4.6
95.01386	1.4
99.00871	2.0
101.01794	1.0
101.02441	15.7
111.00884	0.8
113.02444	6.3
119.03490	1.3
128.17410	0.5
143.56676	0.5
156.95282	0.5
211.13274	1.0
342.18088	0.5
373.18649	100.0
373.26151	3.3
374.19043	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	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84753	0.2
57.03436	0.8
58.00581	0.5
59.01369	0.9
61.98843	0.3
66.07623	0.2
71.01365	0.7
71.17584	0.2
71.40404	0.4
73.02946	0.7
76.77483	0.2
83.01379	0.4
83.05034	0.3
87.04505	0.7
95.01382	0.3
97.06578	0.9
98.68777	0.2
109.02927	0.3
121.10223	1.1
123.08166	0.9
125.09708	0.9
127.11274	0.4
134.03644	0.3
137.09682	0.5
138.77370	0.2
139.11261	1.8
141.12827	0.9
155.10733	0.3
157.12340	1.8
163.04068	0.2
165.01935	0.3
167.97775	0.2
168.00592	0.5
169.12308	1.2
171.10239	0.7
182.02220	0.4
183.02982	0.4
185.11821	4.4
193.05014	0.4
197.11888	0.3
210.05336	2.0
211.06099	1.7
211.13390	0.7
213.11317	0.7
214.12140	0.7
215.12874	9.1
216.13365	0.7
249.28386	0.2
295.22647	0.3
313.23859	1.0
325.23798	1.0
327.21750	0.3
327.25241	0.4
341.23239	0.9
343.24826	7.4
344.25217	0.8
355.24847	2.5
356.25046	0.3
371.24301	1.5
373.11566	1.8
373.25906	100.0
374.26266	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	373.1503
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
55.01868	2.4
55.45459	0.8
57.03439	1.7
58.00581	2.2
59.01379	29.7
61.98812	1.4
71.01379	28.3
71.51979	1.1
72.99284	3.2
73.02936	9.6
75.00861	0.9
83.01385	8.2
85.02950	13.1
86.00075	0.9
87.00864	3.5
89.02445	7.3
95.01389	2.5
97.02942	1.3
99.00899	4.8
101.01797	1.5
101.02439	25.3
102.02752	0.9
107.04957	0.9
109.02911	2.1
111.00848	2.4
113.02454	9.1
115.00350	2.6
119.03492	2.3
123.00859	0.9
125.02422	1.3
128.03554	0.9
133.02939	2.3
134.03751	2.0
135.04529	5.2
137.02409	2.6
145.02905	0.9
145.06190	1.5
146.04567	1.9
147.04572	1.4
149.06110	3.7
150.03239	1.3
150.05588	0.9
151.00436	0.8
151.03984	2.1
152.04680	1.4
152.07179	3.8
159.02954	1.4
161.02437	1.9
161.04530	2.9
161.05974	1.1
163.04005	4.4
164.04755	1.5
165.01929	1.2
165.05540	1.6
175.02449	3.0
177.01978	1.7
178.06311	1.0
179.03453	2.2
181.05066	17.4
182.02260	1.3
182.05678	1.4
189.05556	0.9
193.05020	2.5
195.03004	0.8
196.07396	20.7
197.07901	1.6
200.14163	1.1
210.01639	3.3
210.05005	0.7
211.09743	42.3
212.10112	2.8
223.02412	1.0
225.07652	0.8
233.04761	1.2
237.22818	0.7
241.05197	1.0
242.05754	2.5
249.07605	1.0
257.08206	2.3
277.03433	2.2
285.11392	4.6
293.06744	2.2
329.11096	1.9
337.05685	7.6
338.41760	0.8
358.12836	5.3
373.10162	4.0
373.14963	100.0
374.15323	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	373.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28657	0.6
83.01380	1.4
110.00100	0.7
111.00904	2.7
120.33501	0.5
137.02412	0.8
139.00328	2.7
139.04042	0.6
140.01149	0.8
141.01987	0.6
153.01947	2.5
165.01974	0.8
165.99071	3.9
166.99815	0.8
169.01532	0.6
178.99878	0.6
181.01395	6.8
182.02203	37.7
183.02649	2.5
183.81242	0.5
187.43997	0.4
193.01515	0.6
194.99402	1.0
205.01411	1.4
208.00037	0.7
209.00885	2.5
210.01683	95.9
211.02412	20.1
212.02870	1.0
232.20117	0.5
355.06631	0.6
373.07730	100.0
374.03580	0.8
374.08078	9.7
378.79825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
58.99130	0.3
59.01369	1.6
71.01383	0.7
71.51803	0.5
81.03455	4.4
83.01371	3.2
83.80265	0.3
95.05024	0.5
97.02953	0.4
99.04478	0.4
107.01402	0.6
107.05029	0.5
109.02959	0.7
121.02917	0.3
123.00822	0.4
123.04525	25.2
124.04836	1.0
125.02446	15.6
126.02778	0.7
128.03540	0.6
133.02975	0.4
134.67395	0.3
137.02431	0.5
139.04071	0.4
146.04549	0.7
149.02431	2.6
149.06058	1.4
151.00352	1.9
151.03979	0.7
163.04005	0.8
165.02010	0.4
167.03488	100.0
168.03816	4.5
168.22530	0.3
179.03482	0.4
191.03462	2.8
193.01361	0.4
193.05045	8.3
194.05408	0.3
209.00941	0.3
209.04552	1.1
210.01628	0.6
211.06117	12.1
212.06416	0.9
223.02423	0.4
235.06062	0.3
285.11407	0.6
301.05283	0.7
329.08612	2.9
373.07733	0.7
373.11493	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	371.2436
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.67599	0.6
55.01867	0.8
56.97604	0.6
58.34053	0.5
59.01379	4.0
61.98832	1.2
69.21101	2.4
69.21526	3.2
71.01389	0.6
73.02923	0.8
83.01382	23.8
84.01707	0.7
97.06618	1.3
98.20732	0.8
121.02950	6.2
123.00880	1.3
123.08138	1.3
124.98784	1.5
125.09751	3.0
136.05286	6.9
137.10744	0.6
139.11301	0.9
141.12784	1.1
145.01382	0.6
151.11293	0.8
153.09146	0.8
155.10767	0.8
161.02655	0.6
168.04303	3.3
169.12279	0.7
171.10258	9.5
185.11842	2.3
185.96046	0.6
191.50597	0.6
200.10388	0.8
209.06050	6.3
215.03450	0.6
215.12833	0.9
228.13646	1.1
235.09708	1.7
323.22342	1.0
324.22620	0.7
341.23303	6.9
342.23532	1.2
353.23428	1.4
356.12692	2.6
371.14951	12.7
371.24344	100.0
372.15341	1.9
372.24704	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	372.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
59.89648	0.6
61.30147	0.6
61.98828	26.1
62.20859	0.6
70.47041	1.5
70.47407	1.4
79.52669	0.6
83.01392	6.2
84.01714	0.9
121.02972	1.8
122.03234	0.8
136.05321	1.5
168.04265	0.7
172.23654	0.6
174.19823	0.7
181.01382	0.9
182.02209	1.6
188.04782	7.3
203.07106	6.7
215.03503	2.5
229.04973	2.2
230.05899	4.3
244.07375	1.9
245.08176	7.2
251.13495	0.8
254.05695	1.4
257.04501	2.5
272.06863	23.5
273.07315	1.0
287.09235	100.0
288.09555	9.4
372.06943	9.9
372.15002	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20180	1.2
56.29260	1.1
59.01371	4.7
61.98828	100.0
69.18960	1.1
71.06423	2.9
72.23445	1.4
76.49348	1.4
83.01387	10.0
84.01711	2.4
121.02937	2.9
130.83652	1.2
136.05246	1.7
159.20688	1.1
168.04195	1.9
179.39534	1.1
268.83441	1.2
288.77792	1.2
372.15118	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	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	0.8
57.03406	1.7
59.01378	11.7
67.01846	2.5
71.01383	11.1
71.52637	0.9
72.99264	2.0
73.02932	0.7
82.06303	0.7
83.00939	0.8
83.01379	11.7
85.02949	25.6
87.00874	37.7
95.01350	0.7
103.15952	0.6
111.00849	1.1
112.98781	1.7
113.02407	0.7
115.00374	31.1
115.86316	0.6
116.00669	0.7
121.02930	1.6
127.10645	0.7
129.01936	5.1
133.39339	0.6
136.05296	3.3
137.02475	0.6
142.57774	0.6
149.78758	0.7
157.01413	27.9
158.01715	1.3
168.04266	1.4
171.10239	1.2
171.38680	0.6
175.01021	1.0
175.02472	17.0
183.13875	17.7
184.14114	0.7
184.24661	0.7
185.11786	1.1
195.13902	15.6
196.14194	1.0
213.14949	100.0
214.15311	8.4
235.09779	0.6
344.20554	0.5
371.17184	59.3
371.24109	13.2
372.17603	6.2
372.24866	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69313	1.3
59.01365	3.6
61.98830	100.0
63.94176	1.2
71.52143	1.6
83.01378	11.4
84.01700	3.7
117.29709	1.4
121.02951	3.7
123.00885	1.3
136.05273	3.2
164.06493	1.5
168.04341	1.9
187.19698	1.4
218.20499	1.3
245.94788	1.3
279.18628	1.3
286.78326	1.5
289.25418	1.4
324.39218	1.4
372.15366	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	373.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10167	1.8
59.01385	3.2
69.52837	7.6
69.53250	3.4
71.01377	3.4
72.99314	2.6
73.02962	1.6
75.00874	11.4
81.03458	5.5
83.01382	26.0
87.00859	1.5
89.02423	2.3
91.01920	3.0
93.03450	6.2
95.01375	4.0
95.05051	2.1
97.02918	3.2
98.19986	3.6
105.03461	3.2
107.01402	6.4
107.05041	3.5
109.02950	6.8
111.00894	7.0
115.00349	2.7
119.05016	1.8
121.02949	3.4
123.00867	1.9
123.04546	4.6
124.01630	1.8
125.02465	10.5
134.18893	1.7
135.00851	2.8
135.03004	32.6
135.04549	4.4
137.02446	8.9
139.00381	3.6
139.03972	1.7
141.01950	4.1
149.02452	5.1
149.06058	1.9
150.03242	2.0
151.00330	3.6
151.03996	7.6
152.01134	3.0
153.01926	22.0
155.03409	2.2
161.02367	3.8
163.00294	2.0
163.04007	3.2
165.01949	12.1
165.05501	1.9
166.02745	2.0
167.03520	12.7
175.04018	2.2
177.01974	11.6
178.99893	8.1
179.03491	11.3
180.00648	1.8
181.01419	14.1
183.03035	3.5
191.03468	5.3
193.01379	5.9
193.05016	5.3
194.02168	2.6
195.02968	49.7
196.03281	2.0
199.02501	2.4
203.03450	2.4
205.01357	6.6
207.02946	6.2
209.00906	20.5
209.04449	2.3
210.01227	2.2
210.06851	3.2
219.02986	5.4
221.00937	9.0
221.04538	4.9
222.01532	2.0
223.02466	100.0
224.02693	8.7
233.00906	2.0
235.02589	2.5
237.00450	8.3
237.04034	8.9
238.00711	2.4
239.05534	4.1
247.02473	3.9
249.00397	7.2
249.03873	2.5
251.01974	2.9
255.05133	5.0
265.03482	5.3
267.01608	2.7
267.04819	2.3
272.87848	1.9
276.48105	1.7
279.97592	1.8
283.04550	36.4
284.04880	2.3
293.03003	2.8
295.00858	2.2
311.04031	5.6
313.01978	2.4
337.01910	3.4
355.03036	42.2
356.03275	3.2
373.04068	50.4
374.04480	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.48391	0.9
56.44190	0.9
58.00761	1.0
59.01377	11.6
69.03428	1.2
69.15581	9.0
71.01378	2.4
73.02934	1.2
81.03452	2.8
83.01380	51.8
84.01733	1.4
85.02928	1.2
93.03442	5.5
109.02957	1.2
109.06565	1.7
121.02941	17.2
123.00887	1.9
123.04500	1.5
123.08160	1.6
125.02430	2.5
125.06071	2.9
136.05298	15.3
137.02440	42.2
137.06039	1.8
138.03171	1.8
139.03987	1.9
149.02365	1.8
150.03290	1.6
151.03986	2.7
152.01167	1.0
152.04794	18.4
158.62964	1.1
163.03992	3.0
165.01927	30.3
165.05556	2.0
165.09215	18.5
166.02496	2.0
167.03500	1.6
168.04306	6.9
179.03500	4.9
180.04327	6.5
181.05058	31.1
182.05359	1.7
184.03766	15.1
193.04979	4.8
194.49121	1.1
207.02986	1.9
208.03752	91.9
209.04524	39.2
209.08174	47.5
210.04849	1.9
210.08485	2.0
221.04585	1.6
223.09673	2.1
227.07176	7.4
233.04587	1.4
233.08174	11.5
235.09718	3.3
251.09128	3.9
263.09225	1.2
267.06741	2.1
282.08749	1.4
297.11215	2.0
327.12277	1.9
356.12561	4.8
371.09720	100.0
371.14767	26.7
371.24234	6.2
372.10098	9.3
372.15118	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44637	0.5
55.01880	0.9
59.01377	6.4
61.98835	1.8
71.01379	1.0
83.01383	37.4
93.03465	1.3
103.00384	0.7
106.04235	0.9
107.05052	3.0
117.03443	1.1
121.02949	11.4
123.00880	1.9
133.02954	3.9
134.03746	18.6
135.04521	88.6
136.05380	7.0
137.02457	2.4
137.05696	0.8
146.57999	0.7
168.04274	4.8
172.89691	0.6
174.99269	0.8
175.04329	0.6
179.03488	100.0
180.03831	5.7
195.04953	0.7
204.51817	0.6
227.06564	0.7
235.09662	1.3
283.37323	0.7
299.11682	1.5
311.11703	3.4
329.23227	0.9
352.98837	0.8
356.12619	3.6
371.10400	1.1
371.14954	17.0
371.24268	0.8
372.15204	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
55.01880	0.3
57.03425	0.4
58.00599	0.3
59.01377	7.2
61.98814	1.0
63.02388	0.5
65.00317	0.8
67.01911	0.2
69.03449	0.2
71.01380	3.7
71.51936	0.2
72.99295	0.3
73.02913	0.2
78.95910	0.3
79.05552	0.2
81.03444	1.5
83.01380	6.4
83.05014	0.5
85.02946	0.8
87.00895	0.3
89.02443	4.0
93.03470	0.4
95.01385	0.5
96.96014	0.2
101.02437	2.6
105.03448	0.8
107.01376	1.1
109.02967	0.4
111.00854	0.8
113.02451	1.7
119.03506	1.9
119.05018	0.8
121.02945	1.7
123.00877	2.3
123.04524	6.5
124.04848	0.3
125.02452	4.5
128.03545	0.4
136.05293	1.0
137.02438	3.8
139.00380	0.7
139.03983	0.6
147.04558	2.4
148.01636	0.5
149.02428	2.1
149.06041	1.2
151.00362	1.6
151.04028	0.2
152.01082	0.5
152.04770	1.3
153.01906	0.2
163.03976	1.1
165.01907	2.8
165.05557	0.4
166.02611	0.4
167.03490	17.4
168.03946	1.3
175.02394	0.4
175.03963	0.3
179.03610	0.5
180.04202	0.4
181.05031	2.2
184.03819	0.7
191.03491	100.0
192.03850	7.0
203.03502	0.3
207.03012	0.3
207.17088	0.2
208.03755	7.0
209.04536	6.5
210.04773	0.5
215.82310	0.3
226.16283	0.2
243.06635	0.3
243.10213	0.3
251.05507	0.2
309.32156	0.2
356.12619	0.5
371.09854	19.6
371.14651	2.3
371.23569	0.9
372.10297	2.4
372.14886	0.3
391.55801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
59.01364	0.7
61.98833	8.2
66.07708	0.5
70.66056	1.3
87.45222	0.5
99.39433	0.5
125.35770	0.5
211.07594	0.5
213.05519	0.7
225.05580	1.3
226.06282	2.1
254.05826	100.0
255.06534	35.3
256.06967	3.2
267.06677	1.0
268.07355	1.1
269.04367	0.6
270.05322	1.2
271.06085	1.6
291.06671	3.2
299.05756	1.1
325.10785	2.2
351.12372	8.1
352.12784	1.4
369.13391	50.6
370.13660	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	369.2196
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
54.33941	0.3
71.50607	0.3
74.19272	0.2
78.95901	100.0
95.96187	0.9
96.96959	32.6
132.89415	0.2
177.76036	0.2
205.55734	0.2
369.21957	15.2
370.22302	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.04258	1.2
59.01368	4.8
59.94762	1.2
60.10841	1.3
61.98830	100.0
69.77811	7.0
83.00918	2.3
83.01385	33.2
83.62425	1.2
121.02955	12.4
123.00862	2.8
136.05304	8.3
136.88078	1.3
168.04256	3.9
223.97205	1.2
235.09714	2.0
356.12692	1.9
371.14926	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	371.098
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
53.29095	0.4
56.26321	0.5
57.03441	0.6
57.25433	0.5
59.01379	5.8
62.10566	0.4
63.50496	0.5
70.65519	1.4
71.01386	0.9
77.76787	0.5
79.05546	0.9
80.91687	1.2
81.03453	14.2
83.01384	12.8
84.30563	0.5
85.77404	0.5
88.23807	0.4
91.01966	0.5
93.03468	1.4
93.71061	0.5
95.01398	0.6
95.05035	0.4
97.02957	0.6
105.03461	0.7
107.01426	1.6
109.02953	1.9
119.05016	1.5
121.02973	3.7
121.06586	2.3
122.03748	0.5
123.00918	1.1
123.04520	88.7
124.04864	3.6
125.02453	2.6
130.04343	0.7
131.05029	1.4
134.99893	0.4
136.05286	4.1
137.02443	3.7
145.09822	3.3
147.04543	1.0
149.02437	5.8
149.06070	2.8
151.03935	0.8
163.03996	2.2
165.05566	100.0
166.05919	5.4
167.03496	1.3
168.04272	1.9
175.04051	0.5
177.01967	1.1
177.54832	0.5
177.56694	0.4
178.99832	0.8
179.03502	0.8
181.01363	0.7
191.03531	4.5
203.07231	0.7
205.05159	0.5
206.99339	1.6
209.00902	0.5
209.04491	3.3
235.09677	0.8
245.08199	1.0
265.61719	0.4
289.07089	5.2
311.05374	2.5
312.94717	0.5
314.64560	0.5
353.01486	1.7
371.09848	66.5
371.14636	4.0
371.17603	2.5
372.10175	7.3
390.75150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Randioside
Peak:m/z	Relative Intensity
52.14777	0.3
57.03445	5.3
59.01381	0.9
60.97277	0.3
65.00324	0.7
70.81535	0.3
70.81854	0.5
71.01402	0.9
81.03453	1.4
83.01384	8.8
89.02442	0.4
93.03439	0.4
95.05014	0.6
97.02963	1.0
101.02405	0.5
102.98596	0.6
107.01391	1.0
111.04488	0.5
113.02422	0.4
118.65398	0.3
119.03481	0.6
119.05013	0.6
119.06319	0.3
121.02943	1.4
123.00892	0.6
123.04538	2.6
124.01695	0.4
125.02443	100.0
126.02779	3.5
136.05302	1.0
137.02466	0.9
139.04018	3.0
144.74065	0.3
149.02431	11.4
150.02812	0.5
151.00339	1.9
151.03893	0.3
152.67690	0.3
161.04509	0.6
163.04114	0.5
165.01868	0.6
167.03490	12.4
168.04056	0.4
172.11665	0.3
173.02451	0.6
175.00375	0.4
179.03511	2.0
191.03448	2.0
208.03835	0.4
209.04533	18.8
210.04930	1.2
233.04530	6.3
251.05589	2.0
263.05588	0.4
287.07724	3.6
311.07849	0.7
317.14673	0.3
329.08752	1.3
353.08633	0.5
371.09769	14.7
371.14404	1.0
372.10052	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	369.1339
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
51.34492	0.4
59.01376	1.2
61.98830	1.2
63.15628	0.4
64.64427	0.5
65.99847	3.6
70.01584	1.8
73.50087	0.5
112.04073	4.3
115.74512	0.5
162.25983	0.5
187.07651	0.6
211.07680	0.7
213.05486	1.0
225.05507	1.1
226.06342	1.5
227.06741	0.6
254.05830	100.0
255.06532	34.2
256.06995	2.6
266.71909	0.5
267.06668	2.2
268.07358	1.1
279.06668	1.0
284.41644	0.5
291.06635	12.9
292.06900	1.2
293.08380	0.7
315.85385	0.6
321.15463	0.5
325.10794	3.7
351.05774	0.6
351.12360	24.2
352.12787	2.7
369.13391	44.5
370.13727	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	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18414	0.6
58.41589	0.6
59.01363	2.7
61.98811	1.0
69.03433	1.2
70.10394	1.5
70.10782	1.6
71.01389	0.6
82.01254	0.7
83.01375	4.1
85.02956	0.9
93.03380	1.5
93.07109	0.7
95.01394	0.8
95.05027	1.6
97.02940	7.8
98.20638	0.9
105.03440	1.0
106.04324	1.0
108.02159	1.7
109.02949	31.4
110.03286	1.0
119.08717	0.9
121.02958	4.2
121.06569	3.6
122.03736	2.4
123.04523	22.9
123.08149	0.8
125.02451	1.7
133.02945	0.8
133.06589	0.8
134.03740	0.6
135.04529	1.6
137.02446	1.2
137.09718	0.9
139.04048	3.2
139.07639	1.1
145.02898	1.2
146.03694	3.0
149.02425	7.1
150.03195	1.6
151.03987	8.9
159.04547	4.1
160.05270	0.7
161.02448	5.4
161.06079	6.6
161.09660	3.3
162.03209	2.3
163.03981	3.0
163.07635	2.6
173.06068	0.8
174.03264	0.8
175.03979	1.9
175.11272	1.4
176.01140	2.1
177.01793	0.9
177.05553	1.5
177.09126	0.8
177.16066	0.7
183.06520	1.2
187.03934	2.9
188.04773	1.6
189.01878	0.9
189.05554	3.8
190.02721	0.9
200.04788	0.8
202.06238	0.9
203.03473	2.1
203.07089	5.9
203.10718	1.1
205.05043	11.8
205.08620	8.8
206.08890	0.8
207.10188	6.1
213.05550	0.8
215.10767	0.9
216.04289	0.9
217.08704	7.6
219.10269	3.0
231.02934	1.8
231.06558	1.7
244.07478	1.6
245.08165	3.9
246.08856	3.1
247.06120	6.5
247.09741	1.6
255.06570	1.7
259.09824	3.7
270.05264	1.2
271.05829	1.2
281.11676	0.7
283.13446	2.0
293.04578	0.8
294.05328	1.2
301.14484	1.2
307.13367	0.9
309.20737	1.5
315.72366	0.8
325.14383	10.6
326.14780	1.2
336.38788	0.8
351.05087	0.9
369.13370	100.0
370.13702	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	369.1339
Annotation	Tephrocandidin B
Peak:m/z	Relative Intensity
65.58397	0.5
71.00263	1.0
84.09941	0.5
92.90024	0.5
98.19981	0.6
116.68829	0.6
128.26868	0.6
129.14265	0.5
143.97604	0.5
156.19795	0.6
178.82761	0.5
184.88922	0.5
238.06308	5.6
239.06563	0.7
241.05058	4.8
254.05812	1.1
266.05853	0.9
269.04486	2.2
270.05331	1.6
271.06207	2.6
279.06461	0.9
281.04550	23.8
282.05310	43.1
283.05658	3.6
291.06561	4.2
293.04572	3.2
294.05322	40.5
295.05655	4.0
299.05612	0.8
303.06525	1.6
307.05984	2.7
308.06793	1.6
333.11255	3.3
351.12338	100.0
352.12686	14.4
369.13394	43.9
370.13733	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	369.134
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
59.01365	4.7
61.98819	2.5
63.65765	1.3
69.03419	1.6
71.01361	1.5
75.28634	1.3
83.01381	9.2
83.03538	1.5
85.02952	1.5
93.03445	2.8
95.01364	2.4
95.05009	2.4
97.02946	11.6
109.02942	34.0
110.03224	1.5
111.00841	1.5
117.03510	1.3
121.02938	4.8
121.06543	3.9
122.03706	2.8
123.04516	26.3
123.08141	1.3
124.01619	1.8
125.02410	3.4
135.04518	4.6
137.02379	2.5
139.04004	5.0
145.02974	2.5
146.03705	5.5
149.02428	11.5
150.63058	1.3
151.04005	11.0
159.04480	4.7
161.02451	5.7
161.06046	9.2
161.09726	2.1
162.03156	5.0
163.03960	4.2
163.07655	2.4
165.01929	1.7
174.03157	1.5
175.03932	3.0
175.07553	1.7
175.11147	1.9
177.05569	4.2
177.09183	1.3
185.06169	1.4
187.03979	4.6
188.04727	4.4
189.05518	3.3
189.09157	1.4
190.02536	1.7
203.03543	1.9
203.07100	8.4
203.10730	1.7
204.04179	1.4
205.05046	17.0
205.08665	9.2
207.10204	9.0
213.05511	1.5
213.14963	1.9
215.14421	1.3
217.08569	6.2
219.10254	4.3
222.61531	1.5
231.02945	3.3
244.07350	1.4
245.08217	5.8
246.08789	3.0
247.06117	8.1
259.09683	4.8
283.13434	1.9
292.51981	1.3
307.13568	1.6
325.14453	14.9
369.13354	100.0
370.13745	16.1
375.39005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23546	0.3
51.57945	0.3
59.01370	0.7
61.98827	100.0
62.98540	0.3
69.31583	1.9
71.01392	0.6
71.92680	0.2
72.96388	0.2
74.87486	0.3
83.99842	0.2
85.36010	0.2
89.02467	0.4
92.22051	0.3
95.53607	0.3
98.20605	0.5
114.05605	0.9
114.52103	0.2
115.00352	0.4
116.92950	0.3
117.01929	0.9
137.02437	0.3
139.07678	0.4
165.01955	0.4
169.40381	0.3
172.01779	0.3
173.08142	0.3
175.02486	1.3
213.07571	0.5
247.68544	0.3
273.09656	0.6
339.91360	0.3
358.57526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77899	0.5
54.28661	0.5
61.98828	100.0
69.37526	3.9
75.15678	0.5
76.25397	0.5
89.02457	0.7
107.96338	0.5
115.00377	0.8
117.01974	1.5
143.71680	0.6
151.07681	1.0
170.23770	0.5
173.08200	0.7
175.02481	1.7
211.09674	0.7
213.07753	0.8
219.05119	0.5
233.81772	0.6
256.34320	0.5
317.10934	0.5
323.28168	0.5
391.77332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32043	1.1
57.82768	1.1
59.01370	3.8
61.98810	5.6
69.21328	10.4
77.98045	1.2
83.01369	2.4
85.02972	1.3
88.48467	1.2
93.03432	1.9
97.02944	3.1
97.75222	1.3
98.19881	2.3
100.53798	1.3
102.26471	1.2
109.02950	15.7
109.96402	1.1
121.02920	1.6
121.06586	8.1
122.03735	1.9
123.04523	10.7
125.02408	1.6
129.01917	1.2
133.06702	1.1
139.06639	2.3
139.07652	35.1
140.07985	1.9
146.03694	1.3
149.02432	3.6
151.04028	6.2
159.04483	1.7
161.02393	2.6
161.06026	4.7
162.03262	1.3
163.07600	2.9
176.01242	1.4
183.06628	40.1
184.06859	2.8
185.11794	3.4
188.04796	8.1
189.05397	1.8
201.09201	1.5
203.03429	2.1
203.07167	9.3
203.12854	5.1
205.05038	3.8
205.08675	4.9
207.10213	3.1
215.03412	2.2
215.10635	1.3
217.08687	2.9
219.10255	1.7
229.04970	2.4
230.05774	3.0
231.03017	1.5
240.04102	1.4
241.05000	10.8
242.05739	4.6
244.07387	1.7
245.08165	8.4
246.08850	1.7
247.06075	1.8
247.09662	1.3
269.07919	1.4
270.05313	88.1
271.06064	67.2
272.06812	26.0
273.07205	1.4
287.09238	100.0
288.09555	6.8
325.14346	5.6
369.13376	89.7
370.13763	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	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01445	0.6
61.98810	0.8
67.09688	0.6
70.59180	1.7
70.59523	1.1
133.06581	8.7
149.09720	69.9
150.10057	4.0
194.09416	1.0
205.15962	42.3
206.16350	4.5
245.73190	0.7
295.17020	2.6
328.16849	1.7
367.26392	100.0
368.26733	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
56.18464	0.5
59.01370	0.6
59.89780	0.5
61.98819	1.0
62.00050	0.6
63.57426	0.5
67.47358	0.5
68.31523	0.6
70.33891	1.6
120.53433	0.6
133.06609	1.7
149.09711	82.0
150.10066	4.7
205.15956	80.9
206.16299	7.5
367.26398	100.0
368.26755	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	368.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16887	0.4
57.35758	0.3
61.98828	100.0
70.03916	1.5
111.04507	0.4
125.02441	2.6
137.02464	0.8
139.04013	1.0
145.96741	0.3
165.01945	0.8
167.03510	0.6
197.44148	0.4
215.13235	0.3
219.06586	0.4
305.06668	5.6
305.10089	0.4
372.05283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26620	2.0
57.95580	1.6
59.01376	12.2
60.01734	1.8
61.94888	1.7
61.98827	40.7
69.03461	14.7
69.28908	1.6
71.01380	16.8
71.50683	1.6
72.99314	8.8
73.02952	3.1
75.00868	2.5
78.95008	2.0
85.02930	6.4
87.00874	35.9
88.98796	4.7
89.02447	2.6
101.02446	1.8
113.02439	18.7
115.00366	52.0
125.02429	16.8
129.01889	2.3
133.01411	10.1
139.04002	2.9
157.05054	17.2
167.03450	7.4
169.01418	27.5
175.02472	100.0
175.06001	16.3
176.02853	3.8
191.05615	12.9
195.05057	9.3
275.96210	2.4
278.07513	1.9
297.33612	1.8
331.06622	6.6
384.87686	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	367.103
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.87748	0.4
59.01376	34.1
60.01698	0.4
61.98827	21.5
68.99773	0.4
71.01377	1.7
73.02952	1.9
75.00888	0.7
83.01376	0.7
85.02946	0.9
87.00877	0.6
89.02498	0.7
91.05548	1.2
93.03459	2.4
95.05016	0.8
99.00874	0.5
100.96991	0.5
101.02447	1.5
102.98599	0.4
107.05051	1.2
111.00906	0.6
112.98805	0.5
113.02418	0.8
114.98586	0.8
117.03481	1.5
119.05022	7.8
121.02933	1.4
128.96521	0.5
129.01950	0.8
135.02989	0.6
135.04514	13.0
136.04843	0.6
142.99887	0.5
145.02950	7.2
161.02478	0.6
161.04536	0.9
161.06013	0.8
162.03224	1.1
163.03998	81.5
164.04349	4.0
165.01920	0.6
167.03447	1.3
173.00916	1.0
177.05577	0.5
187.03931	0.7
191.03474	0.4
204.07938	0.7
205.05040	100.0
206.05371	5.7
206.99635	3.1
247.03159	0.4
247.05975	0.7
304.42233	0.3
305.06909	0.6
307.08237	1.5
307.17554	2.7
329.08813	0.5
367.10214	8.3
367.18741	1.6
368.10272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1547
Annotation	Edulenol
Peak:m/z	Relative Intensity
52.05229	0.8
69.54568	5.6
71.52399	0.7
95.37738	0.8
109.84587	1.0
141.28038	0.7
235.07613	5.5
254.05942	1.3
278.05853	1.6
279.06598	55.0
280.07080	5.7
292.07419	1.6
293.08203	2.9
307.09720	6.2
308.10550	11.2
309.11050	1.5
323.12854	100.0
324.13217	12.3
340.09277	1.2
367.15472	26.8
368.15851	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	367.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80017	2.3
59.01371	7.9
61.98827	100.0
70.01590	3.0
70.01970	3.5
79.86995	2.2
98.20540	4.0
102.14286	2.3
108.63239	1.9
167.17111	2.0
214.58972	2.2
254.05817	30.9
255.06517	26.2
367.12195	10.2
367.16153	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	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98016	0.3
52.20611	0.4
57.54847	0.4
59.01379	100.0
60.01709	0.8
61.98831	5.5
66.15737	0.4
69.55959	0.7
69.56361	2.3
71.01371	2.5
73.02949	1.0
83.01411	1.1
85.02962	1.7
98.19890	0.5
99.00893	0.5
101.02440	3.0
111.00866	0.9
113.02464	1.5
120.01334	0.4
123.04535	1.1
125.02541	0.5
135.04546	0.5
143.04713	0.5
145.02963	0.7
145.08713	0.9
159.02979	0.7
161.04562	2.1
161.06282	0.4
161.79478	0.3
167.03471	3.9
167.04605	0.4
173.00923	0.5
191.03625	1.2
194.48114	0.4
204.08075	0.5
206.99722	0.8
209.04680	0.4
231.14232	0.4
307.17633	9.6
307.21027	0.6
308.18033	0.8
329.08951	1.0
332.53180	0.4
367.14438	0.5
367.18921	1.6
368.17969	0.4
371.87766	0.4
371.95190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01377	100.0
60.01714	1.2
61.98830	13.2
66.51427	0.7
69.38422	0.6
71.01376	12.8
71.51986	0.7
72.99312	0.6
73.02949	3.9
76.02083	0.6
83.01411	2.3
85.02953	6.1
87.00896	1.3
89.02460	2.7
90.11398	0.6
95.01376	1.3
99.00888	2.6
101.02438	10.6
112.98829	0.7
113.02454	6.3
114.98602	1.3
119.03498	0.7
135.02997	2.2
142.99846	1.1
143.03511	1.1
145.02939	1.7
156.99611	0.8
159.03032	2.2
161.04547	18.7
161.05905	1.0
167.07259	0.7
173.00977	1.3
206.99724	2.6
225.16171	1.1
287.05902	0.8
305.06940	1.0
307.17609	32.8
308.17923	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84904	0.5
59.01382	1.2
61.98829	100.0
63.97949	0.4
64.39684	0.4
69.00433	0.4
69.22968	1.1
69.23385	2.5
71.01419	0.5
72.86349	0.4
72.99265	0.5
87.00915	0.6
88.36040	0.4
89.02444	0.8
95.42569	0.4
116.61594	0.4
117.01944	1.2
125.02441	0.8
135.02991	0.5
142.99899	1.0
153.05533	0.4
154.94003	0.4
173.01033	0.7
174.01723	0.7
193.05045	0.6
225.07779	0.8
303.05124	0.8
325.69888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1552
Annotation	Isatidine
Peak:m/z	Relative Intensity
59.01361	1.3
61.98832	2.8
68.99818	0.9
71.01370	1.2
71.07154	1.3
80.76641	0.6
83.53540	0.7
96.99300	0.9
99.60603	0.5
118.02972	1.8
128.03545	0.7
128.13997	0.6
132.19656	0.6
150.37231	0.6
163.02725	1.4
164.14386	2.3
176.03535	0.9
176.14597	0.6
177.04295	12.5
178.04631	0.7
190.05084	1.0
190.12405	2.7
204.13882	2.0
208.13399	3.8
209.03265	4.4
215.55876	0.6
222.14960	1.0
234.14934	1.2
242.05437	0.6
262.14426	0.8
277.61383	0.6
286.04358	0.8
288.09235	0.9
288.12390	16.8
289.12796	1.4
306.13443	98.0
307.13736	9.4
318.13596	1.3
348.14581	1.7
366.15536	100.0
367.15836	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	367.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.2
61.98843	2.9
71.01384	15.7
71.17632	4.1
72.99306	5.1
73.02934	2.4
83.01391	2.7
85.02943	6.0
87.00877	30.0
87.92529	2.7
89.02386	2.1
93.41168	2.1
101.02466	2.4
105.01920	2.6
113.02433	7.8
115.00373	48.4
129.01959	4.7
147.03020	4.4
157.04996	2.5
173.04488	3.1
175.02470	100.0
175.05981	4.6
176.02791	3.0
191.01904	5.1
191.05518	3.7
262.37543	2.3
276.73682	2.2
334.90460	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	365.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60882	2.2
50.89223	2.2
58.99578	3.2
59.01382	15.5
65.02071	2.6
67.74192	2.1
69.76058	12.8
71.01382	8.7
83.01375	2.9
85.02948	2.6
86.45725	2.4
89.02442	3.8
100.25407	2.3
100.69341	2.5
101.02444	9.1
102.98569	2.8
113.02428	3.4
129.68166	2.8
157.12291	3.9
172.03748	2.2
203.12941	11.4
313.46509	2.4
365.18121	100.0
366.18463	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04833	0.3
57.03438	0.3
59.01379	1.6
61.98820	0.5
69.89294	0.3
71.35870	0.4
78.95867	0.5
81.20099	0.3
87.00871	1.2
89.30596	0.3
105.01933	4.4
105.62463	0.3
106.02213	0.4
112.48099	0.4
114.58739	0.3
122.61131	0.3
127.07626	0.3
144.45670	0.3
165.30104	0.3
194.11787	0.3
209.63274	0.4
233.12404	0.3
247.07700	0.6
255.21704	0.3
259.20673	0.6
277.21704	100.0
278.22021	10.5
365.23361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	25.2
61.98816	100.0
71.53230	38.0
76.93194	23.4
104.06184	22.1
158.32269	23.5
180.82893	22.8
233.75972	22.3
248.40584	23.5
249.66505	23.0
262.28220	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01381	1.5
61.98829	100.0
68.57334	0.5
69.23772	2.0
69.24204	2.7
71.01383	0.7
81.56445	0.5
83.01390	1.4
89.30667	0.5
101.60202	0.5
107.01372	1.1
109.02943	1.3
123.04528	1.3
125.02445	19.9
126.02831	0.6
145.03011	0.5
149.02422	1.2
150.03255	0.8
150.50366	0.5
151.00397	2.0
151.04034	1.3
152.01172	2.4
153.01973	3.3
175.04010	3.4
177.01927	4.6
178.99904	1.9
180.29070	0.5
181.01466	0.9
188.04721	0.6
189.05618	1.3
193.04788	0.5
199.04048	1.1
209.49562	0.6
217.05077	1.6
233.78661	0.5
241.05072	1.6
253.77388	0.5
259.06244	0.9
275.05734	1.4
285.04028	15.3
285.07101	1.1
286.04385	1.2
303.05112	15.7
304.05518	1.3
365.63077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.7
59.39783	0.5
61.98828	100.0
71.01382	0.9
71.52675	0.5
78.95917	2.2
83.01409	0.5
101.02451	0.4
104.48800	0.4
123.48528	0.4
143.10779	9.7
151.00372	1.0
152.99603	3.7
165.01955	1.2
178.99930	0.7
211.13376	9.2
212.13756	0.7
222.07729	0.4
241.14381	0.7
265.14407	0.7
273.03806	0.5
283.15533	0.7
299.83685	0.4
301.03613	1.8
301.16650	1.0
345.35892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47290	3.4
58.28212	4.0
59.01380	97.0
60.01709	12.1
61.01807	5.0
61.98830	100.0
69.98222	3.8
70.06163	14.8
72.23100	3.9
79.53951	4.0
94.34763	3.4
137.22279	4.5
219.06909	10.8
220.07249	18.9
244.50558	4.6
288.13513	9.6
302.16861	5.4
303.16415	10.6
304.16602	96.4
305.16623	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	365.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.9
61.98832	6.4
71.01385	3.0
74.25721	1.1
85.02969	1.3
89.02416	2.4
93.36861	1.0
99.86613	1.0
101.02436	1.3
108.02171	25.7
113.02437	1.5
116.05065	1.6
119.82795	0.9
123.04533	15.7
137.02373	0.9
148.04097	1.5
152.01147	31.5
153.01678	1.0
159.03090	1.0
160.04039	40.6
161.04489	1.2
162.05592	1.3
166.26753	1.1
167.03490	100.0
168.03818	2.7
178.05106	2.5
184.06068	1.0
192.93610	0.8
204.03001	1.7
242.11980	1.2
285.12466	3.6
289.07098	1.4
305.12540	1.2
329.08560	10.7
365.13812	1.8
366.08444	9.6
366.12964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.7
59.01388	9.3
61.95434	3.2
65.75985	2.8
68.92091	3.5
71.01383	38.6
71.50943	4.8
73.02950	7.1
80.70435	2.8
83.01377	7.9
85.02966	13.6
87.00861	21.3
88.98796	6.1
92.58006	2.9
93.03462	11.5
96.96000	4.1
99.00881	29.4
110.05915	3.4
111.00880	39.9
111.04553	7.7
112.98812	100.0
115.00407	7.0
124.98842	3.9
129.01076	3.6
129.01903	19.4
142.99872	60.3
160.39702	3.3
173.00916	75.8
173.04541	12.9
174.01334	3.7
175.02444	5.6
191.01967	8.2
191.05618	51.6
218.90605	3.4
311.04205	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	365.1604
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
59.01373	2.5
61.98820	0.7
67.01884	0.9
69.03446	1.0
69.20867	3.0
69.21276	0.5
71.01366	0.6
79.01885	1.0
79.42841	0.4
81.03429	0.6
83.01390	0.7
95.01402	2.0
96.50083	0.3
97.02943	1.4
107.01391	1.5
111.00859	1.2
123.00890	16.4
124.01719	0.9
125.02444	44.3
126.02769	1.5
136.98793	0.5
138.99475	0.6
139.00388	6.6
140.01199	1.7
141.01942	2.1
148.62521	0.3
151.00366	26.8
152.00743	0.9
158.28134	0.3
168.00661	0.7
169.01421	37.8
170.01747	1.4
181.01347	0.9
183.13924	3.3
195.13930	3.7
213.14952	21.2
214.15250	1.7
321.17010	0.6
347.14957	8.4
348.15262	1.1
365.16016	100.0
366.16342	11.3
366.20786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74385	0.6
55.01870	2.1
57.03433	0.6
59.01377	22.9
61.98825	1.4
64.18089	0.5
69.50309	3.3
71.01378	12.3
73.02943	85.3
74.03298	1.4
75.00909	0.6
77.96093	0.7
83.01398	3.0
85.02947	6.8
87.00864	1.4
89.02441	2.4
98.20684	1.0
99.00883	2.2
101.02435	12.9
113.02444	4.7
119.03480	0.9
124.87699	0.6
143.04698	0.6
159.03076	1.0
159.04488	0.8
161.04562	4.5
167.03502	1.4
173.29080	0.7
185.11749	1.3
203.12845	0.7
233.04767	0.7
289.08380	1.2
291.14459	3.9
335.67670	0.6
347.16922	1.7
365.18124	100.0
366.18469	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	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	1.0
70.52625	2.4
74.27341	0.9
90.19360	1.0
122.35970	1.1
129.07912	1.1
203.54288	1.1
301.16452	1.2
364.23596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98828	100.0
65.98242	0.6
70.98891	0.8
70.99200	0.7
71.01349	1.6
72.99313	2.9
73.91295	0.5
78.27535	0.6
78.95899	4.2
84.74487	0.6
86.11121	0.7
96.96965	3.0
101.02421	0.9
106.06439	0.6
109.02934	0.9
119.05027	1.9
137.02434	1.9
141.05623	0.8
163.04050	2.1
164.04329	0.8
179.03494	0.8
182.01738	0.8
289.07300	1.1
363.16302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58958	0.3
56.25087	0.3
59.01380	1.8
61.98828	100.0
69.98325	0.7
69.98718	0.7
71.01372	1.1
73.02937	0.5
88.98804	1.0
89.02467	0.7
101.02440	0.5
111.00897	0.3
111.29995	0.4
117.00355	0.3
123.04575	0.6
125.02458	0.5
130.16183	0.3
136.44595	0.3
141.67265	0.3
166.11403	0.3
167.03487	2.4
169.27254	0.3
172.25427	0.3
183.02928	1.1
184.03297	0.8
231.99469	0.4
234.50345	0.3
244.10779	0.5
257.12912	0.9
269.14560	0.4
299.07962	0.5
363.16437	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	362.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41956	0.8
57.03446	4.6
59.01365	1.1
67.01896	2.3
69.94110	3.4
71.01375	3.2
72.99312	0.9
76.00708	0.7
78.95919	1.5
85.02949	20.7
85.98057	0.8
87.00873	32.4
89.02468	0.8
96.04559	0.9
96.96971	1.6
111.00879	93.5
112.01215	2.1
115.00374	8.6
124.76913	0.7
127.03994	0.8
129.01949	5.6
130.99838	1.0
133.01418	17.9
134.01715	0.9
154.99886	1.1
171.03017	0.8
173.00882	4.5
175.02449	2.6
191.01964	100.0
192.02306	3.4
222.25220	0.8
222.51138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12774	0.9
56.35067	1.0
59.01361	4.4
59.01620	0.9
60.99303	10.8
61.96749	0.9
67.41656	1.0
69.23706	2.1
69.24115	6.7
73.81522	0.9
81.03473	0.9
83.01376	2.5
88.98801	100.0
111.00875	2.6
175.02284	1.3
181.01421	2.0
258.72980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93533	1.0
57.03447	2.0
59.01377	13.7
60.99309	13.3
61.98821	3.1
67.67970	1.0
71.01369	3.6
73.02942	1.4
82.02971	9.1
83.01387	2.3
85.02945	1.9
88.98801	100.0
89.02438	2.3
89.80501	1.1
101.02469	2.9
111.00880	1.8
113.02473	1.6
115.00350	2.4
120.99641	2.5
122.06121	2.5
136.04063	7.2
137.02396	1.1
153.01974	1.9
159.08131	1.7
164.03542	9.1
175.02444	2.4
181.01389	2.4
187.97180	1.1
194.04570	5.2
196.06154	5.2
201.10884	1.3
244.09760	1.4
245.09305	1.6
287.10376	20.1
288.10614	2.0
331.09204	10.9
363.12048	2.8
363.16632	5.4
363.23990	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1236
Annotation	Di-O-methylcarpachromene
Peak:m/z	Relative Intensity
58.16074	1.2
59.01383	9.7
61.98825	1.6
70.02163	1.0
71.05009	2.3
80.58951	1.1
111.83786	1.1
165.88080	1.0
210.18156	1.2
221.98187	1.1
247.07610	6.6
248.07924	1.5
248.36436	1.1
249.21918	1.0
254.05855	1.2
261.09177	1.8
277.08673	2.3
278.05820	4.7
279.06641	3.9
282.26428	1.1
291.06610	90.3
292.06943	10.0
295.71445	1.3
303.06454	1.3
303.10770	1.2
304.07401	11.4
305.08145	17.2
306.08533	2.7
307.09570	1.2
317.08185	2.8
329.08368	1.5
333.07742	3.5
334.08328	2.2
345.11252	2.2
350.92023	1.0
363.12347	100.0
364.12674	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	361.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27447	2.0
53.27892	2.1
54.62701	1.7
59.01378	4.5
61.92020	1.9
65.48581	1.7
69.58595	1.8
69.70735	8.7
69.71162	3.5
83.01389	4.0
85.02996	2.1
89.02467	2.0
98.20614	2.4
111.00887	15.7
120.99358	2.4
136.98831	1.9
137.02402	2.8
139.00374	52.7
141.01941	12.0
153.01910	13.6
154.02701	3.1
154.99843	3.7
156.00629	5.5
157.01326	3.3
169.01405	5.2
181.01418	78.4
182.01764	3.2
198.01678	24.8
199.02411	3.6
260.17212	2.0
305.16565	2.1
319.06723	9.7
324.69620	2.2
361.07730	100.0
362.08099	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	361.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13068	0.7
59.01378	1.4
63.10623	0.9
65.55637	0.8
68.70811	0.6
69.19063	3.4
69.19489	2.9
69.78464	0.8
71.01357	1.4
80.53884	0.6
83.01370	0.9
89.38999	0.6
95.01368	1.3
96.02158	0.7
97.02907	1.9
99.00870	4.9
109.02930	1.6
111.00883	3.9
113.02443	1.6
119.05041	1.0
123.00898	2.3
124.01651	2.1
125.02473	5.1
128.01109	0.7
137.02434	1.2
139.00349	1.8
140.01141	2.8
141.00868	1.1
141.01938	15.6
142.02225	0.8
152.01149	15.4
152.74252	0.9
153.01938	12.7
154.02661	2.9
155.03534	0.9
163.00368	2.1
163.03969	1.5
165.99065	1.9
166.99725	0.9
168.00629	19.2
169.01419	21.2
180.00635	13.5
181.01425	20.8
182.01701	1.1
193.01411	1.3
197.00853	1.3
198.01688	62.6
199.02451	27.6
200.02736	1.2
205.71605	0.7
211.02435	0.7
343.06583	2.2
361.07727	100.0
362.08157	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	361.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30565	0.6
59.01376	2.2
65.00352	0.8
71.01360	1.5
83.01390	1.9
89.02431	1.0
98.20777	0.8
109.02904	1.0
111.00887	0.9
119.05013	2.5
125.02491	0.9
135.37277	0.6
136.98784	1.0
137.02417	0.9
145.02968	2.1
152.01181	0.7
152.15755	0.5
153.01936	13.4
153.99010	0.8
154.99901	2.2
163.04022	3.5
165.01947	0.5
168.00587	1.1
169.01375	2.2
170.01152	0.8
181.01416	27.4
181.98616	0.6
182.01794	2.4
182.99318	0.7
193.01398	3.6
195.02937	1.7
196.00020	0.6
197.00912	13.7
198.01686	100.0
198.61990	0.5
199.02444	20.1
200.02708	0.7
211.02509	1.7
223.02390	0.9
236.06155	0.5
239.38208	0.6
286.54208	0.6
315.07584	0.6
343.06631	1.4
361.07712	59.6
362.08109	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	361.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39731	1.8
59.01374	46.7
61.98826	96.7
63.40210	1.6
71.01376	17.0
71.50890	2.5
71.51297	2.3
73.02956	4.9
78.95892	7.4
85.02953	7.8
93.03473	2.6
95.01379	5.7
96.96928	6.8
97.49277	1.8
99.00918	2.3
101.02427	9.6
109.03001	2.1
111.00883	2.4
113.02436	6.8
119.05014	5.7
121.02942	5.1
121.81818	1.9
123.00875	100.0
123.04523	2.1
124.01704	11.1
137.02443	7.2
138.03217	76.1
139.00360	2.2
139.04021	28.2
143.03470	3.9
147.51318	1.7
149.02489	3.0
151.03911	2.4
153.01906	3.6
153.14667	1.9
159.03021	2.9
161.04553	28.2
163.04024	10.2
166.02722	2.9
178.02588	2.2
181.01411	4.3
181.05016	9.9
198.01675	5.7
199.02448	2.3
236.63672	2.4
249.74751	1.8
297.10449	2.6
301.09277	48.7
361.07532	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.01164	0.6
57.03449	1.7
59.01377	9.2
71.01375	1.4
71.05021	0.8
71.52184	0.7
73.02951	2.5
77.41476	0.5
83.01382	0.7
85.02950	0.7
87.04521	2.6
89.02472	0.6
95.01367	0.9
98.13574	0.5
101.02432	0.8
101.06068	0.9
109.06627	0.8
113.02458	1.7
115.00386	1.1
115.07686	1.1
123.21252	0.6
125.02453	1.9
125.09749	0.6
133.01430	1.8
135.08159	1.2
137.09706	10.3
139.00359	0.7
155.10770	93.1
156.11066	5.5
165.01880	0.6
169.12349	0.8
173.11891	0.7
181.01355	0.7
181.05104	0.8
181.08679	1.2
199.09741	100.0
200.10051	6.6
213.11180	0.8
215.32027	0.6
241.10797	4.7
273.20642	0.6
301.20126	6.2
302.20303	0.7
319.21219	19.5
320.21500	2.1
361.09030	1.2
361.14914	1.6
361.22260	12.4
362.22522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.5
59.01378	18.7
60.27414	1.2
63.46406	1.2
70.37124	3.2
78.74345	1.3
113.89386	1.1
279.23264	100.0
280.23676	10.8
361.15247	3.5
361.23557	21.5
362.23907	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	359.1862
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
54.66803	0.6
59.01372	1.0
61.98801	1.1
69.43662	2.0
69.44090	2.4
71.01383	0.7
83.01385	1.1
117.03466	14.2
119.05029	17.5
145.02948	100.0
146.03275	4.9
163.04016	11.3
164.34740	0.7
168.00552	0.9
178.10812	0.6
182.02168	0.7
183.13898	1.3
195.13916	2.3
197.00841	0.7
213.14948	9.1
298.01172	0.6
359.06030	1.1
359.14969	1.5
359.18631	22.2
359.23117	1.1
360.18933	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.4
61.98821	0.6
66.02934	0.5
69.87762	0.5
70.06788	1.2
70.07179	1.2
109.17233	0.5
158.46089	0.5
177.91473	0.5
185.47392	0.7
277.21704	100.0
278.22031	12.9
304.25510	0.6
332.53131	0.6
359.15112	1.0
359.22015	24.2
360.22540	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	361.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78006	3.3
51.39945	3.0
54.70333	2.7
59.01385	6.5
59.78448	2.7
61.98811	9.7
69.72378	7.1
69.72791	12.3
78.95927	5.7
84.90122	2.7
86.72890	3.2
98.20647	4.3
119.05023	79.0
120.05394	4.3
125.02399	4.4
125.11506	3.2
137.02394	11.3
141.01920	7.5
152.01122	4.7
153.01831	3.5
163.03989	100.0
164.04308	5.4
168.00603	8.0
169.01382	10.9
181.01405	7.0
198.01744	29.6
199.02402	5.3
299.07690	3.5
310.26782	3.5
348.89893	3.7
361.07785	36.7
362.08060	4.6
376.01257	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1498
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
54.69636	0.5
57.03434	2.0
59.01371	0.9
65.00325	1.0
67.01887	0.7
68.99801	0.8
69.03434	1.1
69.19831	4.8
70.51882	0.5
70.86719	0.5
71.04990	0.7
80.02658	0.6
81.33786	0.5
83.01384	15.3
83.05027	0.8
85.02951	3.1
87.00802	0.5
87.04515	1.0
87.59338	0.5
90.51691	0.5
92.99845	0.8
93.03455	2.3
95.01386	2.8
95.05003	0.8
97.02946	1.2
97.06577	3.4
98.00080	1.0
98.19948	1.3
105.07072	1.3
107.01380	0.8
107.05022	1.6
108.02168	0.7
109.02962	1.2
109.06569	2.4
111.00833	1.2
113.06070	2.2
118.40098	0.5
121.06608	2.6
123.04562	0.6
123.08163	8.2
135.04572	0.8
136.01656	1.0
136.98766	0.8
137.02449	7.0
137.05984	0.6
139.00359	0.9
139.03947	0.9
141.01929	0.9
141.05655	0.7
147.08113	0.7
149.06125	0.7
149.09746	0.7
151.03986	1.0
153.01929	5.1
155.03491	1.1
163.04054	0.6
163.07637	1.0
165.01891	1.6
165.05574	0.6
168.00610	0.8
171.04469	1.8
174.06931	0.6
175.07555	0.9
175.11212	0.7
177.12856	5.6
179.03375	0.6
179.07097	0.6
181.01382	2.8
182.02199	17.2
182.65924	0.6
183.02628	1.0
183.06577	4.8
187.07692	0.7
189.05498	1.0
192.07877	0.7
193.05063	0.6
201.05600	0.7
203.03383	0.7
203.07051	0.6
203.14400	1.3
207.02872	0.8
207.06718	0.6
213.12772	0.9
214.06024	0.6
217.05151	0.6
217.08662	0.9
218.05777	0.8
221.00862	0.7
229.05083	0.7
229.12222	0.7
231.13846	3.1
235.06160	2.3
237.19260	0.7
241.05060	1.4
243.02930	1.1
257.04474	2.8
259.06113	8.2
269.15323	0.7
287.05627	3.4
315.12531	0.8
331.08218	1.2
331.15451	1.7
341.13812	1.3
344.95322	0.6
345.16977	0.5
359.07526	3.4
359.14963	100.0
360.08527	7.5
360.15274	11.5
360.19553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1497
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
57.03428	1.7
59.01376	2.7
65.00320	1.1
67.01881	0.7
68.99819	0.9
69.03453	1.0
69.27703	3.5
69.28117	1.0
71.05010	1.0
83.01382	15.6
84.52896	0.6
85.02945	6.4
92.99841	1.2
93.03451	1.3
95.01384	2.3
95.04980	1.0
97.06570	1.4
104.21687	0.6
105.07094	1.5
107.05022	2.0
109.02927	1.0
109.06585	0.8
111.00858	0.8
121.06580	3.4
123.04519	1.3
123.08156	10.2
124.01677	0.9
126.72737	0.7
133.06607	0.8
135.08162	1.0
136.01656	1.6
136.98833	0.7
137.02422	5.8
137.06071	1.3
138.03189	0.6
139.07617	0.8
149.06023	1.2
151.03973	1.0
152.01233	0.5
153.01929	4.0
154.89056	0.5
155.03491	1.6
159.04459	0.7
159.11890	0.6
163.07715	0.9
165.05432	0.7
175.04005	0.9
175.11223	0.8
177.12813	5.5
181.01448	2.0
182.02196	13.0
183.06587	1.2
189.05527	0.9
199.13466	0.6
203.03528	0.8
203.07011	0.6
207.03003	0.8
213.12865	0.9
217.08656	0.8
218.05800	1.2
229.12338	1.1
231.06595	0.6
231.13869	2.3
233.04449	1.1
235.06062	2.3
243.06459	0.7
243.48141	0.6
244.07422	0.6
247.13470	0.7
297.14954	0.6
299.18536	1.4
313.14487	0.7
315.16074	0.6
317.19601	5.7
318.19995	0.7
331.15457	0.9
341.13907	1.4
359.14975	100.0
360.10867	0.8
360.15222	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	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60749	0.9
59.01377	1.4
65.00315	1.6
65.63338	0.8
66.91592	0.9
67.01862	1.0
69.03457	1.6
69.14867	8.2
76.95818	0.8
82.25542	0.8
83.01382	22.8
85.46381	0.9
89.02448	1.1
97.02950	1.3
98.20415	4.9
102.02677	0.9
108.02164	3.8
109.02951	9.3
110.03278	1.1
111.00869	2.0
115.00351	0.9
121.02899	1.0
123.04523	1.6
124.01633	0.9
124.98759	1.4
125.02452	1.1
138.99333	1.5
139.00372	27.8
140.01134	4.4
141.01926	2.5
147.04539	1.0
148.05286	1.3
149.06036	1.1
152.98314	1.9
153.01915	3.8
161.06041	5.2
166.99832	5.1
168.00636	53.3
169.01418	17.6
172.00090	3.0
181.01511	1.0
194.99301	2.4
196.00119	38.9
196.01917	1.9
197.00896	31.5
198.01253	1.9
211.02513	2.0
212.77995	0.9
221.00905	2.6
222.01392	1.2
223.01260	2.0
224.02065	1.2
225.26765	0.8
235.02356	1.4
242.05771	8.4
243.06548	2.5
267.04007	1.6
269.08255	1.3
271.09802	18.3
272.10013	1.5
282.90799	0.8
331.06601	5.6
332.06842	1.0
337.56406	0.8
359.06152	100.0
360.06461	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	359.0983
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
55.01842	0.5
55.36638	0.4
58.15897	0.5
59.01372	1.2
61.76466	0.4
62.89880	0.4
65.50190	0.4
69.03454	0.6
69.39892	3.1
71.01384	0.7
73.02927	0.5
81.03460	0.5
83.05003	0.5
85.02960	0.8
91.05559	0.7
95.01382	0.8
97.02950	2.3
99.00881	2.0
101.02405	0.5
107.04977	0.5
109.02981	0.6
110.00124	0.5
111.00883	1.9
111.04477	0.5
122.03766	1.0
123.00871	0.9
123.04533	0.8
125.02452	0.4
126.48872	0.3
126.57597	0.4
135.04526	2.6
138.43216	0.4
139.00369	2.5
140.01141	2.6
141.01903	2.1
151.04016	6.7
153.01907	0.9
153.05504	1.0
155.03477	0.7
165.99081	2.3
166.99849	1.3
167.03481	3.0
168.00638	12.0
169.01006	0.6
169.04929	0.6
176.07729	0.4
178.02762	0.9
179.03499	9.0
179.86642	0.4
180.03909	0.5
181.01395	0.9
181.05043	0.5
195.03020	3.8
196.03757	100.0
197.04530	93.0
198.04901	4.7
200.03322	0.5
208.03706	0.6
209.04468	2.4
221.04579	0.4
227.06703	0.7
243.11411	0.5
261.05725	1.0
299.18448	0.7
315.13495	1.3
317.19589	2.4
341.08698	0.5
359.09808	77.6
360.10168	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	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95082	0.4
59.01384	3.3
61.98828	0.7
71.01379	1.7
71.34120	0.6
81.03449	0.5
83.01379	2.8
85.02944	0.9
87.00871	0.8
89.02428	0.9
92.29010	0.4
93.03483	0.7
96.00881	0.5
96.04520	0.8
96.96029	2.8
100.90038	0.4
101.02429	1.1
107.01386	1.1
107.05013	0.6
108.02175	0.6
109.02935	5.0
113.02448	1.3
121.02946	1.5
123.00924	0.6
123.04520	11.1
124.04023	0.5
125.02437	6.5
133.02950	7.2
134.03709	1.1
135.04521	100.0
135.48509	0.5
136.04860	4.4
137.02444	9.5
138.02890	0.5
139.04019	3.0
149.02435	7.7
149.06046	1.1
151.00377	3.7
151.03983	0.6
153.01930	19.0
153.05591	5.2
154.02322	1.0
161.02437	27.7
162.02760	1.7
165.01956	0.6
167.03476	4.2
175.04022	1.3
177.05568	1.3
178.99924	0.7
179.03502	6.1
184.06303	0.5
191.03487	0.9
194.13892	0.4
197.00832	0.6
197.04539	1.7
203.03500	4.2
209.04520	2.4
221.00964	0.9
221.04567	1.2
223.01523	0.7
237.09381	0.5
242.05894	1.3
257.07751	0.9
271.09753	1.9
281.06802	0.5
297.09924	0.8
298.10953	0.5
315.07281	0.9
329.08783	0.7
341.08612	4.3
359.06107	3.3
359.12463	2.5
360.12866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1246
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
59.01375	2.1
61.98819	2.8
65.00308	0.8
69.63653	4.4
71.01370	1.0
72.00902	10.3
72.99312	4.6
75.00836	0.8
83.01389	7.8
84.65314	0.6
88.47134	0.8
95.01472	0.8
97.08462	0.8
98.19987	0.8
99.00851	0.9
101.02467	0.9
104.83995	0.8
107.01402	3.5
109.02951	1.5
111.00870	1.3
121.02962	0.9
123.04488	3.3
123.05300	0.7
125.02461	1.2
135.04529	7.2
139.00356	9.4
140.01093	1.5
141.01961	1.8
153.01929	3.6
153.05461	0.9
161.02452	0.9
166.99838	1.8
168.00626	23.9
169.01402	7.5
172.00037	1.0
178.99873	4.4
179.03401	4.0
180.06610	1.3
181.06503	1.6
184.25203	0.7
193.05038	0.9
193.06618	6.0
194.06967	0.8
194.99416	1.0
196.00117	16.4
197.00868	11.5
197.04532	8.2
197.06108	1.2
197.09290	1.1
207.08093	5.1
209.06050	2.2
209.09525	1.3
211.07622	2.6
212.08282	0.8
218.57663	0.9
219.08084	12.1
220.08426	0.9
221.00922	1.3
222.09128	1.1
223.01395	1.9
223.07547	5.7
224.08414	7.0
225.09184	6.7
234.09215	3.1
235.07585	1.8
235.85486	0.8
236.10736	2.1
237.05579	1.8
237.09195	23.0
238.09521	1.9
240.10292	3.2
241.11038	1.7
242.05772	2.6
243.06581	1.3
250.06372	1.1
251.07381	0.8
252.10303	6.4
253.08597	1.8
254.08191	2.5
254.11836	8.4
256.07455	5.9
257.07620	0.9
263.07126	7.4
267.08997	1.3
268.07181	1.7
268.09720	2.4
271.09680	1.5
273.09940	1.4
279.50162	0.9
280.09747	8.7
281.08145	9.4
282.08365	1.1
285.10104	1.4
296.09253	2.0
297.07712	1.4
297.12454	1.1
298.10806	9.6
299.08011	0.9
300.06354	1.6
313.11829	6.0
314.10428	2.1
315.13577	1.8
317.08997	3.1
324.08716	6.0
331.06525	1.5
341.11398	34.7
342.09863	4.4
359.06131	33.4
359.12427	100.0
360.06448	3.3
360.12817	11.6
360.17511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31919	0.7
62.51334	0.7
65.00308	1.5
68.99814	1.2
69.03439	1.4
69.31814	0.6
69.42025	2.0
69.42447	3.1
73.62979	0.7
83.01381	23.5
83.35355	0.6
86.48223	0.7
92.28661	0.7
97.02935	1.3
98.19865	1.2
111.00875	1.3
112.01640	0.6
112.98808	0.7
124.01679	0.7
124.98759	1.0
139.00375	26.8
140.01181	5.4
141.00194	0.6
141.01945	4.6
142.99788	0.7
151.24274	0.8
152.98337	1.8
153.01921	1.7
166.99835	3.5
168.00638	58.7
168.79834	0.8
169.01414	18.2
172.00127	3.3
194.72838	0.7
194.99306	2.8
195.02988	1.4
196.00131	44.5
197.00897	30.2
198.01312	0.9
211.02449	2.1
289.34464	0.9
300.53452	0.8
313.90054	0.8
331.06616	4.0
359.06149	100.0
360.06601	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	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62484	0.8
53.49258	0.7
56.54379	0.8
65.00319	1.8
65.19728	0.8
67.01918	0.8
68.99806	1.0
69.03445	2.3
69.86227	4.0
81.03408	1.0
83.01385	24.2
97.02927	1.9
107.01394	1.4
111.00883	1.1
112.01596	1.0
124.01646	1.6
124.98772	1.4
134.65269	0.9
139.00371	33.3
139.03952	0.8
140.01137	7.1
141.01923	5.1
152.98328	1.8
153.01935	3.2
166.99818	4.3
168.00635	66.6
169.01419	21.7
172.00134	3.4
194.99327	2.5
195.02965	0.9
196.00119	47.1
197.00883	34.3
198.01241	1.6
211.02467	1.5
331.06723	3.6
359.06168	100.0
360.06543	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
59.01368	1.7
67.01884	0.5
69.43497	0.6
69.43916	1.0
69.51057	0.2
71.01386	0.5
75.00846	0.2
79.01883	7.5
79.73759	0.2
80.02209	0.3
81.03461	0.4
83.01366	3.8
83.01820	0.3
85.02959	0.5
87.00884	0.6
93.03448	0.3
95.05000	0.6
97.02940	0.3
107.05022	0.2
109.02951	1.0
111.00874	0.3
117.70912	0.3
121.02945	0.4
122.03758	0.3
123.00867	0.7
123.04528	0.8
125.02429	2.8
130.08733	0.3
134.06149	0.4
137.02438	12.1
137.06024	0.2
138.03221	59.2
139.03508	1.9
141.01906	0.2
149.02434	1.1
151.00348	3.2
151.03983	1.0
152.01131	0.3
153.01924	1.7
154.19469	0.2
161.02441	0.2
163.03961	0.3
165.01929	2.1
165.05540	0.3
166.02702	19.8
167.03485	19.8
168.03839	1.2
170.02197	21.9
171.02556	0.9
175.03984	0.6
176.04301	0.3
177.01927	0.5
178.02776	0.2
178.05055	0.5
179.03494	1.0
181.05177	0.3
189.01839	0.3
191.03545	0.3
193.01402	0.4
193.05133	0.3
194.02188	55.6
195.02933	15.1
195.06673	0.4
196.03372	0.9
207.02937	0.7
207.04967	0.5
209.04573	0.4
221.04535	0.8
226.01228	1.1
315.06870	0.3
329.08722	1.0
339.07034	0.6
357.08231	100.0
358.08554	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	358.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71859	0.5
56.97326	0.5
57.03451	1.0
59.01371	7.1
63.62617	0.5
67.88181	0.5
69.25132	4.2
71.01382	1.8
73.02933	0.8
74.02466	0.6
83.01378	1.3
85.02938	1.7
87.03994	0.6
96.04550	0.7
101.02426	0.7
108.08189	100.0
109.02949	1.2
109.08540	3.9
110.56049	0.5
113.02415	1.4
117.05826	0.9
119.03800	0.8
120.08193	3.4
124.03989	0.5
128.03445	0.7
129.19763	0.5
132.08197	1.9
134.06117	0.5
135.04413	0.7
138.01947	0.8
139.00429	0.7
148.04037	2.2
148.07680	1.5
149.04807	1.0
149.06029	0.9
151.04010	1.2
152.07159	80.0
153.07527	4.6
159.04308	0.6
161.02443	2.9
162.43886	0.6
163.06367	1.3
164.07082	1.4
165.02074	0.5
166.08723	17.7
167.02159	1.1
168.00691	0.6
168.02959	0.9
171.02223	0.6
171.10222	0.8
175.04001	0.7
176.07091	1.4
183.02888	0.8
194.08215	9.7
195.01695	0.7
195.08379	0.6
196.06128	59.4
197.06447	3.1
197.11739	1.2
227.06761	1.1
228.07515	0.6
238.07184	11.1
239.07452	0.7
239.12903	0.6
241.10889	0.7
243.12369	0.7
245.87282	0.6
261.05515	1.3
268.08185	0.8
285.13449	0.6
298.09314	6.6
299.09482	1.1
299.18716	2.5
317.19662	12.3
340.11807	5.5
341.12161	0.6
344.12613	1.2
358.07602	2.2
358.11389	10.1
359.06131	0.6
359.15192	2.4
359.20752	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03434	0.3
59.01375	1.6
61.98820	1.8
67.01903	0.3
69.61137	0.4
69.61554	0.8
71.01381	0.8
75.00882	0.5
79.01421	0.5
79.01887	8.0
80.02251	0.4
81.03473	0.3
83.01384	3.7
85.02960	0.7
87.00885	0.7
89.02450	0.6
92.93443	0.2
93.03464	0.4
95.05041	0.5
97.02963	0.6
97.06623	0.2
97.52532	0.2
98.20641	0.4
99.00893	0.3
101.02441	0.3
104.50160	0.2
107.01356	0.3
107.05050	0.2
109.02941	1.0
111.00864	0.3
111.98750	0.2
113.02421	0.3
117.01940	0.2
121.02964	0.3
122.03788	0.4
123.00864	0.7
123.04527	0.8
124.07631	0.3
125.02449	3.0
130.08682	0.3
135.04553	0.3
137.02441	12.5
137.06041	0.3
138.03226	54.5
139.03693	1.8
141.01932	0.3
149.02434	0.9
150.03250	0.2
151.00369	3.1
151.04025	1.3
152.01102	0.5
153.01945	1.4
161.02412	0.2
163.03952	0.4
165.01936	2.0
165.05559	0.2
166.02705	19.6
167.03490	17.1
167.04962	0.5
168.03873	0.6
170.02202	22.7
171.02560	1.0
175.03960	0.4
177.01955	0.5
177.05626	0.3
178.99855	0.3
179.03499	0.8
191.03400	0.4
193.01404	1.9
193.05095	0.2
194.02191	59.9
195.02919	12.8
195.07735	0.8
196.03375	0.7
197.27567	0.2
207.02974	0.7
207.05063	0.7
209.04494	0.4
219.02954	0.4
221.04517	0.4
224.03262	0.2
226.01157	1.0
237.03986	0.4
272.20435	0.3
315.07355	0.4
329.08755	0.9
339.07126	0.5
357.08252	100.0
358.08636	9.1
358.12784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35292	0.5
50.35575	0.5
51.48032	0.6
52.99562	0.6
59.01378	3.4
59.28044	0.6
69.77641	3.0
71.01376	2.4
72.99296	1.8
75.00867	17.5
83.01367	6.7
87.00878	1.0
88.98818	1.8
89.02452	3.5
93.03456	2.5
95.01360	0.6
98.19934	1.1
99.00883	0.7
105.03461	1.6
109.02962	0.8
113.02419	0.9
115.20417	0.6
123.00942	0.7
123.04499	0.9
125.02387	0.9
129.01888	0.9
135.02992	32.8
137.02440	2.5
138.03178	2.8
139.03990	0.6
141.01938	2.5
149.02412	4.2
151.00359	2.4
151.04045	1.1
153.01869	1.4
165.01921	25.3
165.04071	2.5
166.02454	1.9
166.99837	0.7
167.03488	7.9
168.03775	0.6
169.52602	0.7
170.02159	0.8
177.01854	0.7
178.99889	0.8
181.01530	1.5
183.02974	2.3
193.01411	14.0
194.02122	3.0
195.02985	4.9
207.02904	1.0
209.00876	8.7
211.02542	4.3
221.00890	100.0
222.01234	6.0
223.02419	2.6
235.02725	0.9
237.00461	3.0
239.01898	6.3
265.03455	1.5
266.93268	0.9
267.01318	3.6
297.11722	0.7
311.04218	0.8
339.03534	1.5
357.04364	1.3
357.08411	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	357.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
68.64706	0.6
69.78432	3.2
69.78957	0.6
71.01364	1.5
72.99284	1.4
75.00478	0.9
75.00876	16.4
83.01371	6.4
85.88747	0.6
89.02426	2.9
93.03476	1.0
98.19958	0.9
105.03463	1.8
107.01347	0.6
109.02978	0.6
117.01942	1.0
121.02989	1.4
123.00895	0.9
135.03000	31.8
136.03343	1.1
137.02419	1.3
141.01904	1.1
143.91026	0.6
149.02448	3.0
151.00412	1.2
151.04047	1.0
153.01941	1.0
165.01936	23.0
166.02367	0.8
167.03471	6.5
177.01974	0.7
178.99828	1.4
181.01427	0.8
183.02998	2.2
193.01404	12.3
195.02957	4.1
209.00920	7.7
211.02441	4.9
218.49561	0.6
221.00905	100.0
222.01254	5.9
223.02443	2.0
235.02388	1.3
237.00377	3.5
239.01950	6.5
253.03423	0.8
265.03531	1.2
267.01456	3.0
313.05722	1.1
339.03210	1.5
357.04538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43017	0.7
55.01875	0.9
59.01389	4.7
61.98825	2.2
70.56843	2.4
78.60475	0.8
79.01888	9.7
82.11454	0.9
83.01382	17.6
85.02959	1.4
93.03500	1.0
93.06243	0.8
95.05064	1.2
97.45364	0.8
105.41189	0.8
109.02979	1.4
111.10459	0.9
121.02959	6.7
122.03760	2.3
123.04516	2.7
125.02451	2.0
137.02423	12.3
137.06052	2.4
137.43172	0.8
138.03227	53.9
139.03596	2.5
147.04591	1.5
151.00372	3.2
151.04007	2.7
152.01033	1.1
153.01962	1.5
163.04042	1.0
165.01933	1.7
166.02707	20.0
167.03497	24.5
168.03874	0.9
170.02200	31.8
171.02544	1.3
179.03510	1.4
194.02190	55.8
195.02942	16.9
196.03374	0.8
207.03009	1.2
217.68361	0.9
221.08298	1.0
224.03294	1.0
226.01216	1.6
315.25467	1.3
357.08310	100.0
357.13373	15.8
357.26431	2.1
358.08652	9.7
358.13654	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31807	0.4
57.77177	0.5
61.98829	100.0
69.74799	0.4
70.39319	0.9
70.39684	0.8
83.01395	1.0
121.02986	0.9
122.01373	0.4
126.76214	0.5
127.84705	0.4
148.84695	0.5
158.43077	0.4
221.15657	0.7
236.10475	0.5
282.36670	0.5
368.85873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20761	3.9
53.23377	3.2
61.98829	100.0
68.65961	3.5
70.74441	7.9
71.42838	2.9
73.56411	3.3
74.76817	3.9
78.93131	3.4
83.01380	27.0
84.95219	3.5
109.40975	3.7
121.02953	14.8
122.03721	5.3
137.06116	6.0
194.14922	3.5
224.29582	3.9
257.06940	4.0
267.14215	3.6
292.99664	4.2
356.15509	4.8
357.13409	34.0
357.26700	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.1
59.01384	12.0
61.98827	3.3
65.24369	1.3
68.99815	2.0
71.01385	13.7
71.52245	1.4
78.95908	8.4
79.01888	2.2
80.34729	1.3
81.68028	1.6
82.95412	5.8
83.01382	20.8
85.02928	4.0
87.00874	5.8
93.03471	7.8
96.00845	1.4
96.96953	4.3
96.99332	1.4
99.00877	2.4
101.02433	4.9
102.98616	1.6
109.02931	3.3
111.00874	3.1
113.02432	3.6
113.77198	1.6
115.00381	17.2
117.03466	2.8
119.05014	13.8
121.02941	2.9
122.03761	2.1
123.04545	3.1
125.02438	2.2
127.00381	3.9
129.10336	2.4
130.08725	4.6
131.05046	2.3
133.02954	2.8
133.06602	7.7
135.04568	1.9
135.36418	1.5
136.01654	1.7
137.02441	6.5
137.06058	1.8
138.03203	13.7
139.00359	10.1
145.02977	10.6
145.06256	4.8
147.04514	17.9
149.02440	1.6
149.06078	10.2
151.03973	6.2
152.04744	1.9
157.01399	11.5
159.04550	2.9
161.02495	2.0
161.04694	3.0
161.06068	9.4
163.04013	4.7
165.05553	2.4
165.09178	2.1
166.02679	4.8
167.03464	6.1
167.07080	2.2
170.02162	6.7
173.06042	4.0
175.02487	28.6
175.03952	3.2
177.05576	26.6
180.04306	8.8
184.05057	1.6
185.06081	2.8
189.05533	6.0
191.25223	1.7
193.01292	3.7
193.05058	6.6
194.02194	14.6
195.02881	4.3
195.06636	17.3
203.07173	9.1
215.07184	2.4
217.05005	16.6
221.04535	100.0
222.04797	7.2
229.04980	2.9
240.36755	1.8
261.04016	50.8
262.04248	2.6
277.07086	6.4
291.05148	6.1
303.05051	30.0
321.06128	88.2
322.06610	8.1
335.61285	1.7
356.61823	2.2
356.65747	1.5
357.04080	2.8
357.08194	20.7
357.13235	12.0
358.08524	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	356.1498
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
55.82289	1.0
57.03425	1.4
59.01379	2.5
61.98828	5.1
70.05951	3.8
73.02938	3.7
81.03456	15.2
82.12891	0.9
83.01382	21.5
84.26604	1.0
98.19965	1.3
120.08160	1.8
121.02991	3.2
122.03761	1.2
123.04472	2.2
125.02445	2.1
134.09712	2.8
166.02707	2.4
172.11270	2.5
174.09224	16.0
183.01152	1.6
184.07736	1.4
190.12335	3.0
214.12350	18.2
215.12704	2.5
228.13893	12.3
229.14333	1.5
230.11809	14.5
231.12202	1.9
240.10301	2.8
246.14902	3.2
256.13400	5.6
270.14896	2.1
282.11292	1.3
296.12927	1.5
305.99380	1.1
312.15973	1.9
314.14035	6.1
315.14108	1.4
356.15015	100.0
357.13940	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	356.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72412	0.4
56.22903	0.5
57.03442	1.2
57.75214	0.4
59.01374	0.8
61.98814	1.1
68.01407	0.5
68.99805	0.5
69.03451	0.7
69.43861	3.1
71.01379	0.9
71.05015	1.3
80.02682	0.5
80.05054	3.2
81.02177	0.5
82.06612	1.8
83.01396	1.3
83.05016	1.1
84.04539	1.9
85.02949	1.2
85.06560	0.5
89.90833	0.5
92.05043	0.8
94.02963	0.5
96.04548	3.4
97.06585	1.1
97.72062	0.5
98.02486	0.5
98.06105	4.3
99.04506	5.2
99.08181	0.6
107.08665	0.7
108.04546	1.3
109.02861	0.5
109.06605	0.8
110.02468	1.4
110.06126	3.3
110.06757	0.6
122.06123	1.9
123.03236	2.1
123.04491	2.4
123.08183	0.7
124.04038	2.1
124.07673	0.5
125.01174	10.6
125.06064	0.7
126.05592	2.4
127.04009	0.8
127.07668	1.2
136.03986	1.0
136.07700	1.5
138.01961	1.6
138.03052	0.6
139.07639	0.6
144.84151	0.5
149.08453	3.2
150.05600	1.6
150.09219	0.6
151.07623	0.6
152.08420	0.8
152.10861	0.8
153.09169	0.8
154.05115	2.3
162.12877	0.9
164.07254	0.5
164.10805	2.9
165.07925	8.2
165.09277	0.7
166.08710	10.1
166.34198	0.5
178.12346	1.5
180.10287	1.6
180.13910	0.8
190.12363	5.0
191.12695	0.6
196.13417	0.6
198.11372	0.9
206.11777	1.1
208.13361	3.2
224.12898	3.7
225.13208	0.6
240.12346	0.5
252.12440	0.8
293.14227	0.5
296.11362	100.0
297.11713	10.2
356.13513	7.7
357.09000	0.6
357.13470	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0984
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
50.04062	0.3
59.01375	2.5
61.98820	0.7
62.89623	0.3
68.98286	0.3
70.82886	0.6
71.01389	1.6
83.01378	0.9
85.02966	0.8
98.54366	0.3
104.05051	0.9
106.06617	100.0
107.06342	0.3
107.06967	3.4
113.02468	1.8
114.32822	0.3
118.06631	3.0
120.08170	0.8
134.03700	0.3
135.04498	0.9
138.03183	0.6
146.06102	1.4
150.05592	81.9
151.05940	3.6
159.55484	0.3
164.07144	12.6
165.07498	0.6
167.03477	0.6
168.04347	0.3
179.10782	0.3
189.97214	0.3
192.06647	10.0
193.06984	0.7
194.04556	14.9
195.04871	0.5
197.11771	0.4
219.31958	0.3
227.07286	0.4
236.05592	1.4
241.10681	0.8
256.85782	0.3
278.06503	0.4
296.07803	1.8
315.18167	0.6
356.09818	8.0
356.13986	0.6
357.09775	0.8
357.13589	0.6
372.44281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
60.99301	11.9
61.98819	4.8
63.90349	1.6
69.70221	7.0
70.02042	1.7
71.01378	2.7
72.99314	2.0
75.00869	17.3
78.95918	1.9
83.01371	11.2
88.04043	2.0
88.98802	80.6
89.02439	20.0
93.03458	2.1
96.95992	5.7
96.96907	1.9
98.19904	2.7
99.92583	1.8
100.93334	2.2
105.01929	3.5
105.03436	3.2
115.92091	10.1
121.02952	2.3
123.04433	2.1
125.02455	2.4
135.03000	36.3
135.03995	3.4
136.03307	4.9
136.04781	1.3
138.03140	2.6
140.30843	1.8
149.02393	5.0
151.00357	2.8
153.01900	7.6
165.01926	25.9
166.02298	2.4
167.03490	7.6
177.01917	2.4
183.02846	3.0
189.85184	1.8
193.01369	12.0
194.02193	3.3
195.02907	4.0
195.06650	1.8
209.00966	9.2
210.01271	5.6
211.02454	4.5
214.12697	2.8
221.00906	100.0
223.02310	2.3
232.96893	1.5
235.02390	1.9
237.00279	3.4
238.00731	1.6
239.01869	6.1
267.01468	3.6
356.03290	1.8
357.04224	2.1
357.08163	5.3
357.13400	3.3
372.61960	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
57.66665	1.2
61.98816	2.9
65.30183	1.2
68.50312	1.5
69.79466	5.2
83.88696	1.3
85.02926	1.7
88.46978	1.2
95.90577	1.1
109.02926	1.5
122.03780	6.7
127.07569	1.8
135.04524	20.7
136.01627	1.2
147.08180	2.3
149.06116	1.7
149.09714	7.5
151.07616	2.9
154.02673	1.6
161.09706	9.0
163.07648	3.9
163.11275	47.5
164.08415	17.5
164.11574	1.5
165.09206	7.3
177.09200	72.4
178.09966	19.3
179.10762	72.0
180.11072	3.6
187.11266	1.8
191.10788	12.9
193.08717	7.9
208.16983	1.2
280.14670	2.9
298.15738	46.6
299.15961	5.8
307.17102	1.7
309.22342	2.0
322.19479	1.8
337.21686	53.4
338.22141	7.8
338.25690	1.4
340.20398	100.0
341.20758	14.6
355.22781	95.2
356.23141	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	355.0823
Annotation	(S)-Sulindac
Peak:m/z	Relative Intensity
59.01368	2.1
61.98809	2.4
64.46963	1.7
71.52056	1.8
71.52515	2.3
85.02941	2.7
119.05013	20.5
121.02954	100.0
122.03318	4.0
136.07672	2.4
136.78069	1.6
162.03273	2.9
163.04010	12.3
181.06544	3.2
225.05583	3.0
311.09222	94.9
312.09488	9.6
355.08231	64.6
355.12363	3.6
355.24890	3.7
356.08429	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	355.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.8
61.98828	6.6
62.34220	1.5
65.36137	1.5
69.70918	8.9
71.01379	4.3
72.99316	2.8
73.02966	1.4
74.02471	4.7
75.00873	20.0
78.53484	1.6
78.95901	16.6
82.02950	1.8
83.01383	7.1
84.04569	3.5
85.02946	4.9
88.98815	14.0
89.02454	6.4
89.29527	1.5
93.03455	3.2
96.96011	100.0
96.96939	25.8
99.00872	1.8
99.10811	1.6
101.07172	3.6
101.11309	1.5
105.01773	1.5
107.01366	1.7
109.02955	4.0
111.00876	4.3
113.02486	1.9
127.05103	5.4
128.03537	32.1
129.03903	1.8
133.02966	1.9
134.03729	12.2
135.02988	53.1
137.02451	3.7
140.19623	1.6
149.06104	4.6
153.01904	3.1
165.01926	9.7
169.13469	4.6
170.46794	1.6
178.02647	2.3
178.99805	3.9
179.03471	3.1
181.01399	3.0
187.70067	1.5
191.25317	1.6
193.01410	4.2
193.05040	13.7
195.02943	3.4
195.11430	8.5
197.19159	1.6
209.00914	22.9
209.02852	2.7
210.01418	2.2
213.12440	61.3
214.03746	2.0
214.12738	4.7
220.02556	1.9
221.01015	1.6
223.02534	8.4
237.00395	10.2
239.10364	2.8
257.11395	31.8
258.11743	2.4
265.03366	1.8
269.75354	1.5
324.87717	2.0
355.02985	15.9
355.06638	2.2
355.10544	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.8
63.09927	0.9
66.54781	0.9
69.88744	1.0
71.01371	4.3
89.02417	3.4
113.02384	1.4
121.02963	1.6
132.02179	10.4
133.02946	1.3
134.03737	58.0
135.04062	3.3
137.02438	8.0
139.04019	1.9
149.02481	1.0
149.06064	16.0
155.02953	0.9
159.60776	0.9
160.01657	49.9
161.02003	3.3
175.03992	79.1
176.04320	5.7
176.79292	0.9
178.02715	26.5
179.03001	1.1
191.06990	1.4
193.05046	100.0
194.05373	6.3
212.45039	1.0
217.05020	4.8
235.06155	2.1
270.60263	1.0
275.80127	1.0
295.08423	1.7
310.83426	1.0
349.60327	1.0
355.10309	4.5
362.98685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85368	0.5
59.01386	7.9
62.27115	0.5
62.49802	0.5
70.26157	1.0
70.26513	1.2
71.01385	3.7
85.02949	1.2
89.02440	2.6
101.02448	1.5
113.02450	1.8
119.03442	1.1
128.41118	0.5
129.45091	0.5
132.02170	13.6
134.03737	8.2
147.04498	0.6
148.05327	0.7
149.06070	1.6
160.01654	63.0
161.02031	3.2
175.03993	100.0
176.04349	6.6
191.07130	2.5
193.05046	15.4
194.05403	0.7
217.05069	6.5
218.05328	0.5
222.06787	0.5
235.06070	2.7
295.08325	1.5
307.55280	0.6
355.10300	6.0
356.10315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51678	0.4
57.03470	0.5
59.01377	8.7
68.99780	0.4
69.20287	0.4
69.20628	3.4
71.01380	4.6
85.02972	1.0
89.02459	3.4
91.21972	0.4
95.01414	0.6
98.20689	0.8
101.02464	2.2
113.02461	1.7
119.03497	1.2
125.02446	5.9
132.02162	13.5
133.02652	0.4
134.03740	10.1
135.04178	0.6
135.44501	0.4
137.02417	0.6
147.04521	0.9
148.05324	0.5
149.06071	2.2
150.56377	0.4
160.01653	65.8
161.01990	3.0
164.01192	0.6
165.01961	0.7
172.61700	0.3
174.03195	0.7
175.03992	100.0
176.04353	6.4
178.02667	0.4
185.11314	0.4
191.03580	0.6
191.07187	3.1
193.01401	3.2
193.05040	19.8
193.08778	0.6
194.05423	0.9
197.04585	0.5
199.21584	0.4
202.02692	1.6
207.06700	0.9
217.05040	8.1
217.30055	0.4
218.05351	0.7
235.06087	4.0
259.17981	0.4
265.07028	0.7
269.89951	0.4
287.05637	0.7
295.08298	2.3
319.04395	0.5
319.08194	0.7
355.10309	6.8
356.10608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
58.12661	0.3
59.46547	0.3
69.96838	0.4
71.52155	0.4
79.95738	2.0
96.96007	15.7
99.32642	0.3
100.64468	0.3
107.05028	0.3
122.97572	0.8
163.11279	88.4
164.11606	5.8
177.09200	67.5
178.09538	4.6
219.46982	0.3
222.09000	0.3
238.47665	0.3
246.82625	0.3
353.21112	100.0
354.21494	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	355.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74613	5.9
75.00851	6.4
76.83222	1.2
82.03484	1.4
83.01385	11.9
89.22991	1.1
93.03468	3.1
97.02939	1.5
105.03426	2.3
107.01373	8.7
109.02977	2.1
111.00898	1.8
121.02917	3.0
123.04527	2.5
125.02415	5.5
133.02965	1.7
134.03764	1.3
135.00861	1.9
135.02983	23.5
137.02426	2.7
139.03993	1.8
147.04526	2.8
149.02400	3.8
151.00386	2.8
151.03986	4.2
153.01950	9.7
165.01906	5.5
166.02670	1.8
167.03476	5.2
169.22670	1.2
174.01651	1.6
175.03960	1.8
177.01920	10.7
178.99902	6.4
179.03474	3.0
180.00563	1.9
181.01390	5.8
190.99869	1.7
193.01445	4.4
193.05032	3.1
195.02975	31.7
196.03333	1.3
205.01300	6.8
206.01933	1.5
209.00951	9.0
219.02942	4.8
221.00917	4.6
223.02452	100.0
224.02698	6.0
233.00935	1.7
237.00381	4.3
237.04056	4.8
247.02446	3.2
251.01981	1.8
255.05045	5.2
265.03537	4.5
283.04535	11.1
337.01617	1.5
355.02985	18.5
355.10123	2.0
356.03143	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	355.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08316	0.7
58.40652	0.8
59.01396	1.4
61.98840	1.0
67.01890	1.2
70.09156	3.1
71.01379	1.0
75.00867	9.1
79.01930	0.9
81.03439	1.4
83.01383	14.0
83.99877	0.9
86.70456	0.8
89.02419	1.7
91.01887	1.2
93.03468	3.2
95.01368	1.9
97.02962	1.1
105.03440	1.1
107.01405	7.3
107.05050	1.0
109.02956	2.4
111.00881	2.3
116.66101	0.7
121.02950	2.4
123.00855	1.1
123.04553	1.6
124.01677	2.2
125.02455	6.0
131.05005	1.0
133.02916	1.0
134.03748	0.9
135.00883	1.5
135.02994	22.0
137.02440	3.0
139.00406	0.9
141.01860	1.4
143.12691	0.9
147.04501	1.6
149.02428	3.1
151.00377	3.1
151.04015	2.4
152.01128	1.5
153.01921	9.5
163.00352	0.8
165.01901	6.3
166.02655	2.3
167.03499	7.4
175.04007	0.9
177.01936	8.8
178.02814	0.8
178.99872	6.7
179.03493	3.8
180.00583	1.8
181.01450	6.5
191.03539	1.0
193.01387	5.3
193.05048	2.6
194.02167	1.2
195.02974	35.6
196.03236	1.5
205.01407	6.7
206.02032	1.1
206.99455	0.9
207.03018	1.3
209.00922	9.2
211.02518	0.9
219.02902	5.2
221.00951	4.1
221.04660	1.3
223.02461	100.0
224.02835	6.6
233.00888	1.9
235.02449	1.5
237.00417	4.1
237.04031	4.5
246.98920	1.0
247.02483	2.4
249.04135	1.0
251.01952	1.0
255.05070	4.7
265.03500	5.0
283.04559	11.2
284.04877	1.0
355.03033	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.139
Annotation	Vismione B
Peak:m/z	Relative Intensity
59.01366	7.4
61.98830	2.1
67.46310	2.1
70.99989	4.7
87.48529	2.0
89.75710	1.9
183.01187	4.4
191.05592	3.0
254.05862	5.6
255.06563	3.3
279.06595	5.0
281.04599	3.1
283.06104	4.7
291.06589	72.6
292.07062	14.3
305.08179	3.6
306.09048	2.9
309.11203	11.8
335.12857	100.0
336.13205	14.0
353.13919	83.9
353.17795	6.4
354.14224	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	353.1391
Annotation	Vismione B
Peak:m/z	Relative Intensity
56.61013	1.6
59.01378	6.2
61.98823	2.1
62.70220	1.4
62.82825	1.3
63.59348	1.3
64.09248	1.6
70.24568	1.4
71.51067	2.0
109.60530	1.4
112.38052	1.4
113.86358	1.3
132.47389	1.5
191.05554	2.6
209.06023	2.4
225.05495	2.8
237.05550	6.8
243.06729	3.4
254.05856	4.2
255.06644	16.5
279.06500	2.3
281.04541	38.9
282.04840	2.9
283.06100	83.2
284.06458	7.9
291.06595	33.2
292.07111	5.0
305.08249	2.3
309.11401	2.2
335.12857	47.7
336.13168	4.3
353.13928	100.0
353.17523	3.6
354.14233	12.1
360.63693	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	353.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65276	0.8
58.81966	0.7
69.10955	0.7
69.57729	4.0
79.95729	11.2
80.96524	1.0
94.98095	1.0
95.95190	1.3
96.96006	78.0
122.71290	0.8
122.97588	4.7
147.49899	0.8
182.99738	0.8
183.01237	4.0
353.19986	100.0
354.20239	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	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	0.7
55.32906	0.5
57.03438	0.7
58.00576	1.1
59.01377	27.1
61.98820	1.8
69.28886	4.3
71.01010	1.0
71.01381	15.6
72.99301	3.4
73.02942	1.1
83.01395	1.6
85.02951	2.9
87.00883	1.5
89.02442	13.6
94.37292	0.5
95.01381	1.2
97.30585	0.5
98.20640	1.2
100.18272	0.6
101.02429	10.6
113.02448	6.4
119.03485	4.5
135.04480	1.7
139.11351	0.6
141.12848	24.4
142.13226	1.5
155.14426	0.7
161.02470	1.4
169.12309	5.6
171.13852	1.0
179.03503	0.9
183.13878	1.9
185.11844	0.6
185.15428	0.6
187.13380	50.0
188.13669	3.1
217.10651	0.8
229.14415	1.5
233.38719	0.7
236.76718	0.6
305.12241	2.0
331.41910	0.6
349.18637	100.0
350.18970	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10591	0.4
61.98827	100.0
69.37024	1.0
69.37437	2.5
69.84040	0.5
94.36122	0.4
98.20621	0.6
100.36683	0.5
120.00914	0.5
210.86559	0.5
276.17484	0.5
277.41553	0.5
278.17319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09958	0.4
57.03430	0.5
59.01365	1.1
61.98826	100.0
65.00341	0.4
71.01405	0.5
71.51695	0.8
75.00832	0.5
81.23064	0.5
83.01392	0.7
85.02969	0.9
87.00862	0.5
93.03497	0.8
109.02999	0.9
125.02482	0.6
135.03072	0.5
135.04474	0.5
137.02470	0.5
151.00374	1.3
153.01956	2.0
161.02490	1.1
167.03464	0.6
171.06676	0.8
175.03966	0.5
177.05692	0.5
178.99896	1.1
179.03503	0.5
181.01503	1.2
191.05588	4.5
191.07161	0.5
195.02914	0.6
203.03445	0.5
245.04811	0.7
273.04034	0.9
317.02881	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.30884	0.1
61.98827	100.0
62.98547	0.2
70.68113	0.4
72.99915	0.2
107.31873	0.1
146.86475	0.2
147.96066	0.2
154.40532	0.2
162.98477	2.0
164.06512	0.2
164.96400	0.3
203.99960	0.5
205.00146	0.4
205.99756	0.7
206.97430	79.6
207.97527	5.6
263.06070	0.2
333.89774	0.2
348.98627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1078
Annotation	4'-O-Methylderrone
Peak:m/z	Relative Intensity
56.28850	0.4
59.01378	0.7
61.38432	0.4
69.36414	2.7
78.91879	0.8
80.04436	0.4
80.91673	1.8
100.83062	0.4
103.47215	0.5
116.97251	0.4
163.22311	0.4
170.17656	0.5
182.30977	0.4
182.61940	0.4
196.00476	0.5
249.05521	1.0
262.06372	0.8
274.15668	0.5
277.05054	3.2
278.05795	2.2
279.06210	0.4
289.05191	0.4
303.06445	0.7
305.04538	15.0
306.05310	100.0
307.05652	10.8
320.06842	0.8
348.91736	3.6
349.10773	82.6
350.11093	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	349.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
58.99603	13.6
59.01379	2.3
59.41448	0.3
71.05015	0.4
74.99105	1.7
78.30870	0.3
85.99384	0.3
98.19845	0.8
102.98594	100.0
103.98973	1.8
120.99652	5.4
128.03551	0.3
129.09210	1.4
139.72679	0.3
141.09210	2.2
160.27925	0.3
163.00693	8.0
164.01117	0.3
309.13596	0.3
309.65845	0.4
349.14581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64545	1.5
54.72567	1.7
55.71476	1.4
57.36178	1.5
58.14118	1.4
60.99306	15.4
61.98830	3.0
69.03447	2.0
69.47307	10.9
74.02424	2.0
75.00912	1.7
77.78432	1.3
88.98803	100.0
94.64058	1.5
98.20674	2.7
103.82785	1.4
106.74652	1.5
110.00085	3.0
111.58849	1.4
120.88557	1.8
125.02415	4.2
127.03912	2.6
128.03539	6.0
135.04449	2.1
139.92195	1.7
140.01086	2.6
165.99077	9.9
184.00121	18.0
189.05531	3.0
213.12428	14.0
217.93095	2.3
257.11395	4.5
303.07013	2.0
329.05054	2.6
347.05972	21.0
348.06683	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	348.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98160	0.5
55.11845	0.5
55.80268	0.5
58.27222	0.5
59.01376	100.0
60.01721	1.3
61.98808	0.9
63.54599	0.6
66.92316	0.6
70.66747	1.7
71.42558	0.5
73.06085	0.7
95.82364	0.5
104.80559	0.5
105.12708	0.5
107.59727	0.6
109.14326	0.6
135.86166	0.6
156.71136	0.6
192.06697	1.0
269.04495	4.2
348.14697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0768
Annotation	RES 1214-1
Peak:m/z	Relative Intensity
55.01862	0.8
57.03442	1.2
59.01384	4.5
65.00358	0.5
69.03461	0.6
69.48944	3.3
71.01390	3.3
72.88747	0.7
72.99289	0.5
73.02965	1.1
78.41129	0.5
79.05556	0.9
81.03460	4.7
83.01379	8.0
85.02969	1.4
89.02435	1.2
91.22504	0.6
95.05013	1.5
95.05956	0.5
95.79978	0.5
97.02956	1.5
99.04510	0.8
101.02434	3.5
107.05056	1.1
109.02945	6.2
113.02443	1.2
121.02915	0.5
123.04528	27.9
124.04842	0.8
125.02441	5.1
125.44448	0.5
134.03677	0.6
135.04526	34.4
136.04878	1.6
137.02419	0.9
137.06062	1.1
139.04016	0.7
149.02402	1.0
149.06068	2.6
151.00342	0.8
151.03983	0.8
159.04510	1.2
161.02489	1.5
167.03490	100.0
168.03838	5.0
168.53569	0.6
175.07622	2.4
177.05531	1.8
179.03513	3.7
181.05072	1.5
182.02179	1.5
183.02850	1.8
184.02675	1.5
185.03423	1.0
185.11905	1.3
193.05042	15.6
201.05577	0.9
217.08711	1.3
219.06639	1.4
255.38065	0.6
258.69534	0.5
261.07614	1.6
303.08728	1.5
347.07852	13.3
347.17090	25.6
348.08054	2.1
348.17444	2.3
350.65814	0.5
356.97363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.092
Annotation	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
53.64611	0.5
57.37492	0.5
59.01365	1.0
61.98812	0.7
71.52512	0.8
73.69891	0.7
146.16458	0.6
179.93761	0.7
182.14424	0.7
279.02975	1.7
290.05832	26.0
291.06104	2.8
315.06616	1.4
322.04788	16.0
323.05142	1.8
331.06036	1.2
347.09210	100.0
348.09552	12.5
348.22183	1.5
352.40909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29974	0.2
56.98919	0.2
59.01377	4.8
59.40429	0.2
60.01707	0.4
61.98828	100.0
62.98543	0.4
69.76926	0.8
83.54296	0.2
86.36700	0.2
98.20540	0.4
126.20140	0.2
195.37657	0.2
201.02574	1.0
202.02692	2.6
203.02238	2.6
203.99979	46.9
205.00122	4.0
346.01068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0405
Annotation	Pinnatazone
Peak:m/z	Relative Intensity
51.64511	0.8
53.67088	0.8
53.70402	0.8
57.60510	0.8
59.01365	1.0
67.38392	0.8
69.92068	3.1
71.01361	1.3
71.46040	0.8
83.01386	12.0
85.02938	1.0
119.04975	0.9
131.01344	1.3
133.02959	1.4
135.00880	1.5
145.02907	2.3
147.04535	3.2
149.02457	1.5
163.03952	2.3
166.76718	1.1
173.02376	1.0
175.03975	3.3
176.01067	0.8
177.01917	2.8
183.02713	1.1
184.02704	1.2
185.03513	1.3
189.01898	1.1
191.03517	8.6
201.01967	2.1
202.99835	1.3
207.02950	1.6
214.02496	1.0
215.03447	1.9
217.01558	0.9
217.05206	1.0
219.02963	37.4
220.03322	2.6
226.06682	0.9
229.05130	2.1
231.02992	3.7
231.06538	1.1
232.03845	3.0
233.04523	4.2
235.02437	6.2
240.35019	0.9
242.99068	1.2
243.03085	1.9
245.00829	4.8
257.04501	2.2
258.01599	2.6
259.02426	5.2
259.06018	1.1
261.04065	2.0
263.01941	2.1
275.05594	5.9
285.04025	7.0
286.01187	2.1
286.04254	0.9
287.01920	5.8
288.02728	1.2
301.03479	4.3
303.05087	2.6
329.03040	10.2
347.04065	100.0
347.17181	3.3
348.04376	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	345.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.1
65.00296	0.7
69.03438	1.3
70.32778	1.4
71.01363	1.0
77.03981	0.9
78.95919	0.7
81.03458	0.7
81.48074	0.5
83.01383	2.1
83.42566	0.6
83.80492	0.5
85.02894	0.7
88.04018	0.7
93.03445	0.9
95.01380	1.0
95.05010	0.6
97.02949	1.6
99.00872	1.0
107.00699	0.6
109.02939	2.1
110.00085	1.3
111.00887	1.7
113.02438	0.7
113.70058	0.6
120.09777	0.5
121.02950	2.1
123.04543	1.2
125.02396	1.4
136.38588	0.6
137.02449	6.3
139.00366	2.5
139.03993	1.2
141.01952	4.4
148.01575	0.7
151.03995	0.7
153.01929	2.7
160.99394	0.7
164.01192	1.0
165.01927	10.0
165.99081	3.2
166.99794	1.3
177.01913	3.0
181.01445	6.5
181.05089	1.0
182.02194	92.8
183.02965	100.0
184.03282	3.4
191.05283	0.7
193.05130	0.6
195.02963	4.2
204.00639	0.7
207.05087	0.7
256.55582	0.6
283.06213	1.2
327.04764	2.8
345.08237	64.8
346.08679	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	345.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95876	0.2
53.75700	0.2
57.03431	0.2
59.01378	0.8
69.03453	0.7
69.24860	1.4
69.25281	0.8
71.01373	0.7
77.03951	0.9
81.72176	0.2
83.01396	2.1
83.05006	0.2
85.02938	0.6
93.03445	0.4
95.01399	0.5
96.94723	0.3
97.02951	1.1
99.00880	1.3
104.18904	0.2
108.02139	0.3
109.02938	0.4
110.00074	0.9
111.00881	2.2
111.04510	0.9
121.02934	1.7
123.00823	0.4
123.04525	0.4
125.02446	0.4
136.98885	0.4
137.02446	6.1
139.00351	2.7
139.03998	0.9
140.01125	1.0
141.01935	3.3
151.04005	0.9
153.01920	4.0
154.02605	0.4
155.03503	0.6
164.01126	0.3
165.01917	8.3
165.81367	0.2
165.99080	2.6
166.02505	0.3
166.99908	1.2
167.03461	0.4
177.01872	0.4
181.01421	5.8
181.05002	0.3
182.02199	100.0
183.02963	90.8
183.06270	0.4
184.03302	4.1
193.05042	0.5
194.02200	0.4
195.02988	2.7
207.03067	0.4
207.04984	0.4
211.11226	0.3
219.03035	0.3
225.04028	0.6
246.65201	0.3
261.06198	0.3
327.07159	0.4
345.08228	74.1
346.08560	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	345.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
59.01378	0.9
61.35140	0.3
70.25752	1.0
71.01378	0.7
71.05017	7.9
78.95925	0.3
83.01385	2.2
95.05015	2.3
97.02943	12.4
98.19953	0.3
98.34256	0.2
99.03236	0.2
99.41371	0.2
101.02441	0.4
111.02016	0.6
113.02399	0.5
123.04522	0.6
135.04474	0.3
137.02402	0.4
139.04005	100.0
140.04312	3.5
153.01935	0.6
153.05586	0.5
161.04562	0.4
163.03995	3.2
181.05075	0.7
182.02228	0.3
183.02980	2.5
193.05020	0.4
199.08858	0.3
207.02977	0.7
209.00932	0.4
213.05142	0.8
327.03613	0.9
345.04724	0.4
345.08234	9.7
346.08496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0822
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01844	0.2
55.54073	0.1
57.03445	0.2
59.01373	0.7
68.99808	0.3
69.03451	1.1
71.01368	0.8
71.29218	0.2
73.02961	0.1
75.00874	0.3
77.03962	1.0
79.01897	0.2
81.03454	0.3
83.01373	2.1
83.01836	0.2
83.05013	0.3
85.02946	0.7
93.03457	0.4
93.64725	0.2
95.01392	0.4
95.05023	0.3
97.02943	1.5
99.00882	1.2
99.04517	0.2
101.02430	0.3
101.21468	0.2
108.02185	0.3
109.02942	0.8
110.00082	1.4
111.00877	2.4
111.04504	0.5
112.07946	0.1
113.02443	0.3
115.03972	0.2
119.32518	0.2
121.02939	1.8
122.00089	0.2
123.00852	0.3
123.04552	0.2
124.01662	0.2
125.02434	0.5
127.04044	0.4
129.01985	0.2
137.02437	5.6
137.99564	0.2
138.02727	0.2
139.00378	2.2
139.03984	1.3
140.01178	0.9
141.01942	3.4
151.03952	0.9
152.04381	0.2
153.01921	3.5
154.02443	0.2
155.03531	0.4
163.03935	0.2
164.01154	0.5
165.01918	7.3
165.99057	2.8
166.02429	0.5
166.99835	1.4
167.03426	0.5
168.00555	0.2
177.01941	0.5
179.03494	0.3
181.01414	6.3
181.04976	0.3
182.02194	100.0
183.02951	87.9
184.03300	4.0
186.01569	0.3
193.05066	0.4
194.02164	0.6
195.02950	2.3
207.02979	0.4
207.05118	0.7
219.02869	0.2
225.04056	0.6
236.02548	0.2
255.05423	0.2
261.06000	0.2
293.97684	0.2
303.07205	0.3
327.07236	0.5
345.08215	79.2
346.08563	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	345.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36713	0.4
55.01876	1.1
55.15158	0.4
59.01374	1.9
61.98826	5.3
70.57249	0.5
70.57569	0.6
71.01389	1.3
71.05021	7.2
78.95898	4.2
80.51699	0.4
83.01390	1.7
87.95288	0.4
88.98801	0.5
89.02457	1.0
93.03479	0.4
95.05029	5.1
95.34515	0.4
96.96964	0.8
97.02946	19.4
98.03302	0.5
101.02442	0.9
111.99455	0.4
113.02451	0.5
121.02969	1.1
134.04688	0.9
135.04512	0.5
137.02446	2.0
138.30260	0.4
139.04013	100.0
139.29192	0.4
140.04350	4.8
153.01978	0.5
153.05568	0.8
163.04047	1.6
163.08403	0.4
165.01923	12.6
166.02193	0.5
168.94565	0.4
181.01454	0.5
183.02989	5.9
193.05154	0.4
209.00925	0.7
211.00150	2.2
309.11963	2.0
318.02405	0.4
324.90237	0.5
327.03558	1.0
345.08212	32.1
346.04956	0.5
346.08707	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	345.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
65.35280	0.3
66.18245	0.4
69.03455	1.4
69.94482	1.7
73.56531	0.3
77.03952	1.1
83.01395	0.7
93.03469	0.4
95.01402	0.4
97.02953	0.9
98.19959	0.4
99.00878	1.4
109.02944	0.5
111.00875	0.6
121.02967	1.8
123.00874	0.7
137.02448	5.6
139.00374	1.2
139.04018	0.7
140.01158	0.5
141.01920	3.9
153.01938	1.5
165.01917	8.3
165.99193	0.4
166.49013	0.3
166.99828	1.1
168.41194	0.4
181.01399	2.0
182.02202	15.0
183.02969	100.0
184.03336	4.6
202.65427	0.4
207.02969	0.5
225.04140	0.4
269.94293	0.3
345.08237	33.0
346.08630	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0823
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.79167	0.1
59.01380	0.8
65.00326	0.3
67.01894	0.3
68.99813	0.4
69.03454	1.1
69.31072	0.9
69.31480	0.3
71.01374	0.8
75.00872	0.3
77.03964	1.1
81.03453	0.6
83.01375	2.8
83.05017	0.4
85.02955	0.6
87.00868	0.1
93.03439	0.5
95.01407	0.7
95.05019	0.3
96.10730	0.1
97.02943	1.3
99.00873	1.5
99.04562	0.2
108.02167	0.4
109.02959	0.6
110.00085	1.6
111.00871	3.0
111.04515	0.4
113.02434	0.4
120.90260	0.2
121.02947	2.0
123.00906	0.6
123.04506	0.5
124.98759	0.2
125.02401	0.4
127.04002	0.2
129.01981	0.2
133.02985	0.2
136.81812	0.2
136.98813	0.4
137.02443	7.7
137.99548	0.2
139.00375	3.4
139.04005	1.3
140.01140	1.0
141.01936	3.8
151.03978	0.6
153.01932	4.8
154.02704	0.7
155.03490	0.6
164.01108	0.4
165.01926	8.2
165.99068	3.4
166.02550	0.4
166.99872	1.9
167.03514	0.5
177.01941	0.5
181.01433	7.8
181.03084	0.2
182.02205	100.0
183.02968	91.3
183.06296	0.5
184.03288	1.8
186.01678	0.4
193.05118	0.3
194.02194	0.7
195.02989	1.9
207.02989	0.6
207.05035	0.3
225.04079	0.6
250.93413	0.2
261.06158	0.2
303.07269	0.2
327.07101	0.7
345.08228	97.3
346.08542	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	345.0821
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.30846	0.2
59.01386	0.9
62.50418	0.2
68.99828	0.3
69.03464	0.9
69.49267	1.7
71.01371	0.5
74.59673	0.2
77.03970	0.8
79.01905	0.3
81.03463	0.5
83.01384	2.2
85.02945	0.7
85.63750	0.2
90.04256	0.2
93.03474	0.3
95.01389	0.4
97.02966	1.2
99.00864	1.2
101.02486	0.3
107.05066	0.3
108.02164	0.3
109.02965	0.6
110.00084	1.3
111.00872	1.9
111.04527	0.5
113.41222	0.2
121.02936	1.6
123.00870	0.7
123.04489	0.5
127.04053	0.2
129.02039	0.2
134.63391	0.2
137.02444	5.3
139.00352	1.9
139.04004	1.2
140.01143	0.7
141.01939	3.0
151.04004	0.5
153.01926	3.6
154.02742	0.3
155.03502	0.5
164.01215	0.3
165.01927	7.6
165.99089	2.8
166.02606	0.4
166.99820	1.6
167.03456	0.4
177.01920	0.4
181.01411	5.9
181.02902	0.4
182.02202	100.0
183.02963	85.5
184.03302	3.7
193.05043	0.3
194.02156	0.5
195.02957	2.9
207.02986	0.6
207.04990	0.5
225.04050	0.8
244.58792	0.3
261.06122	0.5
293.71234	0.2
327.07074	0.5
345.08234	71.9
346.08548	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	345.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22405	0.2
57.03454	0.2
59.01371	0.7
68.99786	0.2
69.03454	0.9
69.57906	1.0
69.64153	0.2
71.01373	0.9
72.47132	0.2
75.00874	0.3
77.03954	0.9
81.03456	0.3
83.01377	2.0
83.83706	0.2
85.02943	0.6
88.67525	0.2
89.02462	0.3
93.03458	0.6
95.01403	0.7
95.04999	0.2
97.02943	1.1
98.19954	0.2
99.00871	1.4
99.04556	0.2
101.02479	0.3
109.02962	0.4
110.00066	1.3
111.00867	2.7
111.04513	0.4
113.02441	0.4
121.02942	1.5
123.00877	0.5
123.04497	0.4
125.02458	0.5
127.03977	0.3
129.01985	0.3
135.12410	0.1
136.01685	0.3
136.98839	0.3
137.02438	5.2
138.02853	0.2
139.00368	3.0
139.03989	1.1
140.01167	1.0
141.01929	3.2
151.03967	1.0
153.01932	4.0
154.02670	0.6
155.03471	0.7
164.01123	0.2
165.01918	7.4
165.99068	2.9
166.02524	0.3
166.99857	1.5
167.03520	0.8
177.01878	0.6
179.03455	0.2
181.01418	6.2
181.04956	0.2
182.02200	100.0
183.02957	88.5
184.03304	3.7
186.01625	0.3
193.05035	0.4
194.02121	0.7
195.02992	2.6
207.02948	0.5
207.05093	0.5
225.04012	0.5
237.04027	0.3
254.17293	0.2
256.89893	0.2
261.06165	0.2
262.38992	0.2
291.78336	0.2
327.07217	0.5
345.08231	80.2
346.04294	0.4
346.08566	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	344.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82123	0.8
59.01376	14.1
61.98838	2.4
63.45753	0.9
65.25437	0.9
66.90635	0.9
68.50868	0.8
71.01376	11.5
71.05018	1.3
71.50635	1.3
72.00909	10.4
72.99311	1.7
78.95891	1.1
83.01375	5.7
85.02953	1.9
87.00865	1.5
89.02440	13.7
90.86961	0.9
91.05522	1.2
93.03462	2.0
95.01419	1.5
95.05013	1.1
97.02953	5.1
99.00870	1.3
101.02436	4.7
103.05582	1.4
105.01913	1.6
107.01405	1.6
109.01670	0.8
109.02947	3.1
111.00871	2.6
113.02431	4.7
115.00340	0.9
119.03490	3.1
119.05038	2.9
120.04598	1.1
120.05383	3.4
121.02960	23.0
122.02464	2.5
122.03268	12.9
123.04512	1.7
124.01656	2.8
125.02446	2.6
126.01896	1.0
126.02808	1.0
135.04539	9.6
137.02454	5.0
138.05594	1.5
139.00400	1.6
139.02916	1.9
139.04004	38.3
141.01947	2.9
143.03444	1.1
145.02951	1.7
146.03287	2.3
146.04466	1.0
147.03360	1.9
147.04524	31.0
148.04852	2.3
149.02423	1.0
150.04201	1.1
151.00340	1.0
151.03951	1.1
153.01930	11.9
154.02226	1.1
161.02426	1.5
161.04657	1.3
163.03964	2.1
164.04317	3.2
164.07159	100.0
165.01941	6.5
165.07515	5.3
167.03477	1.5
177.01848	0.8
178.99878	1.4
179.03502	8.5
179.05637	2.2
181.01445	5.6
181.05054	3.7
182.02213	5.8
182.05438	6.8
183.02982	16.6
193.01385	3.4
195.02988	1.7
199.02505	1.1
209.00887	5.7
210.01595	2.8
211.02481	5.8
214.99706	1.0
221.00888	6.3
223.02477	5.7
224.02846	1.1
236.06522	1.1
239.01981	3.1
266.07492	1.2
267.01437	2.5
283.04517	0.9
293.84103	0.9
299.04117	1.5
306.07132	2.0
327.03494	16.2
344.03271	1.5
344.09802	1.8
345.04553	8.9
345.08252	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1547
Annotation	4-[5,10-Dihydroxygeranyloxy]-5-methylcoumarin
Peak:m/z	Relative Intensity
54.81794	0.7
59.01364	2.5
60.62080	0.6
67.12975	0.7
69.93398	2.7
89.78974	0.7
90.00863	0.6
124.93179	1.0
138.71083	0.6
163.39090	0.7
211.09328	0.7
215.03468	1.3
230.05789	5.5
243.06514	3.5
244.07314	1.7
245.08167	9.8
255.06599	38.9
256.06943	3.5
257.08176	6.7
258.08899	3.8
269.08206	0.9
271.09753	5.6
283.09805	0.8
284.10474	6.2
285.07916	1.2
285.11234	2.9
299.12866	34.3
300.13397	6.9
343.15457	100.0
344.15793	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	344.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98826	3.1
69.44921	8.9
82.85352	1.6
83.01376	3.8
99.00862	1.9
109.02945	1.5
111.00877	2.1
121.03019	1.5
130.38002	1.3
137.02454	5.6
139.00447	2.8
139.03932	1.4
141.01933	4.9
144.80887	1.4
153.01894	2.9
159.42316	1.6
165.01933	7.5
165.99028	1.3
166.02646	1.7
166.99820	1.7
181.01431	5.4
182.02196	78.8
183.02965	100.0
209.08165	11.6
237.07710	8.5
278.47498	1.4
281.10284	32.1
345.08224	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.6
61.98810	3.2
70.01772	2.2
70.25198	3.5
70.25546	7.0
71.01386	5.3
73.01762	2.7
89.02433	4.4
91.05529	63.1
92.05849	2.5
98.20603	3.0
98.95518	2.7
99.00894	5.0
109.02949	13.3
125.02432	3.0
133.01578	27.4
135.04518	5.0
137.02385	4.9
150.04213	53.0
161.02481	3.9
163.04002	100.0
164.04314	4.2
169.01476	3.6
181.01326	3.6
194.49596	2.2
209.00562	2.8
343.11639	3.3
344.03549	2.8
344.11584	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	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61572	0.2
59.01377	80.5
60.01714	0.9
61.98818	0.2
65.27573	0.2
71.02077	0.5
76.21087	0.2
113.04566	0.3
115.02541	0.4
121.43435	0.2
154.99654	0.2
157.03545	7.4
158.03685	0.7
159.01520	1.5
187.45137	0.3
201.02538	100.0
202.02716	8.6
213.62350	0.2
216.19316	0.2
343.03705	3.2
344.03751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94358	0.5
59.01373	1.7
59.73720	0.5
65.00320	4.0
67.01894	1.0
71.01388	1.4
71.51461	0.5
79.71989	0.5
81.03451	4.0
83.01385	7.5
85.02916	0.6
93.03461	2.0
95.01402	0.9
102.98596	0.6
107.01361	0.6
108.02149	3.6
109.02950	13.3
110.25219	0.5
111.00869	9.4
115.00357	1.7
116.07164	0.5
119.04998	1.1
121.02940	1.0
122.03751	1.9
123.04520	0.7
124.01662	3.0
125.02419	2.3
134.04684	0.7
135.00867	2.0
135.04460	2.9
136.98805	7.0
137.02431	4.3
139.00360	8.1
141.01912	1.0
149.02385	0.7
151.00406	0.8
152.01100	0.8
153.01923	69.3
154.02214	3.2
165.01903	0.9
166.02699	2.3
167.03477	3.7
175.04077	0.5
179.03484	1.5
180.03770	0.7
181.01416	100.0
181.08678	1.5
181.58109	0.6
182.01813	4.3
183.02948	4.3
194.02150	3.2
195.02972	14.1
215.46440	0.5
223.02432	4.4
226.06319	4.0
227.07137	5.1
255.10245	24.4
256.10571	3.2
260.06000	0.6
325.05698	1.3
343.06503	12.1
344.07352	4.6
344.11356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	3.3
59.01378	100.0
61.17474	1.1
69.68138	1.0
70.66830	3.2
71.01381	59.2
72.01712	2.0
72.99310	1.7
75.00877	3.0
83.01374	2.5
84.23405	1.3
85.02956	10.0
87.00885	3.9
89.02444	81.1
95.01389	3.4
96.95998	1.5
101.02438	31.7
113.02449	24.6
113.03195	0.7
119.03497	29.1
131.03520	4.9
133.02951	3.6
135.04532	1.5
143.03549	7.3
149.04558	8.2
150.15617	1.3
161.02470	15.8
161.04518	10.6
179.03368	1.4
179.05612	33.8
203.03455	1.3
231.43663	1.3
243.36343	1.2
341.10889	48.3
342.11234	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97488	0.4
55.01316	0.5
55.75961	0.5
59.01375	2.3
60.96374	0.4
69.03445	1.7
70.56699	1.5
71.01370	0.6
73.28069	0.5
81.03434	0.6
82.40718	0.4
83.05014	1.5
84.02168	4.4
95.05003	0.5
97.02950	1.7
97.06586	10.1
98.06956	0.7
99.04513	1.3
99.93848	0.5
101.02420	0.6
111.08160	0.8
119.08651	0.5
121.46946	0.4
125.09698	1.3
127.11250	1.1
135.12416	0.4
137.09708	1.4
165.12820	0.8
171.10252	15.7
172.10587	0.8
175.11220	0.8
179.05620	0.5
185.11914	0.7
193.12328	14.0
194.12602	0.8
211.13399	3.0
221.11726	0.6
225.14954	20.3
226.15312	1.1
243.15997	8.1
244.16600	0.6
253.14468	1.0
273.18649	0.6
291.19629	1.1
305.21155	0.6
323.22266	0.5
341.23285	100.0
342.23611	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
60.49618	0.5
60.85291	0.5
62.52614	0.5
65.64738	0.6
66.80288	0.6
69.03456	2.8
71.01384	1.0
71.25977	0.9
74.14931	0.6
81.03459	0.7
82.08157	0.6
83.05043	1.8
84.02175	1.2
89.02451	1.5
97.06580	11.5
125.09712	2.0
137.09695	1.0
154.73514	0.6
165.12849	1.3
171.10213	6.2
175.11247	1.1
193.12317	15.0
194.12712	1.0
211.13399	2.9
221.11845	1.3
225.14937	22.9
226.15266	1.1
243.16000	8.9
253.14488	1.3
273.18491	0.7
299.18521	1.7
323.22214	0.7
341.23291	100.0
342.23691	11.4
345.24271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31187	0.7
56.91699	0.7
57.03448	1.5
57.76172	0.7
58.00587	2.9
59.01378	100.0
60.01714	1.2
69.46509	4.6
69.46893	0.8
70.36021	0.6
71.01379	67.1
72.01704	1.3
72.99307	3.2
73.02962	1.7
73.12385	0.6
83.01369	1.7
84.01199	0.6
85.02942	9.3
87.00873	4.8
89.02441	91.1
90.02760	1.1
95.01379	4.2
99.00869	0.9
101.02438	36.7
106.18472	0.7
113.02446	27.7
114.02778	0.8
119.03497	35.1
120.03841	1.0
125.02398	1.1
131.03488	4.1
139.06479	0.7
143.03497	9.1
149.04575	4.1
161.04546	12.4
161.67543	0.6
163.51399	0.7
172.07715	0.7
179.05606	37.7
180.05937	1.5
314.48526	0.8
341.10858	52.1
342.11032	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	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.28308	0.7
59.01376	7.7
71.01374	4.2
85.02933	0.9
89.02439	3.3
99.66631	0.7
101.02439	1.6
107.05043	1.0
109.02930	2.1
113.02420	1.6
117.18494	0.8
119.03482	1.7
133.02946	21.1
134.03679	2.6
135.04521	90.3
136.04845	3.2
139.98625	0.7
147.04485	1.3
148.05255	1.3
149.06082	4.3
161.02431	76.0
162.02786	4.0
174.03181	1.1
175.04015	7.2
176.04324	0.9
177.05531	7.6
179.03488	100.0
180.03831	5.4
203.03487	45.1
204.03783	3.3
221.04495	5.7
341.08698	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	341.0875
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03441	0.9
58.00587	1.2
59.01379	42.4
70.65376	1.4
71.01382	28.7
72.99294	1.6
73.02931	1.3
85.02950	3.9
87.00878	1.2
89.02444	37.0
95.01418	1.6
101.02447	12.8
105.03423	0.9
113.02451	10.1
119.03498	13.3
123.75234	0.6
125.02405	1.1
131.03497	1.9
132.02116	0.9
133.02956	25.6
134.03336	1.6
135.04530	13.5
138.95572	0.6
143.03508	3.3
144.10938	0.7
149.04552	3.0
149.05991	1.5
161.02441	100.0
161.04601	5.3
162.02791	4.5
175.04065	1.0
177.05569	2.1
179.03496	22.2
179.05611	15.8
203.03508	11.1
221.04568	2.6
251.05681	1.4
281.06607	1.4
305.06723	1.6
341.08664	6.5
341.10837	17.3
342.11429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.55801	0.4
59.01379	5.4
69.71101	1.9
71.01382	2.0
85.02959	0.6
89.02445	2.5
101.02455	1.1
101.83445	0.3
102.96320	0.3
109.02892	0.3
113.02451	1.1
119.03515	0.6
132.02142	0.5
133.02960	16.5
134.03262	0.8
135.04526	6.4
149.06064	0.6
161.02437	100.0
162.02788	4.5
175.03934	0.4
177.05548	0.9
179.03496	16.8
180.03802	0.3
196.47713	0.3
203.03503	2.2
221.04587	1.7
251.05440	0.9
281.06818	1.7
341.08746	14.9
342.09094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13354	1.5
59.01384	14.1
62.30298	1.5
66.81413	1.3
69.49077	2.7
69.49485	7.5
71.01378	9.4
83.01402	1.8
85.02915	1.6
89.02441	10.1
93.03455	99.2
94.03789	3.0
96.99308	12.4
98.19957	2.8
101.02438	5.7
113.02421	4.2
117.03445	9.1
119.03515	3.4
119.05018	3.9
123.04517	8.5
130.04253	8.8
131.05019	18.1
133.02943	17.4
135.04538	11.8
140.06363	1.5
143.05020	92.5
144.05373	4.0
144.11717	1.8
145.02951	11.9
147.04489	3.2
159.04483	4.0
161.02412	9.9
171.04512	10.2
179.03490	7.7
179.05559	4.2
203.03488	2.1
210.06845	2.3
211.07639	25.8
212.08003	1.8
219.08128	4.6
221.09784	7.5
222.06755	3.2
223.07574	5.5
235.07635	18.0
236.08220	1.9
237.09192	24.6
238.09383	1.7
247.07693	3.6
263.07083	3.7
264.07993	3.0
265.08661	100.0
266.09006	11.1
279.06549	1.8
281.08188	3.9
297.07623	5.0
299.18573	3.8
309.07654	34.8
310.07907	3.6
311.09213	4.5
327.08759	11.3
328.09000	1.7
341.10599	10.7
341.14203	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	339.1995
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
57.12804	0.2
68.01355	0.2
70.18208	1.0
70.29150	0.2
70.36791	0.3
70.58076	0.2
74.49412	0.3
76.90782	0.2
79.95358	0.3
79.95770	1.0
98.95580	0.3
119.05025	1.0
122.46572	0.3
139.05417	0.3
159.27501	0.3
170.00432	1.7
183.01192	44.5
184.01788	3.1
186.88753	0.3
193.94170	0.3
197.02759	3.3
198.03508	0.5
201.99371	0.4
206.49654	0.3
211.04402	0.4
216.00974	0.8
225.05930	0.9
239.07413	1.1
253.08990	0.4
275.23721	0.3
309.07510	0.3
339.19952	100.0
340.20264	11.8
349.65833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.75281	0.2
54.17328	0.2
54.55468	0.2
69.93360	1.1
74.87922	0.2
79.66600	0.2
119.81627	0.2
121.64507	0.2
130.47235	0.2
147.08195	0.3
163.11278	100.0
164.11607	6.1
183.01221	0.3
186.43983	0.2
190.90642	0.2
264.10349	0.2
283.02588	0.2
339.23251	45.1
340.23575	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	339.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69609	0.6
55.89190	0.7
59.01379	100.0
60.01726	1.4
61.78867	0.6
71.51348	0.9
82.84382	0.6
112.28437	0.6
147.41841	0.6
159.43327	0.7
183.01244	1.8
251.24240	1.0
266.50388	0.8
279.23331	6.0
280.23587	0.9
297.24335	44.9
298.24719	4.2
339.20132	2.4
339.25391	16.4
340.25806	2.1
350.33450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73369	0.7
57.03433	0.9
58.00575	2.7
59.01377	73.1
60.01702	1.2
69.38054	3.5
69.38476	1.8
70.14850	0.7
71.01379	40.0
71.04971	0.8
72.01716	0.9
72.99302	3.3
73.02943	1.5
83.01378	3.8
85.02950	7.9
87.00864	5.0
89.02442	42.8
95.01392	4.1
99.00867	3.9
101.02438	28.1
109.02950	3.8
111.00856	2.2
111.93875	0.7
113.02449	18.3
113.09722	1.0
115.00370	6.4
115.26845	0.7
115.67461	0.7
117.16695	0.7
119.03497	20.9
120.99620	1.5
125.02451	1.4
131.03468	1.0
133.02924	2.4
135.04494	2.1
139.00404	0.9
143.03493	1.2
145.03021	1.0
147.04492	2.3
148.05273	1.2
149.04713	1.5
149.06067	24.8
150.06439	0.9
151.04025	0.8
153.01953	1.0
159.03030	0.8
161.02431	7.3
161.04544	1.8
161.05980	1.1
163.04007	1.9
165.02025	0.9
165.05612	1.1
175.02458	4.7
175.03990	3.1
177.01953	5.6
179.03456	0.9
179.05595	2.4
189.05617	1.3
191.05641	1.2
193.05020	3.7
202.02730	1.2
203.07130	1.0
205.05045	1.1
206.02203	1.0
217.04994	1.5
219.02959	5.7
233.04581	5.2
237.04012	10.2
249.07610	0.9
277.03458	1.9
287.80405	0.8
293.06506	1.7
319.04764	1.1
337.05975	2.6
337.15009	100.0
338.15335	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	337.2053
Annotation	Idebenone
Peak:m/z	Relative Intensity
57.15895	0.5
59.01375	1.0
61.98818	0.6
62.54480	0.4
64.97015	0.5
68.12830	0.5
70.65105	1.2
79.95731	8.5
80.96527	1.2
84.12910	0.4
94.67368	0.5
94.98061	1.2
95.95235	1.7
96.96008	79.9
112.91797	0.4
122.97581	2.9
221.26714	0.4
242.93167	0.5
255.23267	0.5
300.74722	0.4
330.73422	0.4
337.20532	100.0
338.20853	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	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.68362	0.3
52.31769	0.4
54.60798	0.3
55.38533	0.4
59.01369	1.9
65.00321	1.0
65.03963	1.4
67.01870	0.9
68.39498	0.3
68.99832	0.6
70.16037	0.3
71.01383	0.7
72.45438	0.4
90.92995	0.4
91.01891	48.9
91.74213	0.4
92.02211	1.7
98.52515	0.3
107.01416	0.4
108.02146	1.3
109.02947	14.0
121.02946	1.0
123.04519	1.0
125.48931	0.4
133.02966	1.0
135.00880	100.0
136.01164	3.6
137.02434	2.6
143.04646	0.5
149.02429	1.4
153.01929	58.8
154.02269	2.7
161.02423	1.5
163.09268	0.4
177.01961	1.1
189.01912	1.3
198.03404	0.3
229.61336	0.4
229.63354	0.3
258.49863	0.4
279.05093	1.3
297.06018	0.6
339.07172	32.9
340.07434	2.5
342.51083	0.4
348.78397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18898	0.6
52.44584	0.7
55.01864	1.0
57.03435	1.2
58.00577	3.0
59.01377	75.7
60.01702	1.3
61.98836	0.9
66.91564	0.8
71.01380	41.2
71.04956	0.9
71.51533	0.8
71.51929	1.0
72.99297	2.9
73.02942	1.3
83.01382	3.0
84.72710	0.7
85.02953	7.2
87.00858	3.7
89.02444	36.7
93.03476	1.0
95.01378	2.2
99.00864	3.6
101.02438	24.6
109.02941	3.0
111.00861	1.2
113.02449	13.3
113.09706	1.2
115.00362	5.1
119.03498	19.4
120.03764	0.8
120.99642	0.9
121.02903	0.7
121.06570	0.9
131.03508	1.7
133.02950	2.4
135.04550	1.9
143.03508	1.5
145.02896	0.7
147.04524	2.0
149.06070	20.1
150.03143	0.8
150.06372	1.2
161.02431	7.4
161.04501	1.7
163.03999	1.9
165.05560	1.1
174.03270	0.7
175.02443	4.3
175.03995	4.2
177.01913	5.0
179.03534	1.1
179.05566	1.9
189.05519	0.9
191.05518	1.4
193.05025	3.3
206.02122	1.0
219.03017	5.5
220.03241	0.7
233.04552	5.0
237.04007	9.4
249.07724	1.4
277.03580	2.8
293.06549	1.3
337.05991	2.8
337.15018	100.0
338.15311	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87325	0.5
57.17315	0.6
59.01379	100.0
60.01713	1.2
65.37253	0.5
65.69723	0.5
66.91672	0.6
69.73357	3.1
71.01381	7.5
75.89410	0.6
83.01418	0.6
85.02955	1.4
87.00882	1.6
89.02438	9.4
96.76109	0.5
98.20645	0.8
101.02463	3.8
113.02425	2.6
115.00464	0.7
119.03509	4.3
137.02484	0.6
139.04080	0.6
143.03534	1.0
161.04570	1.6
177.01964	0.9
179.03452	0.7
179.05624	4.1
277.13022	1.8
299.07941	1.1
321.79837	0.6
337.14890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53746	0.3
57.03445	0.6
59.01156	0.2
59.01377	5.1
59.01652	0.4
61.98831	0.4
67.01906	0.3
68.99816	0.3
69.28245	1.8
71.01382	5.3
72.99308	0.7
73.02958	0.6
74.02441	0.3
74.10352	0.2
75.00842	0.3
83.01393	0.4
84.02176	0.4
85.02943	6.8
87.00877	2.5
90.15934	0.2
92.98712	0.3
95.01379	1.9
98.19924	0.4
99.00887	0.8
103.00377	0.9
105.03418	0.4
109.02957	0.4
111.00837	0.4
113.01238	0.3
113.02451	7.0
115.00372	1.7
117.03463	0.3
120.74886	0.3
121.02991	0.3
123.04495	0.2
129.01929	0.4
132.02165	1.0
133.02954	21.3
134.03372	0.4
135.04520	5.3
137.02409	0.6
152.03484	0.4
157.01431	0.6
160.01675	1.2
161.02432	100.0
162.02773	5.4
163.03989	0.5
173.06154	0.3
175.02461	2.5
175.04005	1.9
177.05566	0.6
179.03484	2.4
180.02988	1.0
191.03481	0.4
203.03481	1.3
219.03001	1.3
234.04131	0.3
245.04485	1.5
277.03427	0.3
287.47565	0.3
337.05618	21.1
338.05927	1.6
342.28900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
54.52772	0.3
55.01873	0.6
57.03438	1.0
59.01382	6.3
62.77886	0.3
68.99844	2.1
69.03450	2.2
70.33440	0.3
71.01377	5.2
71.51043	0.5
72.99292	0.9
73.02935	1.7
74.02452	0.4
75.00863	1.3
78.95904	0.4
80.80210	0.3
83.01357	1.9
85.02947	6.8
87.00873	10.7
89.02452	1.7
95.01376	1.3
95.05003	0.4
97.02958	0.5
99.00879	5.0
101.02437	2.6
102.05588	0.3
102.90619	0.3
111.00873	2.5
112.98747	1.0
113.02438	7.8
113.99582	14.0
115.00373	20.1
116.00697	0.4
117.01863	0.6
127.00384	2.4
128.03499	0.6
129.01926	1.1
131.03491	0.5
137.32349	0.3
139.00343	1.5
139.03998	1.3
141.01997	0.4
145.01408	0.5
145.06189	0.7
146.04602	1.2
146.08215	0.6
157.01430	4.4
157.05006	2.1
162.89403	0.4
169.01379	1.5
174.01683	16.0
175.02478	3.3
200.96587	0.3
204.86591	0.3
277.05637	15.0
278.05920	0.9
292.04407	0.3
337.07739	100.0
338.08093	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	335.1287
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
70.81881	0.5
70.82191	0.5
90.45095	0.4
132.25256	0.4
228.70337	0.4
248.91837	0.4
254.05833	1.5
261.09354	0.4
263.07193	0.8
267.06760	1.7
277.08667	2.4
278.05896	0.8
279.06573	2.8
280.07355	0.8
289.09058	0.4
291.06616	66.8
292.07004	7.7
293.08170	0.5
305.08163	4.6
306.08939	3.0
307.09900	0.4
319.09760	0.5
335.12860	100.0
336.13159	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	336.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21079	0.5
52.81894	0.4
60.09654	0.5
61.98828	100.0
69.93429	2.2
72.37039	0.6
72.73743	0.5
86.50731	0.5
98.20747	0.5
122.73391	0.5
175.02528	0.7
274.07108	0.7
315.71841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65198	0.4
61.98825	100.0
69.94286	1.9
85.06540	0.4
87.30502	0.4
95.18764	0.4
98.20686	0.4
146.77629	0.4
175.02475	0.6
301.46771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27475	0.3
58.47532	0.3
59.01374	0.6
61.98826	100.0
69.43266	1.9
71.01384	0.5
77.60905	0.3
85.02938	0.6
95.01424	0.4
110.06067	0.3
113.02453	0.7
115.00381	0.8
133.02921	2.0
135.04529	0.7
151.07672	0.5
161.02426	9.9
175.01199	0.3
175.02469	1.6
186.92366	0.3
191.41093	0.3
198.54193	0.3
277.50281	0.3
320.97858	0.3
337.05637	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	336.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.98829	100.0
68.09812	0.4
70.96873	0.7
70.97181	0.7
71.01376	3.2
82.69859	0.5
85.74226	0.5
87.00865	5.5
115.00367	12.0
135.04497	2.2
175.02461	28.4
179.03561	1.4
191.05627	0.7
228.55663	0.5
239.64285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59937	0.2
57.03445	0.9
59.01371	3.3
61.98825	6.4
63.99269	0.3
68.99790	0.2
69.24725	1.8
71.01376	5.3
72.99303	0.7
73.02937	0.5
75.00877	0.2
84.69952	0.2
85.02945	5.9
86.03338	0.2
87.00873	1.6
87.34729	0.2
90.51842	0.2
95.01375	1.7
99.00892	0.7
103.00364	0.9
105.03468	0.4
109.02986	0.3
109.05350	0.3
111.00879	0.3
113.02444	6.1
115.00381	1.3
117.03481	0.4
117.68665	0.2
129.01836	0.4
132.02156	0.8
133.02945	20.0
134.03180	1.0
135.04507	5.3
137.02402	0.3
147.04538	0.3
149.06145	0.3
161.02426	100.0
162.00760	0.2
162.02771	5.4
163.04045	0.4
175.02464	2.1
175.03899	0.4
176.02867	0.3
177.05544	0.4
179.02032	0.3
179.03500	2.4
184.47920	0.2
191.03503	0.5
194.48761	0.2
201.05591	0.3
203.03481	1.1
219.02968	0.9
221.04503	0.2
245.04460	1.3
261.29782	0.2
337.05600	20.8
338.05994	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	335.077
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.01794	0.5
59.01372	0.8
61.98829	7.0
70.74883	1.7
71.01376	1.2
73.02936	1.9
81.03468	0.9
83.01421	1.0
83.05020	1.8
85.02943	0.7
88.77370	0.6
93.03457	12.3
99.00864	1.1
105.28531	0.7
107.05042	1.1
109.02935	2.2
111.04510	3.3
117.03445	0.6
122.06103	0.9
123.04549	0.7
124.07685	1.6
125.02459	1.8
133.02959	8.0
134.03717	4.6
135.04518	100.0
136.04881	3.1
137.02443	6.0
142.99847	1.9
145.01381	0.7
148.04042	1.1
150.05609	0.6
151.00340	2.0
152.88460	0.5
153.01929	2.0
155.03529	2.4
158.36623	0.6
161.02425	23.3
162.02695	0.8
163.00356	0.8
165.01912	1.1
167.03513	0.9
173.04552	2.0
179.03482	81.2
180.03836	4.3
181.01425	1.3
191.07172	0.7
219.03139	0.9
221.04465	0.6
263.01895	0.8
273.12283	1.5
278.86646	0.6
291.08820	0.7
291.13495	1.4
317.02979	0.8
335.04129	1.6
335.07715	26.9
335.12192	2.3
336.08038	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	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.13536	0.6
61.98829	1.5
65.03958	1.0
68.78011	0.6
69.03440	0.8
69.30711	4.5
70.37077	0.6
71.01381	2.1
73.02943	1.2
78.95902	1.0
81.03470	2.0
83.01400	1.2
83.05020	6.1
85.02950	0.7
89.02412	0.7
93.03455	37.1
94.03822	0.6
107.01390	1.4
107.05020	1.5
109.02959	1.8
111.03736	1.0
111.04515	19.0
133.02974	6.7
134.03746	7.6
135.04523	92.5
136.04839	3.6
137.02428	12.5
139.04033	1.1
142.99829	0.7
147.04539	1.1
148.03993	0.7
155.03496	15.1
161.02435	11.7
162.02771	1.2
172.23976	0.6
173.04547	2.0
173.08168	0.9
178.02715	2.1
179.03491	100.0
180.03824	5.1
219.02916	1.0
227.06880	0.7
247.02522	1.0
247.09796	1.7
263.01926	1.4
273.12292	0.8
282.08752	0.6
291.04041	1.1
291.08688	1.3
291.13287	0.8
317.06940	0.9
335.07684	9.9
335.11917	1.2
335.20694	0.9
336.08084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99605	12.8
59.01365	2.5
61.20752	0.5
65.67761	0.4
74.99091	1.6
76.64620	0.4
101.45557	0.4
102.98592	100.0
103.98926	1.2
112.98420	0.4
117.22449	0.5
117.75089	0.4
120.99648	10.5
125.57404	0.5
139.11266	2.5
163.00697	6.1
174.65945	0.4
185.43826	0.5
188.88472	0.4
229.04311	0.6
239.24329	0.4
306.54239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21637	1.1
59.01377	38.4
64.11221	0.7
69.40051	3.5
69.40460	2.6
69.47276	0.8
71.01382	1.7
83.01356	1.1
83.05009	0.9
89.02502	1.1
91.03967	1.6
94.31379	0.8
111.08167	0.9
111.68670	0.8
114.32683	0.9
125.02440	2.3
127.11320	1.4
135.04549	1.1
136.85667	0.8
137.09731	12.9
153.09177	1.2
155.10774	100.0
156.11111	4.1
171.10251	24.4
181.08678	3.4
182.02223	5.2
199.09724	21.8
215.12900	1.1
217.10791	39.5
218.11122	2.0
221.19386	0.9
241.01045	1.0
253.05379	1.9
273.13400	22.6
274.13724	1.1
289.07034	1.2
291.14471	80.4
292.14713	5.4
294.51523	0.9
333.15524	41.4
334.15894	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	333.9263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31828	1.7
54.72482	1.3
58.23966	1.6
59.01373	1.9
59.26456	1.3
65.84390	1.5
68.89987	1.7
71.01375	4.5
71.51332	2.9
72.99294	6.8
78.95899	43.0
87.92531	100.0
88.98795	2.3
96.96954	10.1
98.09816	1.4
98.82272	1.6
103.92030	89.1
104.92097	3.5
104.92803	36.8
105.93588	14.2
106.82526	1.6
106.94360	2.8
107.89735	1.6
112.80515	1.7
113.55786	1.4
119.91524	4.5
123.94665	17.8
125.02422	3.9
129.93544	1.6
133.01411	2.5
145.96703	1.8
147.94650	6.5
152.99573	31.9
153.99948	7.5
160.91776	4.9
171.00638	1.7
173.96210	6.5
175.94032	2.1
199.94118	2.0
211.15814	1.6
217.95193	15.2
227.93591	10.3
241.01169	10.1
242.01517	6.5
245.94649	17.0
273.90497	8.1
289.93457	1.7
315.91550	16.0
333.05933	19.3
333.92648	5.8
334.06277	32.1
335.06320	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	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.7
59.01373	0.9
60.01805	0.5
61.98830	0.7
65.07130	0.5
70.97016	0.8
71.01385	1.1
79.01879	0.5
81.03478	0.6
83.01385	1.6
93.03460	3.2
97.02939	1.2
101.02431	0.6
105.03501	0.5
108.02216	0.6
109.02952	4.1
120.02173	0.8
120.37865	0.5
121.02936	6.4
123.00906	0.7
125.02443	100.0
126.02740	2.9
132.02208	0.7
137.02437	11.7
138.02927	0.7
139.04012	1.0
149.02448	5.8
151.04016	0.5
155.03447	0.9
163.00360	1.8
164.01144	7.1
165.01927	23.7
166.02321	1.2
176.01187	0.6
177.01924	67.0
178.02286	3.4
179.03450	1.0
183.58272	0.7
197.04536	11.2
215.03648	0.5
237.58232	0.5
259.06644	0.8
282.37665	0.6
299.05508	0.7
303.05139	3.4
304.05640	0.9
335.07718	1.2
335.13412	0.8
341.79028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0592
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
53.63580	0.5
54.90607	0.5
59.01357	1.1
62.76414	0.5
70.11356	2.6
77.10264	0.6
78.95901	80.9
81.53505	0.6
96.96964	15.4
150.97949	1.0
152.99582	71.7
153.99886	0.6
171.00627	8.6
223.00150	0.9
232.60176	0.5
241.01180	37.5
242.01505	0.9
259.02219	2.5
304.51831	0.7
333.05902	100.0
334.06271	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	333.113
Annotation	Isopongaflavone
Peak:m/z	Relative Intensity
52.55157	0.2
71.51041	0.2
100.35476	0.2
110.07800	0.1
118.62843	0.1
121.84863	0.2
153.09805	0.2
171.52512	0.2
177.95064	0.2
185.81117	0.2
232.04456	0.1
259.07648	0.4
288.04169	0.3
289.12216	0.2
302.05756	0.2
303.06601	62.5
304.06989	6.3
312.28162	0.2
317.08295	0.4
320.28876	0.2
333.11295	100.0
334.11636	12.7
334.15826	0.3
336.06461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34207	1.6
59.01379	56.2
61.98823	4.7
71.01389	11.7
71.52393	2.3
72.00898	1.5
73.04048	2.2
73.87662	1.5
78.39749	1.5
78.95885	7.9
83.01383	2.8
84.42197	1.8
85.02972	2.3
87.00877	10.5
89.02431	2.4
89.95650	2.1
96.96895	2.3
99.00907	1.8
105.01926	5.2
111.08157	2.8
115.00362	34.6
115.04440	1.9
117.01978	2.5
118.06614	2.2
125.09686	1.9
127.11246	1.6
129.10286	2.2
135.04485	3.1
137.09764	12.5
137.53461	1.7
145.02933	2.8
147.04491	3.3
151.07655	11.1
152.99559	5.6
155.10771	100.0
156.11121	4.9
157.86296	1.7
161.02429	1.8
164.07169	7.1
168.11314	1.9
168.54761	1.9
169.09894	2.4
171.10263	34.9
175.02464	65.3
175.04010	3.1
176.02805	2.4
181.08643	6.2
186.12465	7.4
199.09743	20.9
213.07686	4.3
217.10780	35.9
218.11194	4.1
231.03261	1.7
232.10776	1.5
241.01239	4.1
259.11908	2.4
273.13440	20.5
275.32910	1.6
291.14499	84.4
292.14853	3.7
317.24335	1.9
333.05927	7.2
333.15543	42.2
334.17941	15.4
354.03845	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26748	0.3
59.01373	1.2
70.71866	0.6
70.72202	0.4
71.01379	0.7
75.00886	0.4
79.29398	0.3
80.76037	0.4
83.01396	0.4
84.41972	0.4
90.07498	0.4
112.98856	0.6
116.64778	0.3
117.01962	0.6
118.61996	0.3
135.02948	0.7
167.03580	0.3
183.13887	13.4
184.14221	1.1
195.13889	12.3
196.14217	0.7
211.13319	0.9
213.14949	100.0
214.15286	6.5
221.03586	1.0
247.06267	0.3
251.19771	0.4
285.73120	0.4
329.04620	0.4
331.06860	0.6
331.17615	6.6
332.18063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
59.01360	2.4
61.98815	1.0
63.02389	3.0
65.00326	8.0
67.01894	2.2
71.01392	0.7
71.51646	1.1
76.81705	0.8
78.95895	4.0
81.03439	1.3
83.01379	9.6
93.03455	4.2
95.01377	2.8
107.01386	6.7
107.05002	1.8
109.02952	6.3
111.00873	1.0
117.03446	1.2
119.04972	1.5
121.02963	0.9
123.04523	1.3
125.02447	22.9
126.02725	0.9
128.40134	0.8
130.04236	0.9
131.05013	3.4
133.02948	2.8
135.00922	1.0
135.04523	16.7
137.02451	6.6
139.05531	0.7
143.05006	1.8
145.02911	1.1
147.04498	1.8
149.02428	1.1
149.06105	1.5
151.00365	13.3
152.99574	2.8
153.01967	0.9
154.99838	1.2
155.04993	1.5
159.04504	6.1
159.31410	0.8
161.02484	3.6
161.06030	1.6
163.00314	1.9
165.01929	3.8
171.04463	2.4
173.05959	1.8
174.03171	1.2
175.03978	8.2
177.01927	3.9
177.05534	2.9
178.99860	1.1
179.03523	2.5
183.04620	1.8
187.03946	1.9
189.05576	1.8
191.03476	1.5
193.01399	1.1
199.04002	2.6
201.01840	2.1
201.05579	1.5
203.03491	6.2
214.02571	0.9
215.03487	5.5
217.05017	3.8
217.63837	0.7
219.03104	1.4
227.03598	4.4
229.01445	1.2
241.01067	1.2
243.02988	4.9
245.04538	2.7
258.61322	1.0
261.03979	1.1
271.02362	4.6
289.03534	100.0
290.03906	8.6
297.09659	1.0
333.02466	7.2
333.06049	3.4
333.15405	1.7
333.19058	1.8
334.02878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.082
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
53.79435	0.8
57.03436	3.8
58.74242	0.8
59.01356	2.4
65.00315	0.8
68.99799	1.6
69.30991	6.6
73.46908	0.7
79.05508	1.1
81.03446	8.4
83.01381	40.8
83.05010	1.6
85.02894	0.8
86.78807	0.8
93.03458	11.9
99.04528	1.2
107.05063	1.0
109.02972	0.8
117.03432	1.8
119.05019	27.2
120.05343	1.4
123.03623	1.6
123.04519	29.1
125.02434	15.9
125.06116	1.7
133.06606	9.4
135.04527	1.4
143.05014	4.1
145.01949	0.9
145.02913	5.9
149.02428	1.5
149.06036	6.0
151.00374	1.5
154.48764	0.8
156.05779	1.1
157.06523	3.5
159.04506	1.6
159.08121	15.9
161.06075	15.2
163.04031	2.0
165.99013	0.9
167.03481	96.8
168.00627	2.1
168.03810	3.2
169.01422	1.6
171.26384	0.8
185.06009	6.1
187.04002	1.1
193.05045	1.7
201.09178	7.5
203.07129	43.1
204.07382	3.7
205.05029	1.1
221.08121	1.0
225.09319	4.0
227.07111	5.4
229.04979	2.7
243.10196	8.6
245.08144	7.3
263.09256	1.2
271.03540	0.9
271.06024	5.0
272.06680	0.9
287.09259	17.1
288.09409	1.1
289.07193	5.9
330.28098	0.8
331.08194	100.0
332.08481	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	331.0669
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01365	0.8
62.25512	0.6
63.88343	0.7
69.03445	2.1
69.28783	5.2
69.29188	1.5
72.33800	0.7
79.01900	2.2
81.03445	1.8
83.01398	1.3
97.02950	3.0
107.01379	2.4
107.61673	0.9
123.00887	3.5
124.01657	14.5
125.02449	100.0
126.02779	3.2
149.99594	24.1
151.00314	3.1
167.03555	1.3
168.00653	46.2
169.01431	93.2
170.01758	2.4
181.88651	0.7
254.07927	0.9
271.95084	1.1
313.05661	6.5
317.53946	0.8
331.06699	90.9
332.07004	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	331.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81217	0.5
57.03448	3.6
59.01376	6.7
62.05622	0.5
65.00305	3.4
67.01868	0.6
67.68436	0.5
70.34175	1.3
71.01392	3.9
72.99297	0.5
78.62658	0.5
79.01875	0.8
81.03461	1.7
83.00919	0.7
83.01384	10.0
85.02956	0.9
85.68930	0.5
87.00880	1.1
89.02447	1.7
95.01392	0.8
97.02973	0.8
97.71370	0.5
99.00899	0.8
99.33897	0.6
101.02438	1.7
107.01391	7.1
113.02454	1.2
115.00380	1.1
117.68661	0.5
123.00881	6.6
124.01675	2.8
125.02441	48.3
126.02778	1.6
131.01390	0.8
137.02441	0.7
139.00366	1.1
141.01932	1.3
142.11813	0.6
149.02379	0.9
149.99583	2.6
151.00365	43.7
152.00714	1.5
153.01736	0.6
159.82161	0.5
167.03488	2.7
168.00635	9.2
169.01416	43.2
170.01735	2.1
175.00378	5.4
175.02432	1.5
176.00706	0.7
183.02972	1.2
190.70889	0.5
193.01448	4.4
195.02995	2.2
207.38757	0.6
211.02460	6.4
212.02797	0.5
223.02502	2.6
227.10327	0.6
241.03491	3.8
271.04565	2.5
313.05661	1.1
331.06683	100.0
332.07065	8.3
332.10748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03436	3.3
59.01377	7.5
63.41271	0.7
65.00301	2.0
71.01376	4.7
71.05113	1.1
79.01895	0.9
81.03450	1.7
83.01381	9.4
89.02425	2.4
95.01369	1.0
97.02953	1.0
101.02445	3.2
107.01392	6.9
108.02157	1.1
113.02394	1.1
123.00883	5.9
124.01637	3.1
125.02439	51.9
126.02779	1.4
139.00380	2.5
139.04013	1.1
141.01993	0.8
149.02463	0.7
151.00357	41.5
152.00728	2.1
152.81438	0.7
154.34525	0.7
167.03465	2.0
168.00616	4.1
169.01414	49.1
170.01817	2.1
172.81529	0.7
175.00337	4.5
183.02899	0.8
186.57297	0.8
193.01385	3.6
195.02972	0.7
202.80463	0.8
211.02472	5.3
211.49286	0.7
223.02509	1.0
241.03438	1.1
246.05620	0.7
259.52792	0.7
271.04565	3.2
313.05539	0.9
331.06677	100.0
332.06937	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	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03462	1.2
59.01380	18.5
69.03455	1.3
69.26956	1.6
69.27360	5.1
71.01381	11.8
72.99277	0.7
73.02953	1.0
75.91451	0.6
76.39877	0.6
77.54082	0.7
81.03429	1.3
83.01378	9.6
85.02959	3.1
87.00877	1.3
89.02438	12.5
91.05553	0.7
93.03442	1.1
95.01398	2.2
95.05010	1.8
97.02966	2.7
99.00893	3.1
101.02440	5.7
107.01357	0.7
107.08659	14.6
108.02171	0.8
109.02963	2.9
111.00899	2.7
113.02434	6.7
119.03497	6.2
121.02962	1.5
123.04512	2.3
125.02441	19.0
131.03491	0.8
135.04530	2.1
137.02417	4.7
139.00356	1.0
140.01212	0.8
141.01936	20.1
142.02243	0.9
143.03542	0.9
149.02440	1.9
150.03174	0.8
151.00345	4.2
151.04018	12.3
153.01923	4.7
155.03459	1.2
161.04501	1.0
165.01939	3.5
166.02658	1.2
167.03484	40.9
168.03864	2.0
169.01419	21.7
170.01756	0.8
177.01920	1.3
178.99928	0.8
179.03488	6.8
179.05682	1.0
180.03865	0.8
181.01398	3.1
181.05103	0.8
182.02238	1.6
183.02971	29.8
184.03377	1.4
193.01369	1.5
195.02974	53.3
196.03377	2.2
197.04504	2.9
201.09363	0.9
205.01437	0.8
207.02946	0.8
209.00905	2.9
209.04471	1.2
211.02466	22.6
212.02805	1.5
213.87585	0.8
223.02464	70.7
224.02811	3.8
225.04013	3.2
235.02261	1.7
237.04041	1.1
241.03522	100.0
242.03894	5.1
253.03545	6.1
254.03725	0.8
271.04684	0.8
287.10342	1.7
295.04675	1.0
295.12042	0.8
313.05573	9.2
331.06671	44.8
331.13782	4.1
331.17227	1.0
332.07019	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	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01369	1.8
62.61113	0.6
68.99789	0.7
69.03444	0.8
69.71999	3.6
71.01373	0.9
71.27673	0.7
81.03458	8.4
83.01377	5.0
84.20979	0.7
93.03433	0.9
95.05022	11.7
97.02945	2.4
98.20577	1.0
99.04501	3.0
102.98534	0.9
109.02947	0.6
121.02930	1.8
122.03739	2.8
123.04522	16.9
125.02441	15.4
127.72253	0.5
135.00908	0.7
135.04567	0.8
137.02441	2.2
137.06085	15.5
139.04002	2.0
141.05606	1.5
149.02393	1.5
149.06012	1.1
155.03491	1.0
163.00389	0.8
165.01889	0.9
165.05611	4.0
167.03487	51.1
168.03859	2.3
179.03490	7.6
181.05054	2.5
193.05043	2.2
197.04486	2.1
206.02209	1.3
209.04535	100.0
210.04913	5.8
221.04524	2.6
239.05580	23.0
240.05948	0.9
251.05614	1.2
291.07745	1.2
311.07645	0.6
329.08810	9.2
334.32889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1026
Annotation	Nigrolineaxanthone D
Peak:m/z	Relative Intensity
58.31017	0.7
59.01366	6.9
61.98823	1.3
98.19875	2.0
123.04430	1.0
147.60266	1.0
167.03464	2.7
171.10246	1.1
175.70790	1.0
188.04794	2.8
203.07133	2.8
214.02670	2.7
227.03503	8.9
228.04268	6.7
229.05054	2.2
230.05890	1.0
245.08115	1.4
256.03754	64.5
257.04022	2.8
271.06100	100.0
272.06448	8.5
296.06421	1.1
298.86694	1.0
299.02213	1.2
314.04391	1.9
329.06635	3.4
329.10242	35.7
329.23172	2.2
330.10458	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	329.2329
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.44596	0.5
57.03432	1.2
59.01368	4.3
61.98824	2.6
69.03463	0.7
70.94684	1.3
71.01369	0.6
85.62841	0.5
97.06586	0.9
99.08157	6.0
100.16634	0.6
105.95998	0.5
108.05930	0.5
115.00398	0.6
123.04533	1.0
125.09715	1.1
127.11296	4.4
128.78978	0.6
139.11296	8.8
147.74216	0.6
155.10762	0.7
167.03448	1.8
167.14441	1.0
171.10257	21.8
172.10614	1.0
183.13922	3.8
192.11847	0.6
193.12323	1.4
199.13382	0.8
201.11444	0.6
209.11810	1.1
211.13373	19.7
212.13678	0.9
213.14973	0.6
229.14417	10.8
230.14735	1.2
271.36288	0.7
292.64264	0.6
293.21185	0.8
311.22211	1.0
314.04227	0.7
329.23303	100.0
330.23608	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	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.11016	0.9
55.01847	1.0
59.01372	3.8
69.03439	1.8
69.24879	0.9
70.44757	0.9
70.82359	2.0
70.82694	1.8
71.01382	3.6
74.42500	0.9
77.79344	1.0
79.01892	1.6
81.74406	1.0
83.01384	7.7
84.47713	1.0
85.02950	1.7
93.03452	1.5
97.02982	2.8
99.00860	2.1
107.05055	1.4
109.02943	2.5
111.00848	2.1
113.02435	3.0
123.04520	3.2
125.02427	8.1
137.02457	5.0
139.03947	1.5
139.95827	1.3
141.01924	22.5
149.02455	1.1
151.00360	3.8
151.03998	12.2
153.01941	3.8
165.01915	3.7
167.03479	38.6
168.03877	2.3
169.01398	4.5
169.03883	1.6
179.03555	7.3
181.01398	3.0
182.02170	1.9
183.02968	28.1
184.03296	1.6
195.02982	53.6
196.03331	2.3
197.04465	1.9
209.00859	3.0
211.02475	24.0
223.02464	74.3
224.02837	4.4
225.04076	3.3
241.03526	100.0
242.03873	5.1
253.03557	7.9
255.05014	1.9
295.04544	3.0
313.05667	10.1
331.06665	50.8
332.07025	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	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54576	0.2
57.03466	0.4
59.01382	0.3
59.10535	0.2
64.10921	0.3
64.52154	0.2
65.00338	0.3
71.24815	0.3
75.64430	0.3
81.03453	2.7
83.01381	1.7
91.63848	0.2
95.05024	0.4
107.01379	0.3
123.04520	21.3
124.04841	0.8
125.02425	4.6
126.02828	0.3
126.33489	0.3
138.16066	0.3
138.17323	0.2
149.02443	0.8
151.00363	0.8
167.03484	100.0
168.03833	4.8
168.05247	0.2
191.03511	0.8
197.69087	0.2
209.04585	0.8
243.45296	0.2
329.08707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0874
Annotation	32142-31-7
Peak:m/z	Relative Intensity
56.47245	0.3
57.03431	0.5
59.01375	0.3
63.86322	0.2
65.00311	0.3
70.97135	0.5
81.03452	3.2
83.01366	1.8
85.52057	0.2
91.92313	0.3
95.05003	0.5
107.01402	0.4
123.04517	20.7
124.04854	0.4
125.02435	3.9
140.77991	0.2
149.02409	0.7
151.00333	1.0
161.79068	0.2
163.03978	0.3
167.03479	100.0
168.03815	4.1
191.03484	0.7
209.04556	1.4
233.04227	0.2
329.08694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
50.64225	0.6
57.03446	0.9
59.01371	2.0
69.03451	0.8
69.71425	2.5
71.01373	0.8
75.07556	0.6
78.63697	0.6
81.03451	8.3
83.01375	6.9
93.03457	0.8
95.05028	12.9
97.02934	2.4
98.19858	0.8
98.46111	0.7
99.04517	2.6
107.05054	0.8
111.04522	0.8
121.02948	1.2
122.03720	2.4
123.04528	17.0
125.02461	16.3
135.04518	0.8
137.02454	2.2
137.06081	12.9
139.04005	2.5
141.05602	1.0
149.06090	1.3
151.04012	1.2
151.60788	0.6
163.00421	0.9
163.03920	0.8
165.01839	0.9
165.05576	3.7
167.03491	45.8
168.03833	1.8
179.03458	8.2
180.04047	0.8
181.05063	3.4
186.12303	0.7
188.81422	0.7
193.05061	2.4
194.12262	0.8
197.04555	2.8
206.02206	1.3
209.04539	100.0
210.04874	6.2
221.04456	1.9
224.38911	0.6
224.41444	0.7
239.05602	24.3
240.05899	1.5
251.05548	1.5
311.07581	1.1
311.23331	0.7
329.08835	6.1
330.08667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	32142-31-7
Peak:m/z	Relative Intensity
50.28663	0.3
57.03441	0.5
59.01374	0.8
65.00318	0.8
69.03455	0.6
69.14713	1.1
69.15115	2.8
71.01373	0.6
71.28893	0.4
81.03457	4.9
83.01369	2.6
93.03462	0.4
93.79732	0.4
95.05018	0.8
97.02943	0.5
103.97268	0.4
121.02909	0.4
123.04520	37.5
124.04865	1.2
125.02448	4.4
135.04524	0.6
137.02437	1.1
139.04022	0.5
149.02448	1.3
151.00377	1.3
151.04066	0.9
163.04079	2.1
166.02722	0.8
167.03487	100.0
168.03804	4.4
175.00391	1.5
179.03564	0.8
180.04248	0.5
181.05084	3.6
185.53485	0.4
191.03493	25.7
192.03783	1.3
209.04547	9.6
212.13374	0.4
221.04608	2.9
221.06497	0.6
233.04671	0.5
269.06656	0.6
329.08694	5.7
329.11984	0.6
330.09265	0.7
346.07852	0.4
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	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.14209	0.5
57.78577	0.6
64.69738	0.5
70.05361	1.9
71.01395	0.8
73.02947	0.6
79.05515	1.5
80.03497	0.4
81.03448	1.1
98.19957	0.8
102.98571	0.6
108.02168	53.9
109.02506	1.3
123.04520	36.3
124.04855	1.4
149.02402	3.4
152.01141	40.3
153.01479	1.6
156.02655	0.4
167.03484	100.0
168.03835	4.1
191.03488	0.5
209.04633	0.5
329.08734	10.0
330.09024	1.3
343.95828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	7,3',4'-Trihydroxy-3,8-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01378	3.5
61.98833	0.7
67.01880	0.5
69.52702	2.7
76.87507	0.5
81.03462	0.6
83.01383	2.0
93.03444	4.7
107.01381	1.0
109.02930	0.7
111.00890	1.3
119.05026	2.5
123.00883	0.5
123.04490	1.1
136.98729	0.4
137.02438	1.2
138.03229	0.9
139.00403	0.5
141.01974	0.4
145.02953	0.6
149.02370	0.5
151.00294	0.5
153.01935	2.6
165.01930	4.7
166.02614	1.4
167.03520	3.7
171.04480	5.0
178.99812	1.9
179.03502	1.5
181.01401	1.7
181.03883	0.6
182.02148	1.0
183.02948	1.7
191.03537	0.6
193.01115	0.5
195.02904	0.8
199.03931	0.6
201.05487	0.7
207.02902	2.1
209.00929	3.7
213.05556	0.6
217.04965	0.7
226.07600	0.5
227.03218	0.6
229.05113	0.5
230.05841	1.8
235.02460	3.5
241.04997	3.7
241.09810	0.8
242.05685	0.5
243.02960	4.0
243.06641	1.0
244.03551	0.5
255.06702	0.5
257.08252	0.7
258.05246	2.3
259.06100	34.9
260.06375	2.0
269.04755	0.6
271.02505	0.8
273.07693	5.6
283.05859	0.7
285.07773	0.6
287.05606	9.9
288.06076	0.5
301.07144	1.3
311.05566	0.7
314.04236	1.7
329.06638	100.0
330.06989	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	329.0665
Annotation	6-C-Methylquercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01373	1.2
69.44429	0.6
69.44847	1.5
71.01382	1.3
83.01373	1.6
89.03966	0.5
98.20662	0.5
102.98602	0.3
108.02179	0.7
109.02948	28.7
110.03269	1.0
111.38192	0.3
115.01894	0.5
123.61563	0.3
133.02995	1.6
135.00911	0.5
145.03027	0.3
159.00867	2.3
161.02475	0.6
167.03453	0.8
175.03984	0.4
177.01923	9.4
178.02312	0.5
201.01927	3.4
202.99847	19.3
204.00157	1.0
213.14958	4.0
213.16861	0.6
219.02963	100.0
220.03282	5.1
314.04446	0.3
329.06607	13.6
329.23227	0.4
330.06793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95356	0.3
55.10617	0.3
56.23898	0.3
59.01383	2.2
61.98860	0.3
63.70239	0.3
65.00323	0.5
70.70480	0.6
70.70805	0.5
81.03452	0.6
83.01373	1.3
89.03954	0.4
99.72375	0.3
100.05903	0.3
108.02202	0.3
109.02950	19.2
110.03277	0.8
115.01862	0.5
123.04545	1.7
125.02437	0.7
125.06065	0.4
131.05011	1.6
133.02962	2.5
135.00868	0.4
149.32027	0.3
151.00313	0.4
156.94476	0.3
159.00839	2.2
159.04468	0.3
161.02538	0.6
167.03487	4.2
168.03481	0.3
175.03969	0.5
176.01115	0.3
177.01918	13.9
178.02301	0.9
182.02228	0.3
183.02992	0.4
191.03510	0.7
192.04181	0.3
201.01886	1.4
202.99840	11.4
203.01755	0.6
204.00153	0.5
219.02963	100.0
220.03275	6.1
270.98950	0.4
285.07605	2.1
287.05496	0.3
298.98419	0.5
314.00757	0.5
314.04086	0.6
329.06589	7.8
329.23431	1.6
330.06918	0.8
330.23593	0.4
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
54.57358	0.2
59.01369	0.9
69.03434	0.8
69.61319	1.6
71.01393	0.3
74.86636	0.2
75.00864	0.4
77.03954	0.8
81.03456	0.5
83.01382	1.4
83.05052	0.3
85.02948	0.5
91.24992	0.2
93.03426	0.4
95.01369	0.4
97.02948	0.6
98.20524	0.4
99.00886	1.1
109.02956	0.4
110.00089	1.2
111.00861	1.8
114.61272	0.2
121.02954	1.4
121.12959	0.3
123.00890	0.3
123.04552	0.4
137.02441	4.9
139.00398	2.2
139.03978	0.8
140.01155	0.7
141.01950	2.9
142.89418	0.3
153.01947	2.1
165.01913	6.5
165.99048	2.7
166.02434	0.3
166.36345	0.3
166.99835	1.5
167.01091	0.2
167.03426	0.3
181.01414	5.6
182.02194	100.0
183.02957	80.8
183.06300	0.5
184.03302	3.4
191.05536	0.3
194.02063	0.4
195.02956	1.2
207.02858	0.3
209.72742	0.2
225.04041	0.4
245.06723	0.5
329.08752	66.6
330.09082	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	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
61.98833	22.4
66.60398	1.0
69.03481	1.2
70.35612	3.4
71.01378	4.6
72.99299	1.4
77.03951	2.3
81.03438	1.4
81.48038	1.2
83.01387	7.0
85.02966	1.9
85.72935	1.2
87.00887	3.8
93.03438	1.4
93.21764	1.0
95.01380	1.7
97.02942	2.0
99.00900	6.6
105.01925	7.9
107.01372	3.0
108.02189	4.9
109.02950	1.5
110.84545	1.0
111.00876	3.3
113.02447	2.1
115.00372	2.5
121.02956	3.0
123.04531	11.7
125.02493	2.1
127.00375	1.4
137.02454	13.7
139.00369	1.6
139.04068	1.6
141.01956	24.4
142.96884	1.1
145.01430	12.3
149.02452	3.3
151.04019	3.4
152.01167	4.2
153.01901	6.3
163.63116	1.0
164.07265	1.2
165.01939	16.5
166.02512	1.1
166.99831	2.4
167.03497	24.0
167.90033	1.2
168.03911	1.0
171.45578	1.0
177.01884	1.5
178.99864	6.7
179.03578	2.0
181.01447	9.4
183.02988	100.0
184.03329	4.3
187.02527	2.2
193.01357	1.3
194.02130	1.1
195.03026	12.8
209.00909	66.6
210.01335	3.4
211.02473	18.0
222.01718	2.4
223.02478	25.6
227.01942	3.1
237.00439	1.4
239.01930	15.2
240.02567	2.3
241.03531	14.8
269.02975	2.3
281.03146	2.5
283.04626	1.3
299.03958	1.1
301.45395	1.3
311.04044	6.6
329.05139	34.6
329.08771	4.4
330.05640	2.6
345.09094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.04819	1.6
52.70778	1.4
59.01366	6.5
62.57687	1.6
64.38681	1.6
65.25161	1.5
75.24301	1.5
81.03495	1.5
82.50285	1.6
83.05034	3.2
83.61914	1.6
89.02428	2.5
91.03996	7.4
118.20493	1.7
184.01335	1.6
185.00731	3.6
235.20656	29.1
236.20947	2.2
240.69095	2.1
243.06586	2.2
253.21709	100.0
254.22063	8.2
327.18491	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	328.1187
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
59.01366	1.7
61.98820	0.7
71.52331	0.9
80.74770	0.5
83.01374	0.8
91.05524	1.0
93.03441	0.9
107.05021	1.4
109.02979	0.6
119.02248	0.6
121.02941	0.8
122.03743	3.0
123.04535	7.0
134.03743	19.4
135.04527	35.6
136.03952	1.4
136.04883	1.4
137.02402	1.0
147.04514	3.7
148.05299	42.2
149.04810	1.7
149.06035	9.4
150.03207	0.7
151.06348	0.9
152.07164	14.2
153.01973	1.0
160.01656	3.5
160.04034	1.1
161.02409	2.1
166.08676	1.1
167.03506	1.5
175.02565	0.7
175.04012	8.9
176.03453	1.8
177.04265	2.0
178.05083	37.0
179.05428	2.0
182.02005	1.7
183.02824	0.7
189.04419	0.9
190.03581	0.5
190.05080	14.1
191.05389	0.9
192.06659	1.6
199.04227	0.6
199.07977	0.6
209.00974	0.7
209.04488	1.4
229.05025	1.0
235.02377	1.0
259.06042	0.6
269.08102	0.9
313.09555	2.2
328.11865	100.0
329.06485	4.0
329.12180	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	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03074	0.5
57.03449	0.9
59.01378	40.9
65.00322	1.4
67.01926	0.8
68.99796	0.5
69.03458	1.1
70.55244	0.5
70.80183	1.0
70.80514	0.8
71.01386	4.2
77.03979	0.8
79.01900	0.7
81.03460	4.8
83.01385	9.3
85.02940	1.0
89.02417	0.6
93.03452	1.1
95.01375	1.8
95.05012	1.4
97.02950	1.5
99.00867	4.3
101.02432	1.4
102.98606	0.7
105.01916	2.2
107.01405	2.0
109.02955	1.0
111.00875	2.2
113.02453	1.9
115.00324	0.9
121.02956	2.2
123.00925	1.0
123.04522	28.7
124.04887	1.1
124.98834	0.6
125.02453	6.4
136.98813	0.8
137.02451	5.4
139.00400	0.9
139.04005	1.3
139.72458	0.6
141.01952	8.7
145.01402	2.6
146.03284	1.0
149.02426	1.9
151.00337	2.6
151.03984	1.1
153.01930	5.4
161.04541	1.3
163.03992	0.9
165.01912	7.6
166.02443	0.6
167.03487	100.0
168.03857	3.4
169.01363	0.8
178.99855	2.3
181.01392	4.6
182.02147	0.8
183.02969	30.2
184.03307	1.4
191.03450	0.7
193.01335	2.9
194.99287	0.7
195.02962	5.2
199.04378	0.6
208.99002	1.1
209.00906	15.5
209.04533	1.6
210.01381	1.3
211.02463	20.8
221.00922	1.7
223.02467	7.2
239.01990	11.9
240.02509	1.0
241.03529	4.6
269.02933	0.9
269.10291	1.7
301.05685	2.2
310.49429	0.6
311.04047	1.4
329.05118	15.0
329.08517	0.7
329.11752	0.9
330.05350	1.2
335.33749	0.6
352.63422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01377	1.3
61.98812	0.5
70.56261	1.0
85.13185	0.6
95.42678	0.5
97.06592	1.9
114.42588	0.5
140.11394	0.4
141.93266	0.5
145.09770	0.6
153.12843	1.5
155.14401	4.2
171.10358	0.6
183.01199	0.7
183.13902	5.2
199.13387	6.3
209.11967	0.6
211.13371	6.5
227.12833	2.0
229.14430	100.0
230.14777	5.8
291.19644	2.8
309.20700	7.5
327.16055	0.6
327.21744	5.7
327.26370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.8
59.01379	5.8
61.98831	1.6
63.23206	0.8
70.34093	3.1
78.76760	0.8
83.69375	0.9
97.06595	2.9
98.20012	1.1
111.08150	8.9
127.07652	1.2
129.09198	1.2
141.09277	0.8
169.12318	6.2
171.10326	1.5
175.90425	0.8
181.12332	2.4
185.11800	2.1
197.11829	44.7
198.12230	1.9
199.13387	7.2
209.11981	4.0
211.13397	4.3
227.12862	1.5
291.19617	2.9
309.20654	3.5
327.21753	100.0
328.22079	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03432	1.9
57.74057	0.6
62.08259	0.6
65.43793	0.6
69.03445	2.8
70.89702	1.5
72.05466	0.6
83.05016	1.3
85.02946	8.7
94.24968	0.7
95.04989	1.2
96.90675	0.6
97.06570	3.7
113.16513	0.7
125.09670	1.9
127.11309	1.9
137.09669	1.2
153.01897	1.0
155.14362	0.9
165.12888	0.9
166.60681	0.7
167.14381	1.0
171.10248	21.8
172.10507	0.7
181.01366	1.2
182.02229	0.7
183.02902	0.7
183.13882	3.9
185.11848	1.6
193.12289	1.3
201.11369	0.9
209.11794	1.6
211.11484	1.3
211.13377	18.7
212.13687	1.0
221.11794	2.9
229.14398	12.3
239.12904	1.9
291.19644	3.0
327.07227	2.1
327.21732	100.0
328.22086	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00594	1.4
59.01381	2.8
61.98820	0.4
65.54453	0.3
69.03466	0.5
69.60924	1.8
69.95228	0.3
71.01379	0.6
79.75029	0.3
97.06591	1.6
99.94687	0.3
109.06584	1.0
111.08151	7.5
127.07627	1.0
151.11220	0.4
153.09222	0.5
153.12842	1.2
169.12352	4.9
177.12865	0.5
179.10724	0.6
181.12296	2.0
183.13846	1.1
185.11807	1.2
193.12335	0.6
197.11819	41.9
198.12183	2.4
199.13382	7.5
200.13657	0.4
209.11778	1.0
211.13338	5.4
212.13631	0.4
221.11746	1.1
227.12875	1.2
229.14456	1.1
239.12885	0.9
263.20007	0.5
291.19601	2.5
297.63727	0.4
309.20740	2.6
327.21741	100.0
328.22110	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01374	0.8
69.31026	3.9
69.31447	2.1
71.01367	1.1
83.01384	1.1
93.03452	28.3
94.03799	1.2
96.99308	6.0
98.19968	1.4
102.98650	0.8
109.02899	1.0
115.00381	1.3
117.03460	3.7
119.05025	25.7
120.05390	1.0
121.02967	1.0
123.04513	2.6
126.81889	0.7
130.04288	1.7
131.05035	5.9
133.02966	5.2
135.67517	0.8
137.02419	1.2
143.05026	23.5
144.05437	1.3
145.02942	4.0
145.06641	1.4
146.24376	0.7
149.02545	0.8
153.01923	2.0
163.04001	13.6
164.04369	1.1
165.01907	1.3
171.04523	3.0
175.02473	1.6
177.01950	1.0
181.01459	2.3
182.02199	1.0
183.03001	2.9
195.03006	2.7
207.03015	0.7
211.07642	6.8
219.08073	1.0
221.09717	2.0
223.07744	1.5
235.07614	5.0
237.09178	7.7
265.08658	20.9
266.09045	1.1
283.09756	2.1
309.07675	5.5
327.08737	100.0
328.09036	9.5
338.14645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03445	0.7
59.01371	1.3
65.00330	2.7
69.03448	1.0
70.53591	0.9
71.01367	2.1
77.03992	0.7
79.01892	0.3
81.03467	2.3
83.01379	5.3
83.01836	0.5
85.02942	1.1
87.04512	1.7
93.03455	1.0
95.01395	0.9
97.02966	1.4
98.20033	0.3
99.00866	1.1
107.01384	0.3
109.02946	6.6
110.00136	0.4
111.00878	3.9
115.00359	0.9
119.05016	0.6
121.02939	2.1
123.00908	1.0
123.04548	0.5
125.02449	0.7
131.04935	0.3
135.00862	1.7
136.98802	6.3
137.02434	8.2
138.03268	0.6
139.00378	3.5
139.03979	1.1
139.24678	0.3
140.01112	0.7
141.01942	3.4
151.00339	0.3
151.03947	0.4
153.01926	64.7
154.02255	2.3
155.43159	0.3
163.04012	0.7
165.01898	6.2
165.99042	1.0
166.02699	3.3
166.99825	0.7
167.03497	2.4
177.02003	0.3
179.03505	0.9
181.01414	82.1
182.02185	39.6
183.02965	31.8
184.03326	1.3
191.03477	0.6
194.02151	0.6
195.02942	1.1
203.03445	0.4
207.02971	3.6
211.13351	0.4
223.02451	0.7
225.03995	1.1
237.04070	0.6
245.45747	0.3
249.03973	1.5
255.19614	0.7
267.05069	0.3
285.06219	1.0
309.05997	0.5
327.07181	100.0
328.07553	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0716
Annotation	Bergenin
Peak:m/z	Relative Intensity
51.73722	0.1
55.01890	0.2
57.03449	0.3
59.01370	0.7
65.00315	2.6
67.01895	0.5
68.99817	0.3
69.03451	1.1
69.72157	0.8
71.01379	1.9
71.23405	0.2
77.03960	0.9
79.01901	0.3
81.03452	2.6
83.01379	5.6
83.05035	0.2
85.02940	1.2
87.00896	0.2
93.03457	1.0
95.01385	1.2
95.05034	0.3
96.99320	0.3
97.02954	2.0
97.53902	0.2
98.19975	0.2
99.00891	1.2
108.02220	0.2
109.02943	6.7
110.00100	0.4
110.03282	0.4
111.00881	3.6
111.04533	0.5
121.02949	2.1
123.00889	1.3
123.04507	0.6
124.01677	0.2
125.02441	1.5
133.02870	0.2
135.00876	1.8
135.04549	0.3
136.97691	0.2
136.97923	0.1
136.98788	6.2
137.02434	8.0
137.99200	0.2
138.03214	0.6
139.00360	3.2
139.04005	0.9
140.01152	0.5
141.01938	3.0
142.02306	0.2
143.44371	0.2
149.02480	0.2
151.03935	0.4
152.01257	0.2
153.01927	65.8
154.02255	2.5
155.03488	0.3
161.02464	0.2
163.00438	0.2
163.04044	0.5
164.98248	0.2
165.01926	6.9
165.99080	0.8
166.02715	4.0
166.99808	0.9
167.03479	2.6
175.04039	0.2
177.01964	0.6
179.03494	1.0
181.01418	84.5
182.02187	41.6
183.02963	33.1
184.03357	1.2
189.01968	0.3
191.03413	0.2
193.01476	0.2
193.05020	0.3
194.02177	0.7
195.03011	0.9
196.03392	0.2
201.18727	0.1
203.03477	0.4
204.33028	0.1
205.01251	0.2
205.05151	0.2
206.02202	0.3
207.02986	3.3
208.03456	0.2
217.05086	0.2
219.02873	0.4
221.04546	0.6
223.02399	0.4
225.04016	1.6
237.04149	0.2
249.04018	1.9
267.05130	0.5
285.06158	1.3
309.06134	0.7
327.07184	100.0
328.07504	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	1.2
71.01377	7.8
71.50532	0.9
73.02958	2.1
83.01397	1.2
85.02973	2.8
89.02457	2.9
99.00883	1.3
101.02433	5.5
102.33791	0.6
108.04002	0.6
109.02989	0.9
113.02486	3.0
117.03436	3.3
119.05024	67.5
120.05322	3.0
121.62835	0.6
125.02460	1.9
134.04726	18.9
143.03566	0.8
145.02953	14.5
146.03256	0.9
157.87563	0.7
159.03021	0.8
159.04486	0.7
161.04567	6.6
161.05946	1.1
163.04004	52.2
164.04343	3.0
187.04022	3.3
205.05017	1.1
265.12921	18.6
265.15622	1.1
266.13147	1.5
289.07236	3.0
325.09409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22386	0.3
66.00587	0.3
71.13664	0.7
78.82588	0.3
79.95763	1.3
119.05029	1.0
128.38783	0.3
170.00444	1.6
179.39665	0.3
183.01195	52.8
184.01837	4.1
197.02763	2.9
198.03557	0.5
211.04201	0.5
216.00998	1.0
225.05919	1.0
239.07426	0.9
261.22131	0.5
325.18393	100.0
326.18719	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17681	0.3
56.55659	0.3
59.01379	6.5
69.42094	1.7
69.42522	1.1
70.31933	0.3
71.01377	2.5
85.02955	0.9
89.02431	2.4
98.20675	0.7
101.02434	1.0
107.00008	0.3
113.02453	0.9
117.03458	23.1
118.03790	0.7
119.03558	0.4
119.05013	5.3
120.05305	0.4
125.29870	0.4
127.28254	0.4
133.06627	0.5
140.37198	0.4
145.02951	100.0
146.03275	5.3
159.04510	0.8
161.06102	1.4
163.04007	7.8
187.04016	3.7
205.05045	1.5
235.06071	0.3
265.07150	1.8
325.09277	6.6
326.09460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
69.50540	2.0
69.50892	0.3
71.01376	2.7
85.02940	0.4
89.02434	2.5
98.20795	0.3
101.02441	1.1
113.02451	0.7
117.03463	19.0
118.03802	1.1
119.03484	0.9
119.05010	5.2
133.06627	0.5
145.02948	100.0
146.03290	4.2
159.04466	0.7
160.46609	0.3
161.06090	1.3
163.04002	8.0
164.04305	0.5
183.87904	0.3
187.03970	3.8
193.12715	0.3
198.36467	0.3
205.04987	1.6
218.55804	0.3
264.58536	0.3
265.07092	1.6
265.21503	0.3
272.53970	0.3
285.24570	0.3
325.09271	5.7
326.10172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44811	0.5
59.01377	4.9
69.50550	3.0
69.50883	0.5
71.01383	2.4
89.02445	1.5
98.19901	0.6
101.02428	0.5
113.02473	0.7
117.03466	16.1
119.03578	0.6
119.05022	4.1
133.06546	0.4
133.17607	0.4
142.00108	0.4
145.02951	100.0
146.03308	4.2
161.06137	1.1
163.04013	8.2
187.04001	4.2
205.05072	2.0
265.07114	2.0
325.09186	6.8
328.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1291
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
50.64226	0.5
57.03442	3.3
59.01395	2.3
67.01900	1.1
69.32558	0.4
70.33104	0.9
70.33498	1.1
71.01375	0.9
83.01379	13.0
85.02937	4.9
87.14115	0.4
92.38760	0.5
93.03466	1.3
97.06561	0.8
102.05589	1.1
107.04992	1.2
109.02937	0.9
109.06585	1.1
117.03441	2.9
119.05011	2.0
121.02969	0.6
121.06587	1.5
123.04475	0.7
130.89984	0.6
133.06573	2.3
135.04530	1.0
137.02446	0.7
139.67828	0.5
145.02946	11.0
148.05243	0.6
149.06050	2.0
150.06853	2.6
151.04042	0.5
153.01935	2.4
159.04553	0.7
161.02449	1.7
163.03990	2.2
163.07651	1.2
165.09189	2.1
166.06302	0.5
173.06125	0.5
174.06921	0.6
175.07684	0.6
177.05557	0.9
181.05045	0.7
181.08752	0.6
187.04008	1.3
189.05522	0.7
191.07167	0.5
194.05782	0.6
197.11823	14.7
203.03484	1.0
206.09477	0.7
209.04723	0.6
213.11272	2.3
215.12903	1.1
215.17415	0.5
217.04980	1.0
218.05856	1.3
221.11719	0.8
233.08057	0.6
237.11368	1.1
237.20483	0.7
239.12904	1.4
241.10771	0.5
263.12857	2.5
265.10699	1.0
269.13889	0.8
278.07874	3.9
279.12326	1.7
280.17459	0.4
281.19489	0.6
283.11868	1.7
293.10385	1.4
307.12082	0.6
325.12885	100.0
326.13229	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	324.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61351	0.8
59.01359	3.1
61.98828	100.0
71.51748	1.3
74.93523	0.9
125.79520	1.1
134.03165	1.0
135.04497	2.8
145.02985	1.1
154.06378	1.0
161.02422	1.0
162.00969	0.9
179.03444	2.1
195.13895	3.3
222.22008	1.0
239.12888	1.1
261.11395	7.3
288.15878	1.1
325.18253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59692	5.3
59.01377	37.1
71.01376	36.8
71.24998	15.1
72.99305	6.0
76.27645	5.1
85.02928	6.5
87.00876	13.2
89.02446	13.5
101.02419	15.2
103.80755	5.2
110.55276	5.1
113.02443	7.8
115.00372	45.7
119.03486	13.4
119.64809	5.5
133.01428	100.0
133.05080	49.1
145.06149	6.3
175.02496	25.0
252.52693	6.3
325.11365	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14751	5.7
57.58668	4.8
59.01377	26.9
65.31873	4.3
66.85658	4.7
69.37204	37.4
71.01373	22.5
72.99306	9.6
73.02964	4.4
78.95906	5.6
85.02957	7.2
87.00874	7.2
89.02443	13.4
101.02448	10.4
102.16972	4.4
107.57154	4.9
113.02459	9.4
115.00372	43.2
119.03548	5.8
119.05063	23.2
133.01434	100.0
133.05070	35.9
134.04709	13.3
136.15742	4.4
145.06186	9.7
163.03993	18.8
173.05835	4.9
189.03511	4.5
302.00378	4.9
325.11346	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.5
71.01389	2.4
72.13242	0.5
79.32311	0.5
85.02926	0.6
89.02441	2.2
96.39008	0.5
98.20666	1.1
101.02444	1.4
109.02966	0.7
113.02451	1.2
115.62815	0.5
117.03458	17.1
118.03848	0.6
119.05021	32.2
120.05359	1.1
123.04586	0.6
133.06584	0.6
145.02950	100.0
146.03281	3.5
158.91365	0.5
159.04564	0.8
161.06084	1.6
163.04007	34.6
164.04391	1.5
169.55434	0.5
187.03996	3.1
205.05000	1.7
206.88176	0.5
245.08054	0.6
265.07178	1.4
289.07257	2.4
325.09290	5.4
326.09552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10223	0.5
51.39145	0.6
59.01371	2.9
61.98830	0.9
64.46419	0.6
91.05531	5.1
92.05054	4.9
96.36340	0.5
106.37183	0.6
116.05055	1.4
118.06616	3.2
120.08220	0.7
130.06598	2.3
135.04543	1.6
144.08160	4.8
146.09776	1.7
147.04514	16.2
148.04857	0.9
156.08128	1.4
158.09738	25.8
159.10071	1.2
162.09357	0.6
162.12851	1.2
172.11345	5.0
174.12868	100.0
175.13214	6.5
186.12851	0.7
193.14314	1.0
278.19110	14.6
279.19528	2.0
322.18094	16.6
323.18399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64594	0.9
59.01377	16.4
71.01378	7.5
71.51475	1.4
72.99312	0.9
73.02945	43.8
77.54503	0.9
78.95914	2.6
85.02958	1.3
89.02454	8.1
93.03473	1.1
95.01411	0.9
96.96935	2.9
98.70243	0.8
99.00858	4.9
101.02448	6.4
113.02441	3.8
117.01937	100.0
118.02297	2.2
119.03475	4.4
131.03508	0.9
161.04518	2.3
175.04128	1.1
195.38217	0.9
265.16901	0.9
287.49411	1.0
323.13437	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	323.1247
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.45934	0.8
58.00583	2.4
59.01378	44.9
64.04610	0.7
67.22878	0.8
69.71922	1.5
69.72339	2.7
71.01381	10.3
72.99297	2.9
82.33189	1.0
83.01402	1.1
85.02950	0.9
85.73567	0.9
89.02438	8.1
97.06590	1.2
101.02445	7.1
102.05590	2.6
119.03513	1.6
121.02927	0.8
125.02434	1.1
133.02983	1.0
144.81844	0.8
145.07706	1.3
156.99979	0.9
160.06403	13.8
161.02457	2.3
161.07199	63.1
162.05591	1.9
162.07504	2.8
175.08757	43.2
176.09093	2.1
187.08832	0.8
189.06683	100.0
190.07089	3.9
200.99574	0.9
201.10368	1.2
203.08249	37.0
204.08549	2.4
247.25191	0.9
252.98889	0.9
280.19232	1.5
305.11267	1.7
323.08527	1.5
323.12463	35.8
324.12799	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	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03444	1.6
58.00589	3.6
58.58941	0.6
59.01375	85.6
60.01708	0.6
69.77832	2.9
69.78203	1.3
71.01376	42.1
72.01730	0.7
72.99311	2.3
73.02939	1.6
83.01389	2.1
85.02941	8.9
87.00883	1.8
89.02438	48.1
93.04710	0.6
95.01391	3.2
98.19948	0.6
98.21197	0.7
101.02432	28.9
105.19834	0.6
113.02450	15.3
114.97222	0.8
117.01919	1.7
119.03491	23.7
128.73344	0.6
130.61678	0.6
131.03485	1.8
143.03511	2.4
149.04562	2.2
161.04570	2.5
172.36760	0.6
179.05592	2.6
203.00742	0.6
203.03523	1.0
323.13425	100.0
324.13776	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.2
58.00582	3.9
58.87460	1.0
59.01377	94.1
69.78639	5.6
71.01379	43.7
71.01781	1.9
72.99285	3.3
73.02940	2.0
83.01385	3.3
85.02946	9.3
87.00880	1.7
89.02442	52.0
95.01357	4.0
98.19952	1.4
101.01382	1.2
101.02439	27.8
113.02453	18.3
114.01959	3.1
119.03492	23.1
131.03467	2.1
143.03485	1.7
174.04028	1.1
179.05618	2.9
185.84152	1.0
234.80791	1.0
323.13446	100.0
324.13721	7.1
333.51215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.41619	0.7
69.66371	4.2
71.01378	1.1
74.87975	0.6
74.91155	0.7
93.97636	0.8
98.19876	1.1
99.04513	40.3
101.02473	1.0
125.02444	0.7
142.86575	0.7
153.01952	0.8
153.83002	0.7
161.04616	1.1
168.65633	0.6
245.09421	0.8
261.09937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.9
71.01366	2.4
89.02430	3.7
95.31731	0.4
100.86208	0.3
101.02460	1.2
105.03951	0.4
113.02474	1.0
119.03515	1.6
125.74068	0.4
154.10548	0.4
173.23013	0.4
179.05591	0.6
182.02263	0.5
209.79169	0.4
229.43143	0.6
288.25809	0.4
313.08670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1129
Annotation	Kanzonol D
Peak:m/z	Relative Intensity
59.01373	10.1
62.38424	0.9
71.53125	1.3
76.60744	0.9
78.95920	4.8
79.95728	1.7
80.96504	7.7
91.22326	0.8
130.66125	1.0
206.63670	1.0
213.94566	1.1
254.05881	1.9
267.06458	1.5
277.08652	1.4
279.06686	1.6
291.06607	70.4
292.07114	8.7
303.10309	1.3
305.08112	3.1
306.09012	1.0
319.09915	1.1
321.11292	100.0
321.21393	3.0
322.11581	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	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57901	0.6
59.01374	17.3
60.42821	0.7
67.01895	0.7
69.07188	0.6
69.51971	3.6
69.68315	0.6
71.01372	6.0
72.99302	1.1
73.02921	0.7
83.01389	1.7
85.02940	5.7
87.00874	14.6
87.01376	1.2
93.03433	0.9
98.19900	1.3
113.02435	1.1
115.00380	22.2
116.43179	0.6
119.05027	85.5
120.05372	3.2
120.99661	0.8
121.02998	0.6
129.01976	0.7
133.06577	2.2
135.04568	1.0
145.02998	1.3
154.50732	0.6
157.01422	5.3
161.06073	2.3
163.04007	100.0
164.04379	3.4
175.02466	82.5
176.02785	2.4
181.71555	0.6
205.05034	1.2
321.06055	5.0
321.13629	0.8
322.06519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0612
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
55.11702	9.9
59.01375	77.4
61.98833	12.4
69.39351	27.4
69.39772	50.6
71.01379	11.5
71.86135	10.1
81.03484	10.5
85.02943	33.5
85.53360	11.7
85.53860	11.5
87.00851	10.8
98.20679	21.1
109.02953	98.5
111.00854	44.2
112.87567	11.1
120.99645	11.4
121.02879	20.1
123.04482	21.1
123.16048	10.0
125.02455	58.8
137.02409	17.8
139.00365	23.5
141.01904	16.7
149.02420	58.0
151.03970	13.6
153.01938	100.0
165.01976	13.8
175.04004	15.5
177.01967	13.3
179.91934	10.6
205.04982	12.8
213.05519	12.6
217.05043	34.0
233.08380	15.7
257.04605	12.8
259.06259	15.4
303.04868	15.6
321.06061	48.6
321.09952	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	321.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09335	0.1
54.70719	0.2
57.03439	0.8
59.01375	2.7
61.98819	0.4
67.01879	0.2
68.99818	0.2
69.15778	1.3
69.16181	0.3
71.01376	4.1
72.99300	0.6
73.02946	0.3
75.00854	0.2
80.50591	0.2
83.01381	0.4
83.19659	0.1
85.02946	6.3
87.00876	1.0
89.02447	0.2
91.32566	0.1
95.01395	1.3
98.02497	0.2
99.00896	0.8
99.38010	0.1
100.32616	0.1
103.00394	0.9
111.00896	0.2
113.02441	7.2
115.00372	1.0
115.18504	0.1
116.40836	0.2
117.03457	16.8
118.03775	0.6
119.05019	3.8
120.05391	0.2
120.79303	0.2
121.02950	0.3
122.81873	0.2
129.01974	0.3
130.79826	0.1
131.05014	0.2
132.34923	0.1
133.06587	0.2
139.00284	0.2
145.02943	100.0
146.03278	4.3
147.04495	0.7
150.16840	0.2
159.04533	0.5
161.06096	0.4
163.03998	2.4
173.06125	0.2
175.02455	1.5
175.03973	0.4
182.04546	0.6
185.06082	0.2
187.03957	1.0
201.05534	0.3
203.03474	2.0
204.03667	0.2
205.05106	0.2
225.78584	0.2
229.05032	2.1
244.65976	0.2
261.04047	0.7
321.06110	11.3
322.06628	0.8
322.12933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67194	0.2
57.03452	0.8
59.01380	3.3
69.25569	1.7
71.01376	3.7
72.99322	0.5
73.02962	0.2
75.00895	0.3
83.01424	0.2
85.02944	6.6
87.00864	0.9
95.01372	1.5
97.00372	0.2
99.00880	0.6
101.02480	0.2
103.00388	0.6
105.21294	0.2
111.00939	0.2
113.02449	6.6
115.00365	0.8
117.03460	17.9
118.03760	0.5
119.05014	4.0
119.05818	0.3
129.01929	0.2
133.06561	0.3
134.21504	0.2
139.00401	0.2
145.02946	100.0
146.03294	5.0
147.04498	0.4
157.01384	0.3
159.04556	0.4
163.04025	2.5
166.32742	0.2
175.02480	1.5
175.03960	0.5
187.03993	1.0
201.05487	0.2
203.03468	1.7
229.05045	1.4
249.76517	0.2
261.03967	0.3
321.06119	12.5
322.06366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86496	1.3
55.01871	1.7
59.01375	12.7
68.99817	6.7
71.01383	10.2
80.54340	1.3
83.01377	18.9
83.01842	2.0
85.02961	2.8
87.00862	7.4
89.02428	2.3
93.03458	18.0
96.99311	2.6
98.20684	4.6
99.00880	3.0
101.02424	2.1
107.05026	1.4
109.02928	2.0
111.00887	5.2
113.02429	2.7
115.00379	12.6
116.03393	1.3
117.03465	6.8
119.05026	29.5
120.05369	1.2
120.99613	1.4
121.02962	1.8
123.04457	1.7
125.02428	1.3
125.03513	1.4
127.00354	9.7
127.05096	1.4
128.03551	3.1
131.05032	2.8
133.02974	2.5
133.06593	13.4
135.04488	2.4
139.00371	9.3
143.05046	2.8
145.02934	11.2
145.06587	4.2
147.04523	22.4
149.06070	19.7
157.01434	15.2
157.06538	3.4
159.04539	5.0
161.02452	3.6
161.06067	11.3
163.04028	5.6
165.05565	7.4
165.36665	1.3
171.04507	3.2
173.06100	6.8
175.02501	20.9
175.03941	3.0
175.07663	2.6
177.05583	32.8
178.05916	1.3
184.05112	1.4
185.06071	5.1
187.03984	1.8
187.07654	1.8
189.05539	4.7
189.09418	1.5
191.03487	1.3
193.05045	7.7
201.05611	2.1
203.03700	1.7
203.07147	19.1
204.07430	1.6
205.05087	1.9
215.07085	3.6
217.05023	14.2
221.04538	100.0
222.04832	6.5
229.04976	4.5
231.06537	1.6
233.08139	2.4
259.06201	1.4
261.04031	29.8
262.04388	2.6
277.07193	5.6
288.24368	1.1
291.05130	10.2
291.07877	1.6
303.05035	4.5
321.06107	13.9
321.09805	1.9
321.15521	5.6
322.12799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86496	1.3
55.01871	1.7
59.01375	12.7
68.99817	6.7
71.01383	10.2
80.54340	1.3
83.01377	18.9
83.01842	2.0
85.02961	2.8
87.00862	7.4
89.02428	2.3
93.03458	18.0
96.99311	2.6
98.20684	4.6
99.00880	3.0
101.02424	2.1
107.05026	1.4
109.02928	2.0
111.00887	5.2
113.02429	2.7
115.00379	12.6
116.03393	1.3
117.03465	6.8
119.05026	29.5
120.05369	1.2
120.99613	1.4
121.02962	1.8
123.04457	1.7
125.02428	1.3
125.03513	1.4
127.00354	9.7
127.05096	1.4
128.03551	3.1
131.05032	2.8
133.02974	2.5
133.06593	13.4
135.04488	2.4
139.00371	9.3
143.05046	2.8
145.02934	11.2
145.06587	4.2
147.04523	22.4
149.06070	19.7
157.01434	15.2
157.06538	3.4
159.04539	5.0
161.02452	3.6
161.06067	11.3
163.04028	5.6
165.05565	7.4
165.36665	1.3
171.04507	3.2
173.06100	6.8
175.02501	20.9
175.03941	3.0
175.07663	2.6
177.05583	32.8
178.05916	1.3
184.05112	1.4
185.06071	5.1
187.03984	1.8
187.07654	1.8
189.05539	4.7
189.09418	1.5
191.03487	1.3
193.05045	7.7
201.05611	2.1
203.03700	1.7
203.07147	19.1
204.07430	1.6
205.05087	1.9
215.07085	3.6
217.05023	14.2
221.04538	100.0
222.04832	6.5
229.04976	4.5
231.06537	1.6
233.08139	2.4
259.06201	1.4
261.04031	29.8
262.04388	2.6
277.07193	5.6
288.24368	1.1
291.05130	10.2
291.07877	1.6
303.05035	4.5
321.06107	13.9
321.09805	1.9
321.15521	5.6
322.12799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.7
67.83198	2.0
69.81381	1.8
69.99603	9.4
71.01381	36.7
71.05017	7.5
72.99297	16.0
73.02937	6.7
75.00870	48.4
83.01389	5.2
83.05023	5.6
85.02954	8.6
87.00883	19.5
89.02446	17.5
93.03447	21.9
95.05051	14.8
97.02969	19.3
97.04053	1.8
97.06615	5.6
98.20660	2.3
99.00900	11.3
99.04488	4.0
101.02470	3.1
107.04976	3.0
107.61662	2.6
109.02941	20.0
109.04050	2.1
111.04516	15.2
112.98838	3.7
113.02431	4.1
113.03591	4.1
113.06065	5.3
115.00370	40.7
115.03969	4.4
115.89143	2.2
117.01918	11.5
117.03513	2.7
119.05038	36.5
121.02974	3.7
121.06612	2.8
122.03752	2.3
123.04517	7.2
125.03568	22.9
125.06088	6.2
127.05132	35.3
128.03535	64.8
129.01933	3.3
135.02995	100.0
136.03284	2.0
137.02434	12.4
137.06094	7.8
139.00371	4.1
139.04004	44.3
139.07693	1.9
141.05580	7.6
142.99829	17.4
145.02962	7.7
145.06129	2.2
151.03979	19.9
153.01924	18.5
155.03502	14.4
157.06129	5.3
159.07770	5.9
161.02454	2.1
163.04005	35.8
165.01906	7.5
165.05539	12.4
167.03456	3.0
169.05034	17.8
173.00948	4.3
175.02463	63.9
179.03473	3.9
179.09769	2.3
183.02966	71.3
183.06561	10.6
187.06009	2.9
193.01416	3.7
195.06631	2.2
201.73116	2.4
210.08778	8.2
225.07690	6.1
227.05603	8.3
242.11354	3.1
244.90393	1.8
286.10339	7.1
319.07214	2.6
320.09149	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	320.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78336	0.9
59.01382	6.3
61.98827	100.0
70.67530	2.4
71.01381	2.8
73.02949	1.3
74.17728	0.9
99.00809	0.8
101.02434	0.9
111.57504	0.8
125.02450	2.0
125.03524	1.7
127.05096	2.8
128.03537	11.3
137.02354	0.8
153.01917	3.0
157.06187	1.2
164.07205	1.1
165.01884	1.0
189.05676	0.9
195.11324	2.1
205.95511	0.9
213.12450	7.8
213.41093	0.9
234.04944	0.9
239.10280	1.6
257.11401	5.8
286.10254	1.0
303.05176	1.0
321.11777	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	320.15
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
53.86390	0.5
59.01379	4.5
61.98838	0.5
71.01376	0.7
71.39813	0.6
71.40126	0.6
84.30486	0.5
85.02952	0.8
87.48534	0.5
97.06569	0.5
119.07367	1.3
119.62107	0.5
132.08141	0.7
134.09755	44.1
135.10065	1.9
148.11330	0.7
161.08446	0.6
175.10002	1.4
190.12364	100.0
191.12695	6.6
202.12379	0.9
214.15974	0.5
232.16978	3.2
258.14954	0.8
276.16028	24.5
277.16385	2.2
283.02448	0.5
302.13916	3.4
320.15005	22.1
321.15506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0614
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.80304	0.8
56.81841	0.8
57.03445	3.4
59.01376	4.6
61.01524	0.7
62.07104	0.7
64.77200	0.7
65.00325	3.5
67.01900	1.3
68.99824	2.4
69.03439	0.9
71.01394	1.2
71.50249	1.2
78.95906	1.7
81.03468	1.1
83.01387	10.6
85.02972	2.3
87.00877	1.3
88.98787	1.6
89.02454	0.9
90.46375	0.8
91.60962	0.8
93.03455	1.7
95.01388	1.0
97.02972	1.2
99.00893	1.5
104.92762	0.8
107.01391	3.7
109.02978	4.1
110.32140	0.8
111.00858	1.8
113.02448	1.6
121.02936	1.7
123.00888	4.1
124.01681	3.7
125.02446	21.2
125.03446	1.5
126.02856	1.0
126.03918	1.1
127.05110	1.9
128.03522	6.0
129.03867	3.3
137.02443	1.7
139.03993	4.2
147.06653	1.9
151.00345	15.2
153.01930	100.0
154.02263	3.7
165.01900	1.8
167.03482	26.1
168.03831	0.9
177.01964	2.1
183.03027	2.6
185.83034	0.8
195.02943	1.6
321.06104	2.2
321.09348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01377	12.0
61.98802	0.8
64.35573	0.5
71.01376	12.6
71.52437	0.8
72.99313	1.4
73.02982	0.6
85.02937	2.2
87.00877	20.4
92.33990	0.6
93.03477	0.7
99.00898	0.8
101.02428	0.6
105.03521	0.5
111.00799	0.5
112.98823	1.1
113.02441	0.8
115.00370	40.0
116.00762	0.7
117.03428	0.6
119.05023	24.6
120.05379	1.3
120.99638	0.6
121.01783	0.5
127.00292	0.6
157.01427	1.2
161.06076	1.1
163.04004	28.8
164.04356	2.1
175.02475	100.0
176.02805	3.1
182.02199	1.1
196.66791	0.5
205.05116	1.1
215.17761	0.5
253.23489	0.6
256.55212	0.5
321.06015	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	319.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.9
59.01389	0.7
65.00319	1.3
65.63570	0.4
67.01860	0.5
70.29360	1.7
70.99123	0.4
77.03990	0.4
81.03437	0.8
83.01376	3.9
89.02421	0.5
93.03452	1.9
95.01365	0.8
97.02954	1.5
98.19955	0.5
107.01382	2.0
108.02177	0.6
109.02955	3.8
117.03457	0.4
120.02119	1.0
121.02940	3.1
123.00912	1.8
124.01694	1.1
125.02441	100.0
126.02802	3.6
133.02950	1.8
137.02441	8.5
139.04012	2.2
147.00876	2.0
147.04492	0.5
149.02379	0.9
151.00349	5.3
152.01112	0.6
153.01962	3.8
155.03491	0.6
159.04526	1.3
161.02435	16.4
162.03214	1.0
163.00375	1.1
164.01141	13.8
165.01929	21.8
166.02557	1.1
167.03485	3.2
173.06047	0.8
175.00363	8.3
175.04018	0.5
175.48259	0.4
176.01003	1.0
177.01917	1.1
177.05577	0.7
178.99829	5.7
181.01413	1.0
185.02431	0.6
191.03497	6.5
193.01408	41.7
194.01781	1.3
197.04517	9.8
197.06174	0.6
198.04836	0.7
199.04085	0.5
199.14650	0.4
201.05598	0.8
203.03467	0.6
213.05565	0.6
215.03532	3.3
215.07208	0.5
215.33868	0.5
217.04909	0.5
229.04993	0.4
233.04555	1.4
242.02419	0.6
243.06723	0.6
245.04613	0.6
257.04501	3.0
269.04468	0.7
283.02594	0.5
287.05524	5.0
288.06100	0.7
301.03534	4.2
305.02039	0.7
319.04889	0.6
319.08279	2.4
319.14108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0819
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01374	3.3
65.03954	1.8
71.01382	3.1
71.52377	1.0
73.02950	1.9
80.76556	0.5
81.03451	2.8
83.01396	1.5
83.05025	5.3
85.02952	0.6
89.02438	0.9
89.64771	0.5
93.03458	33.8
94.03822	0.6
94.39568	0.5
99.00886	1.5
99.04536	0.7
101.02461	1.2
109.02963	0.7
111.04519	10.9
111.06686	0.5
112.98804	3.0
113.02428	0.6
117.03466	6.9
119.05025	100.0
120.05363	3.7
121.02916	0.7
122.66264	0.5
124.98817	1.0
125.02462	1.5
127.02985	0.5
133.06636	0.6
134.54636	0.6
137.02438	26.6
138.02737	0.7
138.23433	0.6
142.99855	7.4
145.01479	1.4
145.02956	22.6
146.03311	1.2
155.00021	0.6
155.03496	24.0
156.03825	1.0
161.06105	1.3
163.04007	98.9
164.04326	3.9
165.23405	0.5
167.23454	0.5
167.25092	0.5
173.00900	4.6
173.04572	0.9
189.05563	8.7
189.09531	0.9
201.05647	0.7
203.07166	0.7
205.04971	0.7
213.36018	0.6
231.06577	4.7
275.05667	1.5
275.09009	0.9
312.00137	0.6
319.08231	27.0
319.17917	0.8
319.20892	2.6
320.08560	1.9
335.94598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0821
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01373	9.7
69.03455	1.4
71.01380	8.5
71.51534	1.1
72.02535	1.1
72.99316	1.5
73.02943	3.0
74.02480	1.6
75.00864	4.9
79.59885	1.1
80.21914	1.0
81.03456	2.9
83.01353	2.0
83.05026	7.4
84.00936	1.2
85.02946	2.5
87.00871	1.8
89.02425	4.2
93.03455	42.7
93.72075	1.1
95.05020	3.0
97.02965	2.9
97.04050	1.8
99.00874	2.3
100.31664	1.3
101.02467	1.4
109.02942	4.2
109.04081	1.7
111.04514	17.6
112.04888	1.3
113.02448	2.7
113.03572	1.8
115.00375	3.0
117.01936	1.3
117.03477	6.2
119.05023	96.6
120.05350	4.3
121.02941	2.2
123.04518	1.7
125.02518	1.6
125.03559	16.5
127.05131	27.4
128.03542	42.4
135.02988	9.6
137.02441	30.3
139.03984	5.8
139.04955	1.2
140.03235	1.1
142.99864	2.5
145.02963	19.2
151.03989	2.1
153.01878	1.3
155.03496	29.2
157.06195	4.2
159.07622	2.2
161.05937	1.2
163.04004	100.0
164.04390	5.5
165.01933	1.7
169.05017	2.1
173.04555	2.1
175.02422	7.4
183.03021	7.7
193.01453	1.4
210.08878	8.0
286.10370	6.4
319.04562	0.9
319.08182	18.4
320.09198	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	319.0459
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
57.03446	17.6
63.02393	1.1
65.00320	2.3
70.97017	1.2
72.19570	0.6
77.03962	0.6
81.03450	1.2
83.01373	6.5
93.03465	2.2
95.01408	1.5
97.02917	1.0
105.02486	0.6
107.01393	4.2
109.02949	5.1
119.01381	1.3
121.02928	4.3
123.00893	2.3
123.04516	0.6
124.01701	3.0
125.02439	85.6
126.02765	2.4
132.34485	0.6
133.02901	1.0
137.02435	9.6
138.00679	0.6
138.03210	0.8
139.03975	4.5
145.02953	1.2
147.00864	5.1
151.00356	11.7
152.01126	2.2
153.01910	7.6
155.03500	0.8
159.04509	1.7
161.02419	9.2
161.06087	0.9
163.00293	0.8
164.01138	6.5
165.01915	18.4
166.02455	1.1
167.03493	7.4
169.01361	0.7
175.00349	24.2
176.00847	1.5
177.01790	0.8
178.99825	12.4
180.00246	1.0
181.01389	2.1
185.02391	1.2
187.04005	2.0
190.02635	1.8
191.03485	14.4
193.01401	100.0
194.01749	5.2
197.04503	3.7
201.05499	0.8
205.05003	1.4
213.05482	1.0
215.03505	8.0
229.05077	1.2
233.04555	2.5
247.92651	0.7
257.04492	9.6
258.04736	0.8
283.02405	1.3
287.05603	2.2
291.04990	1.0
301.03531	10.6
319.04471	1.2
319.13898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.2
59.01366	1.9
62.78090	0.4
62.94459	0.4
63.02405	2.1
65.00325	2.5
66.76559	0.4
69.39444	3.6
71.01393	1.1
81.03436	0.8
83.01384	5.7
85.02947	0.8
86.05690	0.4
89.02433	0.7
92.15221	0.4
93.03452	1.6
95.01377	1.2
95.05030	0.5
97.02947	0.7
107.01388	3.2
107.05012	0.5
108.57880	0.5
109.02955	5.4
111.00898	0.6
119.01377	1.0
119.04999	1.2
121.02958	2.6
123.00883	3.1
124.01666	2.3
125.02441	55.6
126.02789	2.1
127.05117	1.7
128.03546	3.4
129.07191	0.5
131.05089	0.5
132.04504	0.5
133.06609	0.6
135.04524	1.6
137.02428	8.7
139.03995	5.0
142.74687	0.4
143.04958	0.5
145.02953	1.7
147.00854	5.0
147.04564	0.8
149.02391	0.6
150.99191	0.9
151.00359	13.6
151.03925	0.5
152.01164	2.6
153.00732	0.7
153.01923	9.1
155.03476	1.5
157.06328	0.5
159.04552	1.1
161.05963	0.5
163.03983	1.3
165.01917	10.9
166.02696	2.3
167.03497	8.5
169.01396	0.9
173.02408	0.6
173.06036	0.6
175.00360	23.3
176.00993	1.8
177.01753	0.9
178.98267	0.6
178.99844	12.7
181.01392	1.8
183.02946	1.6
185.02431	0.8
185.05997	0.5
187.03946	1.5
189.05396	0.5
189.09547	0.5
190.02705	1.0
191.03481	14.5
192.03850	0.6
193.01399	100.0
194.01729	4.7
201.05560	0.6
205.04987	2.4
209.04654	0.4
213.01935	0.6
213.05563	0.6
215.03490	9.0
216.03889	0.8
217.01155	0.6
229.05025	1.2
233.04539	3.1
257.04562	8.0
258.04782	0.6
275.05637	0.6
283.02557	1.2
291.05038	1.0
301.03488	9.9
302.03891	1.0
309.08313	0.5
319.04065	1.9
320.09174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
58.75130	0.6
59.01371	2.1
59.53899	0.7
65.36271	0.6
69.17892	3.2
69.18321	2.7
71.01369	1.7
71.05014	7.8
75.00860	1.0
83.01386	1.0
83.05009	0.6
85.02982	0.8
89.02454	1.6
89.52054	0.6
93.03453	2.3
95.05021	16.0
96.05376	0.6
97.02943	25.2
98.03217	0.7
101.02427	0.8
109.02945	15.4
110.03318	0.6
111.04518	0.8
113.58775	0.6
115.00339	0.6
115.03992	4.1
117.94666	0.5
119.05026	1.8
121.02959	0.7
125.03551	2.7
127.05143	4.6
128.03543	8.0
128.13010	0.5
135.03000	2.2
137.02444	1.3
139.04007	64.4
140.04312	1.8
151.04039	0.7
153.01926	27.9
154.02306	1.0
155.03494	1.7
157.06264	0.8
163.03981	2.3
165.01918	11.0
175.02426	1.5
183.02968	100.0
184.03296	4.1
210.08878	1.3
224.11826	0.6
247.18448	0.6
250.95000	0.6
267.79459	0.7
319.06934	0.7
320.09216	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	319.0457
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
59.01376	6.6
59.63659	2.0
62.45679	1.8
69.27557	4.0
69.27971	13.3
71.01390	2.5
77.45184	2.2
81.03462	4.4
82.43548	1.8
83.01384	5.7
93.03451	5.4
93.88618	2.0
95.01416	5.2
95.72290	2.1
96.27450	2.2
97.02945	2.9
98.19936	4.1
99.00874	7.6
102.19132	2.1
105.95158	1.8
109.02938	7.9
111.00836	4.5
115.05553	5.6
121.02914	2.0
123.00876	14.5
123.04532	2.4
124.01662	3.3
125.02431	33.9
127.00374	5.5
132.67615	2.5
133.06558	3.0
136.10333	2.1
137.02426	16.2
138.03281	5.1
139.00412	4.2
139.04019	5.8
141.01942	27.2
141.03119	2.3
141.03471	2.1
143.05011	7.7
145.02959	7.6
145.06561	3.3
147.04543	4.7
149.02440	10.6
151.00363	8.7
153.01944	29.2
154.02864	2.3
157.06653	2.0
158.50488	1.8
159.04552	14.6
161.02455	2.6
161.06126	6.6
163.03908	2.9
165.01938	11.2
166.02678	4.2
167.03487	31.5
167.05025	7.3
169.02931	3.9
169.06590	5.5
171.04527	6.7
173.02469	4.9
175.00313	2.2
175.03960	7.1
177.01909	30.7
178.02257	3.5
181.01482	2.8
183.04552	17.5
185.02330	2.4
185.06079	5.0
187.03986	19.8
189.01926	5.3
189.05582	6.6
190.02774	4.7
191.03493	29.0
193.01431	19.0
197.02394	4.2
199.04001	4.0
201.01878	2.9
201.05539	4.0
203.03578	2.4
203.06966	2.2
205.05066	5.0
207.29770	2.0
211.03986	24.1
213.01756	2.1
213.05489	5.2
214.02731	9.9
215.03488	57.9
216.03673	3.0
217.01422	20.3
217.04982	3.1
217.33960	2.0
219.03119	4.3
219.06552	4.5
220.37024	1.9
227.03416	4.8
229.01447	9.5
229.05008	19.9
229.97382	2.4
230.02043	2.3
231.02956	4.9
233.04521	34.7
239.03564	11.8
243.02969	4.0
247.06114	7.3
251.05547	2.5
255.02986	4.0
257.04581	22.8
273.04086	5.1
275.05597	8.6
283.02524	3.9
301.03528	100.0
302.03845	6.0
315.87180	2.2
319.04538	48.9
320.04822	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	317.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63090	2.6
69.17044	8.0
69.17472	17.5
85.21340	2.7
86.97549	2.3
98.19852	5.6
106.06620	92.5
107.06993	3.3
116.05061	4.2
122.06111	2.9
123.03326	2.9
132.04567	4.1
134.06085	4.3
138.05580	19.0
140.07162	15.6
142.06551	3.0
150.05569	12.4
152.03500	45.7
166.05078	18.3
167.05870	100.0
168.06270	4.6
170.09731	3.3
186.12877	16.3
187.32581	2.4
201.07980	17.6
215.09497	10.2
225.06622	7.1
226.07474	4.8
230.11829	40.2
239.08308	3.6
240.09062	4.9
255.11383	45.1
256.31216	2.4
273.12405	58.2
274.10764	9.4
299.10391	16.2
317.02972	3.9
317.11389	77.6
317.20511	4.3
318.11771	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	318.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78346	3.3
57.18985	2.7
59.01374	3.9
60.66295	3.2
61.37659	3.2
61.98830	100.0
255.06593	22.4
256.65060	3.1
329.80646	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	318.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73060	0.4
57.03454	0.5
59.01373	2.8
70.02951	0.7
78.50514	0.4
81.03438	0.8
83.01376	3.8
83.61427	0.5
89.38615	0.4
89.39559	0.4
92.04021	0.4
94.02962	0.5
99.04498	1.4
107.01428	0.5
108.04553	17.4
109.02975	0.5
120.04546	5.9
121.02950	0.7
122.06068	1.0
123.00868	0.5
125.02451	3.4
128.07185	0.4
131.03754	2.6
137.02428	0.7
139.51768	0.5
144.04536	4.4
146.06116	13.7
146.08179	1.4
148.04045	9.5
151.00346	1.4
152.00638	0.6
153.01874	0.6
158.06111	0.9
160.04054	0.8
160.07626	0.8
164.07152	4.0
165.01871	0.9
166.02661	0.8
167.03430	0.9
170.06082	1.5
172.04005	3.8
175.00378	0.6
178.99792	0.7
180.58948	0.4
186.05635	1.0
188.07167	8.1
190.05119	3.8
191.03494	0.5
193.01390	4.1
206.08302	0.7
212.07263	0.5
214.05106	0.6
228.06644	1.2
230.08177	4.5
232.06123	18.1
233.06490	1.5
256.06219	1.4
258.04044	7.0
274.07187	100.0
275.07553	7.1
277.12238	1.0
318.03131	1.6
318.06161	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01376	1.5
64.23695	0.6
69.96343	1.1
69.96756	2.2
71.01371	3.7
73.02971	0.7
81.03451	1.6
81.88322	0.6
83.01411	0.6
85.02948	2.8
89.02456	1.1
93.03458	0.8
95.01389	1.8
101.02411	1.3
101.77515	0.6
108.02171	100.0
109.02964	38.8
110.03291	0.8
113.02422	2.1
121.02971	1.8
123.00832	1.3
123.04559	1.5
135.04500	1.0
137.80095	0.7
151.04019	1.5
152.01146	73.0
153.01938	44.2
154.02312	1.5
163.04007	1.1
165.01892	2.0
167.83282	0.7
195.03038	1.6
210.71709	0.7
248.19836	0.7
255.05219	0.7
260.80206	0.7
315.07196	89.6
316.07477	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	315.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00741	0.2
51.16773	0.2
65.00332	0.3
69.03443	1.0
70.26509	0.5
70.26903	0.5
77.03960	0.7
79.02403	0.2
83.01388	0.9
83.05017	0.3
85.02930	0.3
85.57259	0.2
93.03458	0.7
95.01394	0.6
97.02918	1.0
99.00883	1.0
107.01399	0.4
108.02175	0.3
109.02950	0.7
110.00106	0.4
111.00892	0.7
111.04485	0.5
121.02938	2.0
123.00937	0.4
124.01633	1.6
135.00902	0.3
137.02443	4.6
139.00349	1.7
139.03984	0.8
140.01128	0.5
141.01918	2.9
151.00342	0.6
151.93140	0.2
152.01086	0.5
153.01906	1.5
163.00385	0.4
164.01134	0.9
165.01920	7.8
165.99083	1.3
166.02322	0.3
166.99876	1.2
178.99794	0.5
181.01450	2.4
182.02200	36.6
183.02965	100.0
184.01805	0.4
184.03326	4.2
187.03928	0.4
189.01924	0.3
195.02966	0.4
203.03468	1.0
204.04254	0.3
213.01866	0.4
214.02675	1.9
215.03474	0.5
227.03452	0.3
242.02202	1.8
243.02998	2.0
245.78531	0.2
259.02429	2.9
270.01627	1.8
271.02457	11.2
271.05518	0.5
287.01941	6.5
288.02768	0.6
314.71045	0.3
315.01288	0.9
315.07202	28.8
316.02209	24.2
316.07425	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	317.0664
Annotation	Acremonidin E
Peak:m/z	Relative Intensity
55.77868	0.4
57.03450	13.7
59.01379	1.0
61.98824	1.0
65.00352	0.6
69.36898	1.1
69.37301	2.6
71.01380	0.6
81.03458	12.5
82.03783	0.5
83.01389	1.8
93.03464	0.6
98.20634	1.0
103.05538	1.7
105.03465	3.0
107.01376	1.6
108.04561	2.8
109.02937	1.1
111.59300	0.5
116.35480	0.5
117.03477	1.1
119.05036	1.2
122.06149	1.4
123.04520	3.2
125.02445	100.0
126.01962	0.7
126.02760	3.0
134.06100	1.2
137.02432	3.1
143.04991	1.1
145.02969	3.4
147.04518	14.7
149.02428	10.3
151.00340	3.2
152.07191	1.6
163.00418	0.7
163.03951	0.7
164.01065	0.7
165.05544	1.1
178.99884	3.3
187.07738	0.6
189.05586	1.9
191.03491	57.4
192.03877	2.1
193.01416	6.5
211.07591	1.2
231.06593	1.2
244.15027	0.5
255.11362	2.2
273.04080	0.6
273.12424	7.4
317.02823	2.4
317.11197	0.9
317.19635	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43266	0.7
58.00612	0.7
59.01375	24.7
70.99117	1.9
71.01376	11.5
72.99346	0.8
81.03460	0.7
83.01385	0.7
83.65397	0.6
85.02936	2.0
86.85721	0.6
89.02447	7.6
89.02959	1.0
91.01903	0.8
95.01385	2.5
101.02442	6.5
107.01401	1.0
108.02155	4.6
108.86729	0.8
109.02945	56.7
110.03274	1.8
111.00857	0.9
111.85040	0.9
113.02440	3.7
117.92633	0.8
119.03498	2.4
123.00893	1.4
135.00876	0.8
137.02417	1.1
148.63347	0.7
150.01648	0.7
152.01138	9.8
153.01926	100.0
154.02277	3.8
162.66003	0.7
165.01917	1.1
167.03464	1.6
181.89183	0.7
192.68022	0.7
195.02965	19.7
255.05042	9.0
315.07199	75.6
316.07443	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	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03448	0.3
59.01362	0.9
61.98832	0.5
98.20605	0.7
121.02935	1.5
124.65374	0.3
125.09721	0.3
127.11265	0.8
139.11319	0.5
141.12845	0.5
155.10782	2.8
157.12288	0.6
171.10271	5.1
188.48405	0.3
197.47539	0.3
229.09210	0.4
253.09274	0.9
267.23401	0.4
277.21667	0.7
295.22794	7.9
311.22363	0.9
313.23822	100.0
314.24191	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01386	0.4
71.39287	0.3
72.58576	0.2
73.31221	0.2
78.95911	0.2
83.01455	0.2
93.03468	0.4
121.02952	100.0
122.03282	3.2
180.05812	0.9
181.06587	4.8
181.08173	0.3
182.06802	0.2
210.68182	0.2
225.05545	6.8
226.05988	0.4
240.35954	0.2
253.09315	0.3
269.04764	0.2
269.07993	0.3
281.42404	0.2
313.07156	17.5
313.23849	1.2
314.07474	1.6
322.51273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
57.03435	3.4
59.01382	18.0
69.38448	1.9
69.68065	10.2
71.01382	51.7
71.79947	1.8
73.02943	15.3
75.77110	1.9
81.03458	2.7
83.01381	9.2
85.02946	28.0
87.00893	2.4
89.02456	6.2
93.03444	4.5
95.01405	2.9
97.02969	2.7
99.00865	8.6
101.02446	25.7
106.04230	3.5
107.05028	100.0
108.02203	5.2
108.04510	2.4
108.05327	2.4
109.02940	3.6
113.02469	16.8
121.02944	4.8
123.00930	3.3
123.04531	2.4
125.02450	5.8
135.04541	5.8
137.02351	2.6
138.03246	2.7
141.01913	14.7
151.04001	81.0
152.03503	46.8
153.01910	2.9
159.02922	3.1
161.04610	11.8
165.01918	4.0
167.03445	5.8
169.01447	3.4
181.05016	2.6
183.02960	9.1
191.06099	2.9
209.04512	4.5
223.02490	7.1
225.03984	2.2
253.03589	4.1
253.09207	7.7
279.06107	4.7
295.04440	3.9
313.05435	25.7
313.09036	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	313.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	12.7
59.01369	9.5
61.98824	18.4
63.44176	2.2
69.69112	11.6
70.02979	3.1
71.01376	2.8
87.31833	2.2
91.05537	4.4
98.20736	3.1
109.02947	3.5
124.54085	2.2
147.04500	27.4
159.04396	2.7
164.07155	59.1
165.07419	3.0
179.35999	2.0
183.02946	10.4
199.62122	2.2
200.10931	2.0
206.08212	100.0
207.08533	7.0
218.57162	2.3
221.11647	2.0
253.09402	3.6
257.05704	4.6
269.07990	2.5
298.66772	2.3
306.25287	2.2
313.03033	2.6
313.08331	31.1
313.11581	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	313.0715
Annotation	Pilloin
Peak:m/z	Relative Intensity
54.90171	1.2
59.01365	4.7
71.01369	1.3
71.52947	1.2
77.01592	0.9
78.95926	2.2
81.03467	1.2
83.01374	5.8
83.01831	1.1
93.03448	1.7
102.65705	1.0
107.01328	1.2
117.03447	1.3
119.05003	3.0
121.02950	1.7
125.02480	1.6
145.02890	2.3
149.02411	1.5
157.06531	1.7
159.04533	3.6
161.06071	2.1
167.03520	2.0
177.01990	1.3
185.06058	1.7
187.04016	1.2
193.01410	2.9
199.07652	3.2
201.05585	1.6
207.27513	1.1
219.02853	6.2
227.07063	1.5
229.05031	5.9
241.08545	2.3
243.06416	1.3
253.09265	3.0
255.02968	2.6
269.04556	2.7
269.17554	1.6
271.06107	27.6
272.06439	2.5
285.07608	14.2
286.07947	2.4
298.04776	12.2
313.07153	100.0
314.07498	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	313.0716
Annotation	Pinobanksin 3-O-acetate
Peak:m/z	Relative Intensity
54.21447	0.4
57.03441	0.3
59.01376	1.0
60.29935	0.3
61.98827	1.9
65.00314	0.7
69.35732	3.0
72.73500	0.4
81.03458	0.8
82.38370	0.3
83.01373	4.8
89.00327	0.3
93.03453	0.7
99.92600	0.5
100.64256	0.3
115.92042	0.4
116.92897	0.6
117.03460	0.5
119.05030	3.9
119.99928	0.4
121.02911	0.9
123.04517	0.7
125.02405	1.0
133.02925	0.5
133.06523	0.4
143.05028	1.2
145.02945	5.8
149.02448	0.8
151.00349	0.7
156.21327	0.3
157.06529	0.4
159.04482	0.9
161.06075	3.2
167.03514	1.8
177.01900	1.7
183.04524	0.8
185.06058	2.5
187.03993	1.6
193.01379	1.5
199.07553	0.9
201.05525	1.5
202.99771	0.8
209.06242	0.5
211.03937	1.1
212.56720	0.4
219.02950	7.0
227.07150	1.8
229.05042	11.3
230.05440	0.7
241.08658	0.5
243.06548	2.0
245.08305	0.4
253.05026	1.3
253.09061	0.7
255.02946	5.2
256.03418	0.6
269.04575	0.8
271.06088	39.9
272.06470	3.0
285.07620	2.9
297.03937	2.5
298.04733	2.6
313.07144	100.0
314.07480	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	313.0353
Annotation	Endocrocin
Peak:m/z	Relative Intensity
50.72924	0.6
59.01378	0.9
66.44795	0.5
68.47283	0.5
69.81267	0.5
71.52322	0.5
71.76145	0.5
72.45074	0.5
78.95909	2.5
85.30418	0.6
98.67441	0.5
109.79296	0.6
136.51204	0.7
153.07150	0.9
171.04521	0.9
180.05818	2.2
181.06592	4.9
182.03806	2.8
185.06078	1.3
196.05333	1.2
197.06068	6.6
207.04503	1.0
210.03226	3.9
211.03932	0.9
213.05579	1.8
223.03973	0.9
224.04733	3.2
225.05559	39.4
226.05861	2.8
227.03551	3.2
240.04359	1.3
241.05058	13.0
242.05321	1.1
253.09372	0.7
269.04529	100.0
270.04877	6.8
313.03513	95.0
314.03833	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	313.041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05553	2.8
58.00562	2.8
59.01375	24.9
60.99289	9.1
69.28868	18.5
71.01386	17.0
72.30592	2.5
73.02969	2.8
78.95887	11.0
83.01337	2.9
85.02944	8.1
85.92979	7.9
87.00871	4.4
87.92492	2.8
88.98802	87.8
89.02450	18.7
91.35854	2.8
94.75571	2.7
96.00887	2.8
96.96928	7.0
101.02434	14.5
103.92065	4.7
109.02958	3.6
113.02432	4.4
119.03481	6.0
132.62741	2.9
133.01402	4.6
133.05074	4.9
141.01921	4.0
147.05635	3.9
151.03944	5.5
151.06093	4.2
152.03529	100.0
153.03946	3.5
156.89450	17.7
161.04544	5.3
166.05067	3.2
175.02522	4.0
175.05087	4.3
179.05588	3.7
183.03047	3.0
184.98517	2.9
186.93311	7.5
219.03958	5.9
249.05309	4.0
253.03351	3.4
253.09296	23.5
269.88815	5.9
279.06128	7.6
313.05280	16.3
313.11420	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	312.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45102	0.7
59.01377	16.8
61.98826	7.5
70.97957	1.7
71.01382	2.5
72.99305	2.3
73.98604	0.8
74.99387	4.6
75.10893	0.9
81.29691	0.6
84.46305	0.6
117.00447	35.5
118.00539	1.2
119.03463	0.8
126.98875	1.4
128.96759	1.1
129.00421	3.0
130.08760	0.6
159.01495	3.8
161.60307	0.7
165.33136	0.6
169.89540	1.0
170.97849	100.0
171.01445	10.1
171.89285	0.9
171.98036	7.7
174.99509	1.3
181.95320	0.8
198.99530	0.9
201.11647	0.8
209.07831	0.7
211.94815	0.8
217.00453	3.8
241.00400	1.1
253.09201	1.1
259.01602	12.2
260.01672	1.5
308.27231	0.7
312.98981	12.0
313.02597	5.5
313.99222	1.9
321.81436	0.7
329.35776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.15559	0.5
71.01394	1.9
71.51279	1.0
83.01392	0.8
84.51547	0.6
85.02975	1.6
87.83475	0.5
101.02467	1.2
113.02470	0.8
130.70476	0.5
135.04575	1.0
161.04590	1.7
171.04645	1.1
189.05623	2.2
251.11426	4.7
328.49820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03442	2.5
59.01109	1.5
59.01381	19.8
61.98833	1.6
70.74577	1.6
71.01374	1.7
81.03362	1.0
83.05007	0.9
97.06571	1.4
99.08164	2.8
101.02441	1.7
111.08151	1.2
113.09721	4.2
129.09221	5.5
139.11218	1.3
161.04549	2.1
167.51381	0.9
169.12360	2.8
171.10243	5.4
181.12305	3.9
183.01189	1.8
183.13855	2.2
193.12314	3.6
197.11819	12.5
199.13373	6.4
211.13390	20.3
212.13741	1.5
251.11325	4.1
267.06693	1.2
275.20175	1.7
282.42090	0.9
293.21231	19.9
294.21658	2.1
296.06726	1.1
311.16589	3.5
311.22260	100.0
312.22629	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01377	94.9
61.98842	6.0
71.01379	6.4
85.02967	3.8
100.70957	2.9
101.02462	3.6
123.08073	4.0
125.09716	3.2
129.09184	3.4
139.11243	5.0
161.04565	5.1
171.10258	15.5
181.12350	5.0
183.01180	9.6
183.13925	5.0
197.11867	9.5
199.13335	4.8
211.13321	16.7
251.11333	14.2
275.20398	4.9
293.21274	18.2
311.12064	5.0
311.16983	21.8
311.22266	100.0
312.22534	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	311.0407
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
52.57539	1.3
54.97305	1.2
57.25582	1.2
59.01379	7.7
67.01894	2.6
69.50401	1.2
70.74905	1.2
70.81451	1.4
70.81797	2.9
71.01379	2.9
73.02941	3.1
81.03466	2.6
83.01383	37.7
85.02932	2.0
87.00878	1.7
91.01890	1.8
93.03468	4.3
105.03439	1.7
107.05029	7.3
109.02932	3.0
111.00868	4.5
115.00385	6.8
119.05020	2.1
121.02949	2.9
121.06556	1.9
123.04515	3.0
124.01630	2.7
125.02468	1.5
129.73193	1.4
131.04987	1.6
133.02989	1.7
135.04500	4.5
137.02443	4.9
149.02480	1.3
149.06096	3.6
150.03226	6.1
151.04016	5.0
153.01921	23.0
161.02406	2.4
163.00261	1.8
163.04008	4.5
164.04704	1.5
165.01926	10.7
165.05519	2.1
166.02673	1.6
166.66788	1.2
175.02464	14.2
175.03860	2.3
178.02754	2.2
179.03496	16.3
191.03545	6.1
192.04114	2.3
193.05032	9.7
194.02187	5.6
203.03499	6.3
207.02986	5.6
209.04503	1.8
219.03032	3.8
221.04536	16.2
223.06042	1.7
231.02962	9.3
237.04041	1.5
239.05588	15.8
249.04095	7.5
255.53984	1.5
267.05066	14.2
279.08594	2.4
295.95386	1.2
311.04074	100.0
312.01044	1.2
312.04382	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17725	0.5
57.88940	0.4
59.01378	6.8
69.03455	1.9
71.01389	1.7
71.51320	0.8
73.02975	0.5
83.01373	1.5
84.88423	0.4
85.82720	0.4
97.02946	3.3
101.02440	0.5
107.05031	0.7
109.02956	11.4
111.00917	0.6
113.02483	0.5
115.05525	1.1
119.05011	0.5
120.52082	0.5
123.04478	0.8
130.04257	0.9
131.05000	0.6
133.02954	0.9
133.06604	1.5
134.03792	0.6
135.04524	25.0
136.04834	0.8
137.02461	1.9
143.05026	11.3
145.02925	0.9
145.06601	1.5
146.03717	2.1
147.04524	1.2
148.05267	1.2
149.02441	0.4
149.06076	10.7
150.03181	0.4
150.06380	0.5
151.04018	1.6
153.01892	4.4
158.03752	1.0
159.04553	2.6
160.05276	0.7
161.02487	1.3
161.04649	0.9
161.06076	16.7
162.06441	1.4
163.04039	0.6
163.07646	0.5
165.05557	2.6
167.03461	0.6
171.04509	13.8
172.05176	1.8
174.03258	4.8
175.03937	0.6
177.02029	0.4
177.05597	0.7
179.03522	2.0
181.01416	6.2
182.01927	0.5
187.03984	1.3
188.04753	2.5
189.05576	100.0
190.05882	5.1
191.03532	0.6
207.06630	9.5
219.06642	0.5
221.04547	0.6
231.06639	0.8
233.04614	1.8
235.02196	0.5
251.01613	0.6
251.05630	1.1
251.11153	1.1
274.68506	0.5
283.04767	0.5
293.03223	0.7
300.72296	0.5
311.04407	1.8
311.07889	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	310.0932
Annotation	Taxiphyllin
Peak:m/z	Relative Intensity
59.01104	6.3
59.01378	67.0
61.98818	5.5
71.01378	32.6
71.52255	7.3
72.34737	3.6
75.45191	3.7
78.60934	3.2
78.95909	5.8
83.01376	8.3
84.06189	3.5
85.02956	11.5
87.00893	6.5
89.02434	23.6
93.42641	3.4
93.47506	3.7
101.02435	17.4
104.91229	4.4
109.02961	9.1
113.02436	12.5
119.03506	11.3
120.04551	8.9
131.03600	6.5
132.04506	11.6
137.02415	23.8
144.04556	7.4
146.02466	57.9
147.03246	44.3
148.04019	11.0
149.04698	4.4
160.04027	72.7
161.04492	8.0
165.05557	5.5
166.64168	3.8
172.04114	6.8
174.05563	16.6
177.34529	3.9
179.02184	7.8
180.02979	6.2
186.05672	5.1
202.05104	19.1
206.88257	4.0
214.04994	5.3
251.11229	5.4
310.09320	100.0
311.05444	18.6
311.08939	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.25610	0.8
57.03445	1.5
59.01117	0.8
59.01362	4.6
59.50724	0.7
61.98828	1.7
67.01890	1.9
69.03449	0.8
71.01374	1.0
83.04992	1.9
84.41404	0.8
93.03474	1.0
95.05020	1.5
96.96012	1.2
97.06574	1.7
111.08169	4.0
121.10234	6.2
123.08243	1.1
125.09729	5.0
137.09717	10.5
149.09686	0.9
167.10747	1.2
167.14384	1.1
171.10266	24.1
172.10620	0.9
181.12315	0.9
185.11880	6.3
194.53003	0.7
195.13899	3.1
197.11824	3.4
211.13379	39.2
212.13725	3.0
247.20749	1.4
273.18597	0.9
291.09021	2.9
291.19650	100.0
292.19949	7.6
309.17267	1.5
309.20648	11.5
310.21118	0.9
333.70917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01863	1.9
57.03439	1.6
59.01388	12.0
61.98820	3.8
69.99859	5.3
70.00271	3.6
74.63275	1.6
80.02699	2.7
80.96475	1.8
81.03447	2.6
83.01386	9.4
83.05026	5.6
84.50202	1.6
95.04995	2.0
96.96043	3.0
97.06578	5.2
111.08122	2.5
113.02478	1.9
123.04553	3.5
123.08173	3.6
125.09704	11.6
137.09599	2.1
139.11270	12.7
143.43350	1.8
151.03958	2.7
151.07678	8.6
152.08345	5.8
163.11247	9.1
165.12839	14.7
167.10724	7.7
177.12785	1.9
181.12363	2.9
191.10724	5.2
193.12321	2.2
193.16013	5.6
197.11836	4.0
207.10252	2.7
209.02718	2.8
209.11810	63.8
209.15312	12.1
210.12129	3.2
238.67975	1.7
247.20612	13.4
252.09799	2.9
265.18011	2.2
265.21710	5.4
273.18417	3.8
281.21133	2.7
291.19644	100.0
292.19910	9.2
309.15109	15.4
309.17203	13.9
309.20380	36.5
310.15469	2.3
310.20935	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30194	1.0
58.00599	1.0
59.01372	1.4
59.61003	1.0
69.03430	1.0
70.82215	1.9
78.45297	1.0
93.07095	1.2
111.08156	28.0
127.07634	2.4
133.23047	1.2
133.59415	1.1
151.11299	1.8
153.12819	2.6
167.45651	0.9
169.12349	6.7
181.12361	1.8
197.11824	100.0
198.12050	5.1
199.13304	3.5
211.13358	11.8
227.12878	2.1
245.23521	1.0
263.20102	6.3
265.18094	2.4
272.62067	1.1
273.18518	1.5
291.19659	20.1
292.19958	1.5
309.17465	1.4
309.20685	36.5
310.20953	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.27785	0.4
58.67849	0.4
59.01377	2.8
61.98824	0.6
64.44291	0.4
69.03461	0.7
71.01379	0.6
71.41456	0.3
75.56769	0.4
78.15332	0.3
78.25818	0.3
80.02664	0.4
83.05001	0.5
97.06568	2.4
99.00863	0.7
110.20417	0.4
111.08158	1.0
113.09742	2.3
115.07660	2.0
125.06046	1.4
126.06854	0.6
127.07592	0.4
137.09642	0.4
139.11237	0.9
141.09210	2.0
144.63214	0.3
151.04007	2.0
151.07655	2.6
152.08434	2.7
153.12834	0.4
157.08647	0.5
162.10445	0.4
165.12828	3.6
167.10759	1.3
167.14345	2.4
179.14352	0.5
181.12323	3.8
183.13876	1.2
184.07314	0.6
193.08618	0.4
193.12308	1.7
193.16002	0.6
195.13860	2.1
197.11832	1.2
208.11031	0.5
209.15437	4.6
210.15767	0.5
211.13336	4.1
213.14948	0.9
217.16159	0.4
221.15475	1.5
229.14240	0.6
231.17424	0.5
239.12790	1.0
240.13681	2.0
245.19066	0.4
247.20593	4.1
252.10011	0.6
263.20099	0.5
265.17978	1.0
265.21463	0.7
273.18607	3.4
274.18765	0.4
281.21213	1.5
291.19647	39.8
292.19965	4.2
309.17188	7.3
309.20660	100.0
310.17493	0.7
310.21021	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95715	1.1
52.75882	1.1
57.50377	0.9
59.01381	1.3
71.27684	2.2
96.56353	1.1
98.55700	1.2
109.06581	1.5
111.08158	35.0
117.60837	1.1
127.07653	2.3
136.85899	1.1
169.12360	8.8
181.12357	1.9
197.11815	100.0
198.12115	5.5
199.13297	4.0
209.15421	4.0
211.13376	9.6
217.19417	1.1
227.12877	3.6
263.20145	4.7
265.18143	2.9
273.18616	2.5
291.16562	2.2
291.19662	17.0
292.19815	2.8
309.17154	3.2
309.20651	39.7
310.20966	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1129
Annotation	Cl-Amidine
Peak:m/z	Relative Intensity
50.75513	0.2
57.97136	0.2
58.49434	0.2
59.01358	0.9
60.20493	0.2
61.98802	0.2
64.98611	0.3
71.76566	0.2
74.38636	0.2
76.54579	0.2
95.19854	0.2
98.19955	0.6
150.78769	0.2
151.03986	0.3
151.07649	0.5
152.08392	0.4
185.44724	0.2
197.11714	0.2
198.78659	0.2
209.06039	0.3
209.15451	0.7
210.06795	0.3
221.09636	0.5
223.07550	0.3
237.05573	0.6
238.06305	1.0
238.10017	0.5
241.05180	0.3
251.07120	0.5
254.09447	0.4
265.12338	0.2
266.09460	1.3
267.10178	1.8
267.19232	0.2
269.08246	0.3
270.08871	0.2
279.06631	2.2
280.04257	0.4
280.07367	7.1
281.07867	0.5
290.08420	0.2
291.19446	0.3
293.08139	0.6
309.11282	100.0
310.11618	9.1
312.06329	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	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33219	0.8
58.00602	1.8
59.01376	71.6
60.01703	0.7
60.60915	0.7
70.10108	3.0
71.01377	32.3
72.99293	2.8
73.02935	2.1
76.18200	0.7
78.95918	0.8
79.89497	0.7
83.01376	2.0
85.02950	7.5
87.00881	1.6
89.02438	37.3
90.38985	0.8
95.01357	2.3
95.25393	0.9
96.96947	1.5
98.20616	1.0
101.02439	21.4
111.04518	1.5
113.02441	14.3
117.01927	2.4
119.03500	16.9
129.05571	7.5
131.03519	1.5
133.01421	1.3
143.03448	1.1
147.06624	1.4
149.04460	0.9
154.91402	0.8
161.04529	1.6
164.43964	0.7
165.24045	0.7
179.05580	2.1
268.25726	0.8
309.11874	100.0
310.12296	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.97341	0.9
55.01864	1.7
57.03432	0.9
58.00584	3.0
59.01377	83.9
70.23457	3.6
71.01377	40.6
72.20731	0.9
72.99287	2.5
73.02945	1.2
83.01377	1.4
85.02960	7.3
85.06580	1.1
87.00848	1.6
89.02440	46.6
91.69212	0.9
95.01367	2.1
98.20578	0.9
99.05032	0.9
101.02433	24.9
104.99323	0.9
113.02451	13.5
119.03493	21.9
123.68692	0.9
143.03452	2.7
149.04561	1.4
161.04581	2.2
179.05589	2.8
309.11880	100.0
310.12228	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.48868	1.4
59.01368	6.0
61.98823	2.5
69.03455	5.8
70.59293	4.5
71.01365	1.7
81.03425	2.0
83.05037	2.0
85.42066	1.3
93.03459	1.5
93.58465	1.6
95.01389	2.0
97.02946	26.8
97.06549	3.1
99.00874	47.0
108.34486	1.6
109.06564	1.8
119.08659	4.5
123.08161	2.2
125.09729	5.7
127.11340	1.8
137.06079	2.4
137.09679	9.1
151.03958	8.9
151.07643	18.0
152.08417	17.2
161.83490	1.5
163.11316	2.6
165.12840	11.0
171.10257	29.0
176.89644	1.7
179.14413	2.7
181.12369	2.4
184.07445	3.7
185.11696	4.6
190.10010	3.3
193.08777	2.0
193.12236	3.6
197.11867	3.3
207.10281	1.6
207.13907	1.9
208.10970	1.4
209.11812	6.0
209.15439	50.5
210.15767	3.6
211.13361	3.7
213.11472	1.5
223.13329	2.7
227.12860	6.6
232.05530	1.5
233.33968	1.7
247.16931	2.7
247.20636	9.6
252.10112	5.0
265.18066	5.4
273.18546	5.8
291.08984	3.0
291.19632	100.0
292.19977	7.1
309.17026	47.2
309.20688	73.0
310.17474	3.6
310.21085	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0978
Annotation	2,3-Dehydroneomajucin
Peak:m/z	Relative Intensity
59.01382	19.3
61.98812	2.9
62.27029	2.4
63.33881	2.4
65.00318	4.8
65.47074	2.1
71.01379	4.0
81.03446	8.1
83.01392	4.6
87.33371	2.4
95.05002	3.4
98.20772	3.1
100.57365	2.3
105.58365	2.3
111.00864	3.4
111.08147	5.8
117.07085	8.5
119.04985	8.2
119.08691	2.3
123.04530	15.5
124.01643	4.2
135.00862	4.0
135.08144	5.5
137.02431	4.0
139.03987	14.6
151.03967	2.5
161.06186	2.5
161.09688	7.8
163.04056	2.6
167.03481	19.9
169.12248	2.2
169.48190	2.4
177.01926	2.8
177.09160	9.3
178.06323	10.4
179.07280	2.3
189.05588	2.7
191.03589	3.5
191.89871	3.1
193.08691	37.3
193.12321	4.9
195.10352	3.8
197.11870	11.9
205.05052	2.9
205.08565	3.2
206.05780	4.4
207.06575	10.3
211.13374	2.8
219.77228	2.3
221.08182	22.1
233.08086	2.5
237.11221	15.4
265.10770	46.7
281.10217	7.0
291.19650	9.9
309.09732	100.0
309.17276	5.4
309.20584	15.6
310.10074	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.89212	0.5
57.03439	0.4
59.01370	1.8
66.92263	0.4
71.01384	4.0
97.21142	0.4
98.20700	0.8
103.04005	1.9
119.96684	0.4
129.30431	0.4
142.75800	0.5
157.05052	1.2
209.78844	0.5
228.99754	0.4
231.85037	0.5
247.08272	0.6
307.22766	100.0
308.23083	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19046	1.8
59.01375	32.7
70.46128	4.2
70.46474	3.6
71.01380	30.7
72.99284	4.1
76.14748	1.8
85.02950	3.8
87.00900	10.9
89.02432	18.1
96.06023	2.0
101.02431	7.2
113.02418	5.6
115.00369	48.8
115.74406	1.8
119.03496	6.3
129.67197	1.8
133.01422	100.0
134.01801	2.7
175.02428	17.6
178.04131	1.8
262.91162	1.7
299.51978	1.8
309.11902	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.4
61.98809	1.2
69.37921	3.6
69.38349	6.8
71.01387	14.5
72.99303	1.8
74.39167	1.2
80.41692	1.4
83.01379	1.9
85.02953	1.8
87.00883	7.7
96.87098	1.3
98.19934	2.5
101.02474	1.8
109.06615	1.4
113.02441	1.7
115.00367	40.6
115.01165	2.6
117.01940	2.5
119.05026	1.4
121.02979	2.0
125.02438	2.2
125.06081	2.2
133.02977	2.4
134.03719	2.3
135.04498	3.4
139.07605	1.8
145.02962	1.8
147.03069	2.1
151.07646	7.9
153.01988	2.7
155.07201	1.6
161.02466	8.0
165.01952	2.1
167.07089	1.5
175.02464	100.0
176.02811	2.9
177.01915	1.8
180.03049	1.4
193.04889	1.4
211.09784	3.1
213.07716	13.8
221.04529	1.9
269.89508	1.3
273.09830	13.8
309.06921	7.6
309.10107	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.61039	1.1
57.03441	3.6
58.25270	1.2
59.01375	19.4
61.98838	2.5
65.03955	7.3
69.03451	3.7
70.54636	1.1
71.01380	25.1
71.05012	5.5
71.21669	2.3
78.46702	1.5
80.02662	1.8
83.05025	10.2
85.02953	1.1
93.03458	20.2
97.06595	11.7
103.04005	12.8
106.04236	2.1
107.05011	1.3
107.08681	1.9
109.06575	2.8
111.04488	2.4
111.08175	2.5
115.05614	1.1
117.07090	15.7
119.05021	3.9
119.08657	22.5
120.05820	2.7
121.06596	10.7
123.08192	2.7
125.09734	16.1
128.03535	1.4
133.06612	6.7
135.08160	74.9
136.08417	2.6
137.09698	3.5
137.52861	1.3
138.06859	3.4
143.10742	1.9
145.02948	1.5
151.11256	2.4
157.05034	8.0
163.11349	1.8
171.10260	58.1
172.10588	1.5
185.11850	10.4
187.14720	1.6
191.14261	2.9
195.66429	1.3
205.15970	4.1
209.11809	9.1
211.13380	9.2
221.15474	2.0
231.13800	3.5
233.15396	10.2
235.13405	9.1
245.19127	8.7
247.08159	8.2
249.14911	14.1
251.16631	1.5
252.13751	1.9
261.18649	1.9
263.20297	2.5
271.16986	4.5
279.19565	6.9
289.18082	100.0
290.18460	8.3
307.10931	2.3
307.19131	49.5
308.19464	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.4
59.01381	44.6
59.43626	2.9
61.98820	5.5
69.03451	4.2
70.06966	4.2
70.07307	11.6
71.01376	59.7
81.03457	6.5
83.01384	11.0
85.03006	3.3
90.78225	3.5
95.05023	9.7
97.02951	6.5
97.06601	10.9
98.19980	4.5
103.03999	30.9
107.05006	4.2
114.40245	3.1
121.06584	5.0
123.04532	9.7
123.08166	3.6
125.09689	27.9
126.10096	3.5
135.08118	5.7
137.09706	11.6
139.14191	3.4
157.05049	16.3
163.11255	16.7
165.09286	3.4
167.77524	3.9
177.12904	4.0
185.11761	24.5
187.63333	3.5
191.14371	19.9
203.24905	3.4
207.10306	10.3
209.11833	45.8
210.12315	3.8
211.13251	6.4
216.86952	3.6
217.16006	3.7
225.11269	12.3
245.19093	53.2
247.08263	16.4
271.16901	7.1
289.18054	100.0
290.18439	6.5
307.19116	48.8
308.19385	4.7
310.18997	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.0
59.01377	32.4
60.40831	2.6
61.98815	5.4
69.03442	5.1
69.70431	3.4
71.01373	41.7
78.50060	3.3
80.02686	2.9
83.05030	6.2
85.02945	3.0
95.05000	4.4
96.95973	3.6
97.06581	25.0
98.19919	12.2
103.04015	16.3
106.61779	2.7
109.06560	6.8
111.08146	15.0
121.06546	3.1
123.04511	3.6
125.09684	9.1
135.08167	4.4
137.09673	4.5
145.10217	3.4
146.91458	3.0
149.09680	6.4
151.11285	35.5
153.09137	4.9
153.12788	4.4
155.10771	9.0
157.04991	11.3
163.11313	6.1
165.12845	40.5
167.10742	6.5
169.12349	3.3
177.12791	3.8
179.10706	11.3
181.12338	48.1
185.11732	4.1
191.10776	19.8
191.14357	10.1
205.12456	4.7
209.09920	5.7
209.11830	100.0
209.13794	4.7
210.12068	3.2
211.13406	13.8
224.10294	2.9
229.62561	3.3
245.19067	36.5
247.08167	9.6
254.57640	3.0
254.60234	3.6
261.18588	4.5
263.20105	11.1
271.16922	5.3
279.19632	10.0
289.18100	45.7
290.18506	3.7
307.19144	77.0
308.19504	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	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.83065	2.8
57.03442	13.2
58.24466	3.4
59.01378	30.8
61.98824	3.5
69.03461	7.1
70.65673	4.5
70.65988	5.9
71.01380	55.1
71.04999	3.7
73.65141	3.0
80.27852	3.0
83.05029	8.8
95.05020	6.0
97.06591	23.8
103.04008	21.3
103.33618	3.4
109.06581	5.0
111.08128	15.4
111.51788	2.9
123.04523	5.1
125.09715	6.6
126.56025	3.0
137.09668	3.1
149.09752	6.0
151.11307	25.6
153.12802	7.7
155.10770	12.2
157.05077	10.3
159.98738	3.3
163.11304	7.7
165.12854	33.8
167.10756	6.8
179.10757	14.3
181.12335	40.3
182.12657	4.6
191.10719	17.4
191.14383	10.4
209.11821	83.0
211.13379	8.7
224.10527	4.7
239.09367	4.5
245.19057	33.9
246.19446	4.1
247.08197	13.1
263.20081	14.2
279.19568	5.6
289.18094	46.8
290.18445	5.4
307.15634	7.9
307.19122	100.0
308.19577	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.58765	0.5
54.79130	0.5
55.01867	0.7
57.03431	0.9
58.00575	1.0
58.94661	0.5
59.01378	40.5
69.34207	4.6
71.01379	19.2
72.99309	1.3
73.02956	1.2
83.01390	1.6
85.02949	3.9
87.00878	0.7
89.02444	16.1
93.59998	0.7
95.01386	1.0
96.58191	0.5
99.08154	18.1
101.02444	13.8
111.00865	0.6
113.02457	7.3
116.83459	0.5
119.03491	7.2
127.07623	2.3
129.09192	1.9
131.03477	0.6
141.09201	1.8
145.02933	0.6
145.08701	57.9
146.09007	2.2
161.04532	1.0
179.05553	1.6
187.09705	1.8
291.61389	0.5
307.13965	100.0
308.14264	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72626	1.4
55.01855	1.2
57.03432	5.0
59.01381	10.9
64.80177	1.2
67.01875	1.5
69.03454	3.2
69.19685	4.0
69.20101	7.7
71.01372	8.6
73.04572	1.3
80.02666	3.0
81.03458	6.5
83.01385	6.8
83.05019	4.6
95.04996	4.5
97.02950	7.5
97.06583	13.6
103.03996	5.1
106.04229	2.3
109.06561	3.1
119.08672	1.8
121.06568	3.8
123.04523	9.8
123.08183	6.7
125.06077	2.0
125.09720	21.6
135.08134	3.8
137.06071	2.5
137.09735	13.4
141.12820	3.1
142.02727	2.3
149.06047	3.4
149.09688	1.6
157.05035	2.9
157.28906	1.4
161.09711	2.0
163.07634	3.7
163.11284	18.0
164.11662	1.7
165.12843	4.4
167.10719	3.2
171.10277	2.3
177.12791	1.8
179.10728	2.3
181.12291	3.3
185.11812	22.4
191.10765	2.6
191.14392	25.3
206.62631	1.2
207.10242	12.4
209.11806	59.0
210.12172	3.5
217.15842	1.9
225.11304	14.1
226.11909	1.7
227.17911	1.9
245.19075	48.0
245.21625	2.3
246.19456	4.2
247.08179	2.3
247.16898	1.6
263.20187	3.7
271.16968	4.2
287.16556	2.1
289.18073	100.0
290.18451	9.6
307.19113	48.4
308.19461	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09709	0.3
59.01380	1.7
60.97517	0.4
61.51096	0.3
67.37557	0.3
71.01376	1.9
74.99073	6.2
75.96206	0.4
77.28442	0.3
91.02209	2.7
93.00146	1.5
96.51500	0.3
98.19883	0.7
103.04021	1.2
138.27686	0.3
143.05385	0.4
145.37590	0.3
149.00958	2.5
157.05006	0.6
159.07204	0.5
159.08467	7.0
160.54303	0.3
160.71001	0.3
161.06367	1.7
192.98195	0.8
206.99689	1.3
209.01241	2.4
210.01344	0.3
217.07193	1.0
223.02820	53.1
224.02884	4.7
241.03946	0.5
247.08206	0.8
263.96158	0.3
289.07471	2.2
291.09088	100.0
292.09204	11.3
307.12256	5.3
308.12372	0.6
309.10059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26930	0.4
56.72468	0.5
59.01389	2.4
61.51950	0.5
69.69399	0.4
70.66357	1.4
71.01382	3.6
74.99068	5.2
91.02216	2.9
93.00140	1.4
96.37349	0.4
103.04023	2.8
122.05862	0.5
130.77808	0.5
149.00984	2.4
157.05063	1.5
159.08463	7.4
161.06401	1.8
171.74033	0.5
192.98112	1.0
206.99683	1.3
209.01219	2.1
217.07085	0.9
223.02818	49.3
223.14040	0.5
224.02855	4.2
247.08217	1.6
275.05743	0.7
289.07657	2.4
291.09085	100.0
292.09195	11.3
307.12274	5.5
309.10101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56340	1.1
58.00590	1.3
58.02970	4.9
59.01380	100.0
60.01716	1.0
63.02716	1.2
63.71853	1.0
71.01010	1.6
71.01378	18.8
71.52144	2.1
72.99323	1.2
73.02954	1.3
74.02470	10.6
75.02800	2.2
82.02988	1.3
83.01397	1.6
85.02924	3.5
86.02477	3.1
86.99132	1.4
87.00881	1.5
87.02811	1.1
87.05629	3.7
88.05958	1.6
89.02448	15.4
90.00177	2.0
93.64700	1.0
95.01394	1.5
99.05636	7.8
100.05979	3.0
101.02429	11.1
101.07183	1.4
102.98582	1.1
103.04006	1.7
109.04066	1.0
112.04022	1.0
113.02460	6.5
119.03510	5.7
120.99654	5.5
127.05138	1.4
127.07648	8.0
128.03546	21.7
128.56288	0.9
129.03896	13.8
135.05615	1.2
141.06697	1.5
142.07066	1.6
143.04613	28.3
144.05022	16.8
145.02884	1.5
145.06497	1.5
145.08711	10.0
146.04576	2.2
153.06631	1.3
160.00696	3.0
161.01041	4.5
167.04549	1.9
167.10265	1.5
168.04884	1.4
168.08591	1.2
169.82526	1.0
173.06102	1.3
177.03345	2.0
178.03590	1.2
179.04588	2.9
180.04985	5.4
186.06032	1.8
187.04051	2.7
193.01471	1.1
210.08900	1.6
211.09076	5.5
230.10783	1.1
234.21118	1.0
242.08279	1.0
247.08189	1.2
254.07748	2.0
255.08150	12.0
272.08932	3.3
273.09164	13.5
274.09293	1.5
289.06793	3.3
307.08179	24.9
307.13947	81.9
308.07373	5.4
308.14224	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73604	0.2
57.26621	0.2
57.66739	0.1
58.24404	0.1
59.01379	1.0
61.98826	100.0
62.98519	0.2
63.99250	0.2
64.53082	0.1
70.98762	0.4
71.01385	1.6
89.78210	0.2
103.04008	0.8
105.53378	0.2
121.02975	0.4
157.05072	0.6
161.98923	1.2
162.98386	0.9
163.98596	0.4
164.96381	61.4
165.96461	2.9
206.97433	25.5
207.97522	1.3
247.08107	0.4
306.97519	22.8
307.97653	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77096	3.1
59.01373	21.6
59.23653	2.9
59.79848	3.3
63.12013	2.8
63.24393	3.0
71.01375	26.9
72.00937	3.2
72.04539	23.0
87.05615	15.0
88.04033	14.2
91.05527	13.2
97.04079	5.2
99.05650	5.2
100.04044	100.0
103.04008	15.3
113.02457	3.7
115.04365	5.9
115.05135	88.9
129.62723	3.1
142.73770	3.5
144.03047	55.5
145.02957	9.1
147.04477	6.7
157.04999	9.3
176.07156	12.8
190.05107	4.2
201.10294	11.5
216.75893	3.7
235.10866	54.3
236.11205	6.5
245.09319	27.0
247.08189	6.7
261.08755	6.4
263.10190	19.8
307.08694	6.4
307.13959	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0763
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.78440	0.3
51.18365	0.3
56.39610	0.2
58.02974	14.0
58.90880	0.2
58.99610	0.5
59.01375	0.5
66.03465	1.4
66.94547	0.3
67.03012	0.6
68.05048	0.5
70.02974	2.5
70.80544	0.4
70.80872	0.4
71.01385	1.2
72.00905	2.8
74.02472	28.8
74.99118	0.3
76.59241	0.3
80.03774	0.4
81.04584	1.5
82.02983	3.7
84.04539	1.6
85.04081	1.3
86.02477	10.2
86.06131	1.4
86.99092	2.5
87.05637	11.5
88.04031	1.3
90.00173	3.7
94.06649	0.3
95.02502	0.5
96.04530	0.7
97.04071	3.4
97.04615	0.4
98.02477	0.5
98.06090	0.7
99.05640	26.1
100.00443	0.6
100.05993	0.3
101.07212	4.1
102.05605	3.0
106.22165	0.3
107.06158	1.3
109.04072	3.3
109.07708	1.0
110.02470	0.5
110.06161	0.3
111.05640	2.1
112.04052	3.6
113.03577	1.2
113.07215	0.5
115.05139	0.4
116.01762	2.3
120.01264	1.1
121.04054	0.4
123.05649	3.5
124.04014	1.9
125.03565	2.5
126.01986	0.5
126.04323	0.3
127.05130	5.9
127.08751	0.3
128.03537	70.2
129.03880	1.7
129.99669	0.9
131.04648	2.4
135.05637	6.3
137.07207	1.4
139.05147	0.8
139.08723	0.3
141.06702	8.3
141.90436	0.3
143.04619	100.0
144.01221	0.4
144.05005	2.2
145.06197	4.3
146.04590	8.5
149.07167	0.8
153.06683	7.4
155.08220	0.9
160.00732	25.0
161.01122	0.6
164.08344	0.3
166.09859	4.2
167.04610	7.8
167.08269	2.6
170.03345	0.9
171.04047	1.1
171.07730	1.4
177.03384	8.5
179.04614	18.0
180.04968	0.6
180.07758	0.9
181.06198	2.2
184.10925	1.6
185.05643	3.8
192.07863	1.5
193.06194	0.4
197.05653	3.4
198.08807	2.3
199.07304	0.5
210.08826	18.7
211.09126	0.8
213.03426	1.2
228.09839	2.2
231.04433	0.6
236.06685	0.5
242.07805	3.5
254.07796	28.8
255.08124	1.2
260.08875	0.5
272.08868	37.5
273.09082	1.7
288.06561	8.5
289.06583	0.4
306.07632	54.7
307.07980	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
61.98822	1.2
64.42145	0.7
70.33884	1.9
71.01415	0.9
86.50639	0.9
142.18927	0.8
162.14516	0.9
305.24838	100.0
306.25208	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	306.0764
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02972	11.5
66.03480	2.0
69.67828	8.0
70.02980	2.2
71.01383	3.2
72.00902	1.6
74.02473	30.6
78.95900	2.8
82.02974	5.8
84.04536	2.5
85.04105	1.4
86.02467	10.4
86.99110	2.4
87.05643	12.9
90.00182	4.6
96.04579	1.4
97.04079	3.9
99.05643	26.9
101.07172	3.0
102.05605	3.2
103.03989	1.4
105.55896	1.4
105.68009	1.4
109.04080	3.9
111.05620	2.0
112.04051	3.0
113.03545	1.5
115.00377	2.8
116.01765	1.3
123.05642	3.1
125.02451	2.0
125.03555	2.8
126.01971	1.9
127.05138	4.1
128.03537	74.9
131.04607	3.5
133.05067	6.0
135.05638	5.6
137.07133	2.3
141.05742	1.3
141.06647	7.5
143.04616	100.0
144.04944	4.3
145.06155	4.8
146.04579	8.1
151.35815	1.3
153.06697	7.4
160.00735	27.1
166.09828	3.2
167.04666	6.4
167.08220	2.6
171.07663	1.8
177.03389	10.5
179.04611	19.0
181.06200	2.5
184.10847	2.1
185.05696	4.4
192.07664	1.9
197.05681	4.9
198.08849	2.0
210.08841	20.3
211.09137	2.2
228.09917	2.2
242.07813	2.5
254.07817	29.5
255.07967	1.7
272.08850	36.6
288.06573	9.1
306.07629	58.2
307.07736	3.1
319.56641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.9
58.00579	4.9
58.02959	4.5
59.01378	100.0
69.03445	5.4
69.48248	1.3
69.88815	1.4
71.01379	61.3
71.43212	1.6
72.99310	3.8
73.02950	4.6
73.07113	1.2
74.02462	15.0
81.03465	2.9
81.07093	12.6
83.01379	7.2
83.05011	1.7
85.02951	14.3
86.02467	2.5
87.00890	2.4
87.05625	4.3
89.02441	70.2
90.49241	1.4
93.03437	2.9
95.01380	6.5
95.05013	2.8
97.02934	2.1
97.04086	1.3
97.06577	2.3
98.02493	2.3
99.00880	3.6
99.04507	3.0
99.05647	8.4
101.02442	36.8
101.07171	1.4
109.02958	16.1
109.04074	1.5
111.00880	5.5
112.04104	1.6
113.02441	27.8
116.03495	3.5
119.03497	31.6
121.02954	4.0
123.00857	4.3
123.04523	6.0
125.02445	40.3
125.06043	8.5
127.05076	2.5
128.03542	21.4
133.02982	1.8
135.04630	2.8
135.05623	2.8
137.02448	19.7
139.00385	8.5
139.03990	5.5
141.01932	2.9
141.06688	3.3
143.03522	3.6
143.04614	37.0
143.07033	1.9
145.03000	1.4
145.06218	1.5
146.04573	3.2
149.02405	5.4
149.04489	2.3
151.03983	3.0
153.06628	1.8
159.04541	2.5
160.00740	7.6
161.02435	13.7
161.04553	3.6
162.03197	1.8
164.01122	1.9
165.01895	6.8
167.03450	7.0
167.04706	2.5
167.08376	1.4
167.80809	1.3
169.05013	1.3
175.03938	2.7
177.03365	3.2
177.05630	2.1
179.03293	1.9
179.04480	2.7
179.05727	4.3
187.06119	2.8
197.05725	1.8
201.05499	2.9
203.03572	2.3
210.08786	8.4
217.05051	2.3
219.06615	7.0
219.12392	4.8
221.04472	1.7
247.22485	1.5
254.07809	8.6
259.05856	2.2
261.08636	3.1
261.13477	2.3
263.05511	1.7
269.04507	2.5
272.08887	11.0
287.05615	7.4
288.06433	3.3
305.06754	40.9
305.12408	73.6
305.15948	2.9
306.07547	21.2
306.12799	3.3
307.99228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52938	2.5
56.40502	2.8
58.00586	5.0
59.01376	100.0
60.31981	2.8
61.98855	3.0
66.50054	2.6
69.27058	9.5
69.27481	13.6
71.01380	58.8
72.99306	7.6
75.00859	7.6
76.31260	2.7
81.03434	7.4
83.01374	9.0
83.33038	2.5
84.02167	6.4
87.00862	14.0
87.23691	2.3
89.02438	67.2
97.06570	4.4
99.00861	15.1
99.08146	3.4
101.02377	2.9
106.04295	2.8
108.02182	26.5
109.02960	4.8
109.06565	5.6
111.00890	6.1
111.08154	7.1
113.06035	2.7
115.00364	76.3
117.01940	78.1
121.06554	4.6
122.03706	5.8
123.08154	24.3
125.02473	3.4
125.06068	4.5
125.09692	4.8
127.07671	16.2
128.03593	3.5
136.05273	3.3
137.09750	3.0
139.00375	2.7
139.07635	15.3
141.09181	6.3
143.04527	6.5
150.03149	4.2
151.07642	79.4
152.08089	3.0
153.09181	7.3
155.07126	10.8
157.01361	4.2
163.07698	4.6
165.09178	19.6
167.07092	5.2
169.08746	5.7
171.01140	2.5
173.08165	50.6
175.01021	3.4
175.02475	48.5
181.08690	9.3
183.10233	4.6
193.08755	15.9
211.09737	36.7
213.07674	76.0
245.10190	5.0
254.08047	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00547	2.9
55.01868	3.5
57.03433	12.1
59.01377	100.0
63.60889	2.7
69.03452	3.2
70.81316	7.2
71.01380	47.1
72.99299	3.6
73.02968	3.8
74.02452	8.1
80.23424	2.9
81.07085	8.7
83.01364	9.3
83.05013	3.0
85.02954	16.2
85.21138	2.9
87.04510	3.8
89.02442	46.5
95.01392	8.3
97.02924	5.6
99.00880	6.7
101.02451	35.7
105.12407	2.8
109.02950	19.7
111.00848	5.8
113.02465	19.4
119.03492	17.8
121.02905	4.6
123.00944	5.2
123.04490	9.6
125.02431	50.8
125.06054	5.1
126.46445	3.0
127.64087	2.9
128.03502	8.1
132.04544	3.4
137.02415	21.0
139.00333	10.8
139.03966	11.7
141.01955	4.8
143.04605	12.2
149.02434	6.4
151.03943	3.2
153.28223	3.6
157.12297	2.9
161.02409	10.1
161.04562	5.4
161.05853	3.1
164.01160	5.3
165.01910	10.9
167.03424	10.7
173.11894	6.3
177.05582	3.2
179.03410	4.3
179.05583	3.7
201.05505	5.0
201.11256	8.4
217.08815	3.6
219.06523	7.3
219.12340	48.8
231.68385	3.2
254.07828	5.0
261.13470	14.5
272.08945	7.9
287.05551	8.2
302.00290	3.1
305.06689	39.1
305.12378	55.2
305.15878	5.4
306.07520	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.1
58.02951	4.7
58.99605	4.4
59.01380	18.7
63.40262	2.7
68.99815	4.7
69.67211	16.1
70.99605	15.2
71.01380	30.8
72.97530	15.3
72.99302	5.4
73.02937	5.1
74.02457	6.0
74.99097	51.9
75.00858	30.0
80.97670	2.8
83.01401	15.2
85.02949	18.8
86.99093	14.4
87.00874	5.9
87.05601	4.2
88.97005	5.6
89.02441	7.0
90.00162	3.8
95.01373	3.2
96.96015	4.0
99.00875	41.6
99.05634	6.7
100.48574	2.8
100.97028	50.1
101.02412	5.4
102.98592	72.6
107.97813	3.0
109.02963	3.2
111.00873	26.7
112.98804	69.9
114.98589	77.6
115.00305	4.6
117.01926	3.1
125.02409	10.1
128.03543	16.8
128.96529	48.8
129.01945	32.6
135.01303	3.9
135.02988	68.7
135.04533	4.2
137.02417	5.7
138.05623	22.6
142.99854	59.1
143.04532	17.5
143.50801	3.8
145.01401	4.5
160.00749	5.8
167.07130	4.4
173.00897	100.0
175.07970	5.9
177.03206	3.2
182.02045	3.1
187.04265	6.4
191.03447	3.9
206.99661	67.2
217.08803	4.1
233.04460	3.9
253.04704	3.9
254.07851	5.5
261.04190	3.3
261.12338	4.0
272.08731	4.5
288.76797	3.6
305.03094	7.4
305.06726	9.3
305.11209	6.8
306.07538	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93951	2.2
54.34371	1.9
55.01868	2.9
56.98045	2.3
57.03435	7.0
59.01379	11.8
60.32684	2.3
65.26515	2.4
65.49123	2.2
68.99801	3.1
70.99608	18.0
71.00013	3.6
71.00397	3.2
71.01379	24.7
72.97535	18.7
72.99297	6.8
73.01132	2.1
73.02930	4.8
73.80466	2.2
74.99097	56.8
75.00872	28.9
82.99616	3.3
83.01391	12.5
85.02946	10.1
86.99095	13.9
87.00856	4.4
88.97025	8.8
89.02417	5.4
99.00883	46.3
100.97027	67.6
102.97942	4.5
102.98594	63.7
111.00879	22.8
112.28016	2.2
112.98817	70.6
114.98595	82.6
115.00327	5.3
125.02408	2.4
128.96523	50.8
129.01973	18.0
135.03003	69.3
136.04066	4.5
142.06844	2.1
142.99854	55.2
143.04503	4.1
145.01407	3.5
158.97566	5.4
173.00908	100.0
177.70277	2.4
180.03000	4.7
187.04320	5.1
188.98581	3.1
189.01979	2.2
206.99702	61.2
207.99843	2.9
210.09023	2.6
254.07774	2.7
287.05484	2.7
305.03070	3.0
305.06635	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	305.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35989	0.7
56.84029	0.8
56.92345	0.7
57.03449	7.9
59.01381	9.0
69.03468	1.2
70.82188	1.7
71.01385	4.8
71.20638	0.7
74.02469	1.0
81.03467	3.6
81.07119	1.1
81.96831	0.7
83.01393	4.9
85.02942	2.0
89.02440	4.1
93.03457	2.3
95.01400	1.4
95.05036	3.0
97.02937	4.8
98.13151	0.8
99.04508	1.0
101.02432	4.0
107.05075	0.9
109.02949	15.6
111.00860	1.1
111.04515	3.5
113.02426	1.8
114.99439	0.7
119.03492	2.2
119.04991	0.9
121.02959	4.5
123.00861	6.1
123.04551	1.5
124.01663	4.9
125.02441	100.0
126.02772	3.6
128.03534	0.8
131.05042	0.8
135.04486	2.6
135.05453	0.9
137.02441	28.6
138.03192	1.2
139.04016	22.0
143.04648	1.7
147.04495	1.7
149.02420	2.4
149.06136	1.5
151.03960	2.1
159.04459	1.2
161.02394	4.1
162.03137	1.6
163.07799	0.7
164.01176	7.0
165.01926	20.9
167.03491	17.5
168.03746	0.8
171.94670	0.8
173.06058	1.8
175.03993	2.8
175.07516	0.9
176.04749	1.7
177.01952	2.3
177.05540	5.5
179.03494	19.1
189.05466	0.7
191.07121	2.1
199.67775	0.8
201.05600	1.6
203.03531	3.0
204.04262	3.3
219.06612	13.6
219.12425	1.0
220.06929	1.5
221.04532	7.1
233.08229	1.3
243.06573	2.3
247.02570	0.8
261.07617	7.2
261.13312	0.8
263.05554	1.1
287.05475	1.9
305.06659	71.5
305.12411	5.2
305.15811	1.7
306.07028	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	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03449	8.4
58.02972	1.7
59.01383	1.6
61.98832	1.0
63.05445	0.8
67.01896	0.9
68.99563	10.8
69.03443	1.6
69.39380	2.0
69.39786	2.4
71.01392	1.9
72.99259	0.7
73.02942	0.8
74.02488	2.3
74.77961	0.6
75.77628	0.6
81.03460	4.1
83.01383	4.9
83.04996	0.6
85.02950	1.3
86.02472	0.7
87.00897	1.0
87.05657	1.1
93.03468	2.6
95.01391	3.6
95.05030	4.1
97.02958	5.1
99.04527	0.8
99.05643	3.4
101.29726	0.7
107.05074	0.9
109.02946	18.4
110.84511	0.7
111.00884	0.8
111.02006	1.6
111.04518	4.8
112.98563	13.3
113.06106	1.2
115.00367	3.2
117.01933	0.8
119.05178	0.8
121.02982	3.4
123.00861	6.3
123.04514	1.7
123.05527	0.6
124.01671	4.5
125.02441	100.0
126.02801	2.8
127.05061	0.7
128.03519	6.6
133.01431	8.0
133.02956	1.2
135.03061	1.0
135.04529	1.5
137.02441	33.5
138.03178	1.2
139.00352	0.8
139.04007	21.6
140.04340	0.7
143.04630	9.1
147.04485	1.2
149.02403	1.3
149.06104	2.4
151.03981	2.9
155.03522	0.9
159.04482	2.2
160.00706	2.7
161.02469	3.3
162.03220	1.5
164.01151	6.8
164.61366	0.6
165.01924	22.8
166.02541	1.0
167.03497	23.1
168.03812	1.0
172.97714	1.0
173.06044	0.8
175.03946	3.2
175.07602	1.1
176.04822	0.7
177.01926	1.8
177.03336	1.4
177.05554	5.1
178.02577	1.0
179.03453	19.0
191.03473	0.8
191.07143	2.6
196.96912	0.7
199.04160	0.8
200.04483	0.8
201.05501	1.8
203.03520	3.5
204.04269	3.4
210.08809	2.1
215.07164	1.0
217.05040	0.8
218.05820	1.2
219.06615	15.8
220.06868	1.5
221.04526	8.8
233.08493	0.7
237.07680	1.9
243.06660	1.3
254.07822	2.8
259.36557	0.6
261.07620	8.3
263.05557	0.9
267.07281	1.1
272.08823	2.6
287.05618	1.0
305.06631	78.8
306.07288	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	305.0664
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03435	6.0
64.12204	0.8
68.99813	0.7
69.03460	1.1
70.83984	2.1
73.25871	0.9
81.03448	3.7
83.01367	3.8
93.03455	2.7
95.01389	2.0
95.05040	2.7
97.02956	3.3
109.02944	13.7
111.04517	4.8
121.02970	2.3
123.00874	5.7
123.46005	0.8
124.01653	3.5
125.02441	100.0
126.02777	2.5
135.04507	2.3
137.02446	27.1
138.03233	1.1
139.03996	21.1
140.04373	0.9
142.88441	0.8
147.08057	0.8
149.06071	2.4
151.04019	2.7
159.04543	1.0
161.02460	2.5
162.03188	1.4
164.01173	6.1
165.01920	24.5
165.03287	1.5
166.02571	1.2
167.03488	23.9
173.05995	0.8
175.03966	3.3
177.01927	2.0
177.05569	5.3
178.02690	1.2
179.03481	19.6
180.03873	0.8
189.01917	0.9
189.05663	1.1
191.07162	2.7
201.05640	1.6
203.03546	4.1
204.04266	3.6
219.06621	18.7
220.06822	1.2
221.04549	9.3
227.03406	0.9
233.08153	1.0
237.07622	1.8
243.06592	1.3
261.07602	6.5
305.06647	74.5
306.06946	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	305.0665
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
57.03447	8.5
61.62964	0.7
62.08408	0.8
69.03443	1.3
69.55079	2.0
69.55488	2.4
71.01377	3.1
81.03450	4.3
83.01376	3.5
83.05025	0.9
87.00875	0.7
89.02388	1.0
92.50749	0.6
93.03458	2.1
95.01384	4.0
95.05016	3.1
97.02943	4.1
100.12302	0.7
109.02943	14.5
111.04517	7.4
114.99545	1.0
115.00344	7.8
121.02968	2.9
123.00903	6.0
123.04544	1.8
124.01697	5.2
125.02440	100.0
126.02778	3.1
128.03540	2.2
133.01424	21.0
134.21416	0.7
135.04501	2.7
137.02443	30.1
138.03180	2.4
139.04007	21.4
143.04614	2.6
149.02429	1.5
149.06082	2.1
151.04018	3.2
159.04521	1.8
160.16025	0.7
161.02406	3.3
163.04027	0.8
164.01138	5.2
165.01924	21.1
166.02509	1.4
167.03487	22.8
173.06067	1.7
175.03970	3.2
175.07605	1.2
177.01941	2.3
177.05585	5.5
179.03477	21.5
179.04945	1.4
180.03923	1.2
189.01781	0.7
191.07143	2.4
201.05479	1.8
203.03421	4.0
204.04280	4.2
217.05095	0.9
218.05829	0.8
219.06598	17.5
220.06964	1.1
221.04524	9.1
237.07710	1.2
243.06656	1.9
254.07693	0.9
261.07687	7.7
263.05576	0.9
272.08823	1.3
280.52762	0.8
305.06638	70.9
306.07083	5.5
315.13177	0.7
322.15952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93834	0.2
58.02971	36.3
59.03319	0.3
91.24961	0.2
98.19925	0.9
168.13925	100.0
169.14288	4.5
212.12880	3.4
304.19202	1.4
328.89789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18083	0.3
58.02958	0.5
69.98330	0.9
69.98717	0.7
71.01381	12.0
72.99306	2.9
74.02460	0.9
80.06060	0.3
81.50358	0.3
87.00874	2.5
87.05656	0.6
89.02442	2.2
93.43497	0.3
98.20609	0.6
99.00919	0.6
99.05636	0.8
106.33887	0.4
109.02960	1.1
110.42049	0.3
111.00863	1.4
111.02010	1.0
112.14553	0.3
115.00369	37.6
116.00755	0.8
118.83315	0.4
125.02431	1.3
126.40493	0.3
128.03531	2.6
133.01424	100.0
134.01753	2.2
135.04486	0.7
137.02425	0.5
139.00380	1.0
141.01895	1.0
143.04620	3.8
160.00772	0.8
175.02461	0.5
179.04623	0.6
194.76347	0.4
196.02771	0.4
200.89453	0.5
210.08810	0.4
219.57852	0.4
228.97511	0.8
229.53690	0.4
254.07832	1.2
272.08786	1.3
305.06583	4.2
306.07654	2.6
316.10648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60672	4.0
57.03452	11.1
59.01376	71.8
62.83674	3.3
70.45033	3.5
71.01376	27.5
71.19481	8.6
72.99305	43.9
75.00861	24.6
79.05527	6.8
83.01390	7.7
83.05019	5.2
87.00854	4.5
89.02436	50.6
93.03452	7.0
97.02938	4.3
97.06596	30.1
99.00875	16.2
105.07128	5.7
107.05027	7.7
108.02183	4.7
109.02967	5.5
109.06572	9.2
110.03716	5.4
111.08153	18.3
112.98803	20.1
117.01923	28.1
117.03441	9.6
121.02879	4.9
121.06592	13.5
123.04495	9.0
123.08175	9.5
124.01682	10.0
124.98768	5.8
125.02422	48.2
125.06071	11.5
125.82092	3.7
135.03003	11.7
137.02432	7.6
137.06030	4.2
139.07642	38.3
141.01881	13.6
142.99861	100.0
145.02946	35.5
147.04433	5.9
149.02463	4.6
149.06108	25.2
151.00378	5.9
151.04007	9.3
153.01891	7.2
153.05542	17.3
155.10783	29.7
158.09705	4.9
167.07137	47.9
171.10187	7.6
173.00879	22.4
174.01759	28.5
174.12862	12.6
175.03952	6.8
177.01918	10.4
181.08720	13.1
193.05057	13.6
199.09740	15.4
211.06168	7.8
213.07697	11.7
217.04898	5.0
217.10822	32.4
225.07645	29.2
239.07109	8.9
255.10144	7.2
259.11829	11.1
281.07788	5.9
285.04047	26.2
303.04276	6.1
303.09164	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	304.1552
Annotation	Convolamine
Peak:m/z	Relative Intensity
59.01373	6.6
68.23222	0.7
71.00468	1.5
75.00867	1.5
79.05522	1.5
79.26022	0.7
80.27490	0.7
85.02946	3.6
86.81052	0.6
89.02432	0.9
92.05045	4.5
102.05607	4.7
110.58218	0.7
116.05097	1.7
130.06619	1.0
135.02985	3.3
144.08186	3.6
146.09763	1.2
147.11777	1.1
151.00372	0.8
156.38550	0.7
158.09746	25.5
167.03500	0.8
172.11325	4.6
174.12865	100.0
175.13197	4.4
177.49353	0.8
182.94762	0.7
206.31636	0.8
216.17560	20.8
217.17981	1.5
260.13745	0.7
260.16519	27.9
261.16888	2.6
304.15518	31.6
305.15710	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	303.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10194	0.8
55.01873	3.5
57.03437	3.7
59.01381	4.3
65.00327	1.4
65.03918	0.9
67.01881	2.3
68.99812	1.6
69.03458	2.2
70.04970	0.8
71.01363	2.5
71.51722	0.8
73.02950	1.1
81.03458	6.8
83.01371	6.4
83.42877	0.7
85.02948	4.3
87.00851	1.3
89.69923	0.8
93.03436	4.3
95.01386	4.4
95.05037	2.3
95.60682	0.9
97.02966	6.0
99.00872	15.9
99.04515	1.1
101.02415	1.0
103.05539	0.9
105.03444	2.4
107.01358	0.9
107.04980	0.9
108.02165	4.5
109.02950	23.5
111.00883	16.8
113.02428	3.1
119.04996	2.6
120.99656	2.1
121.02946	7.6
122.03744	1.6
123.00868	14.9
123.04527	23.2
124.01624	2.4
125.02439	100.0
126.02781	2.0
127.00362	5.7
131.04985	1.8
133.02946	5.6
135.04527	2.1
137.02437	38.7
138.03242	6.0
139.00366	30.2
139.03986	5.7
140.01099	3.1
141.01929	84.3
142.02295	1.9
143.05017	2.2
145.02933	3.5
146.03685	1.1
147.00970	0.9
147.04555	6.3
149.02441	13.1
150.03220	4.7
151.00388	6.1
151.04004	37.9
152.01132	4.7
152.04362	1.1
153.01921	67.0
154.02303	1.6
155.05043	1.3
158.03743	1.5
159.04425	2.4
160.01570	0.8
161.02429	39.2
161.06050	2.2
162.03091	3.2
163.00378	2.0
163.03973	6.8
164.01109	2.6
165.01921	13.1
166.02676	6.3
167.03470	6.5
167.04849	1.2
171.04492	2.9
171.49632	0.9
172.05278	1.2
173.02434	3.7
173.06190	4.0
174.03174	5.2
175.00076	0.9
175.03984	30.4
176.01138	1.2
176.04381	0.9
177.01907	17.2
177.05460	1.0
178.99870	2.1
180.00653	6.9
181.01447	4.5
185.06029	2.9
187.03993	2.6
188.04694	1.5
189.05537	7.7
191.03528	2.5
193.01369	1.5
193.04971	1.9
194.02211	1.3
195.04602	1.6
197.06078	2.5
198.03159	1.9
199.04044	7.8
201.01935	9.8
201.05669	1.3
202.02420	1.1
203.03485	7.8
205.04950	1.0
207.06667	0.9
211.04094	1.0
213.05598	5.5
215.03502	4.2
215.07114	1.3
216.04259	2.4
217.05038	25.1
217.08400	0.9
218.05400	1.2
219.02972	2.8
223.03912	1.4
229.05052	2.6
231.02834	1.0
231.06604	3.5
233.04414	1.6
235.06148	6.7
239.03458	1.0
241.05072	7.0
243.02924	1.9
255.18643	0.9
257.04504	10.8
259.06046	7.7
261.03955	2.9
267.03064	2.0
275.05573	5.5
285.04016	32.5
286.04532	2.3
301.20886	0.8
303.05075	84.8
303.08353	3.6
303.14334	2.7
303.19574	1.4
304.05524	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	303.0508
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
53.10445	1.1
57.03448	18.3
59.01368	1.1
65.00319	3.2
65.20413	0.9
83.01384	7.4
93.74814	0.9
98.20674	2.2
101.65282	1.0
107.01385	2.7
108.02120	1.8
109.02939	4.3
111.00878	1.3
121.02945	1.0
121.91737	1.0
122.03725	1.6
123.04523	6.4
124.01615	1.8
125.02440	100.0
126.02728	2.8
137.02391	1.4
139.03979	1.6
141.01924	2.3
145.02960	1.6
147.04553	2.2
149.02466	4.8
150.03250	6.7
151.00392	12.3
151.03993	11.2
152.01196	4.5
153.01961	9.8
161.02467	1.5
161.06071	1.7
165.05502	1.1
168.06645	1.1
171.04462	2.3
173.02402	1.1
174.03232	4.1
175.03998	17.7
176.01105	1.1
177.00505	1.7
177.01935	21.5
178.99890	8.6
179.28154	1.1
181.01385	2.8
187.09756	1.0
189.05559	6.1
193.04987	2.6
197.06102	1.5
199.03995	10.0
201.01907	3.6
213.05542	1.9
215.03407	1.3
216.04301	1.3
217.05043	10.2
231.06636	1.8
241.05043	6.4
243.02979	2.2
257.04340	1.1
259.06110	6.8
275.05566	5.6
285.04016	67.0
286.04306	3.7
303.05014	10.5
303.08215	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	303.0507
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.38001	0.2
54.83064	0.2
57.03447	16.8
58.43747	0.2
59.01383	0.4
62.16160	0.2
63.02404	0.7
65.00331	2.9
65.03970	0.2
67.01890	0.4
68.99822	0.3
69.60784	0.4
69.61191	1.0
81.03458	1.2
83.01385	7.1
84.01588	0.2
85.02950	0.3
93.03462	0.9
95.01385	0.7
105.03474	0.9
107.01389	2.8
108.02196	1.1
109.02950	3.0
110.00120	0.3
111.00874	1.1
112.05919	0.2
119.05019	0.3
121.02943	1.8
122.03736	0.8
123.00874	0.5
123.04527	6.5
124.01669	2.2
125.02442	100.0
126.02773	2.6
129.03378	0.3
133.02948	0.6
133.06604	0.3
133.94032	0.2
137.02431	1.4
139.00372	0.3
139.03999	2.1
141.01909	0.3
143.05032	0.6
145.02945	0.6
145.06541	0.3
146.03741	0.9
147.04555	1.6
149.02438	5.9
150.03217	6.5
151.00368	10.3
151.04007	9.9
152.01157	4.2
152.04411	0.3
153.01933	8.2
159.04468	0.6
160.01727	0.3
160.05197	0.3
161.02461	1.2
161.06088	1.1
163.00351	0.5
163.03989	0.4
164.04790	0.3
165.01924	0.3
165.05556	1.0
169.01465	0.3
171.04530	1.6
172.05219	0.5
173.02414	0.7
173.06062	1.1
174.03206	4.0
175.03990	17.7
176.01158	0.5
176.04344	0.7
177.01923	19.4
178.02269	0.7
178.99854	8.5
180.00284	0.3
181.01445	1.9
185.06012	0.4
187.03975	0.5
188.04796	2.0
189.05563	4.2
191.03496	0.9
193.05046	3.2
197.06024	0.6
198.03230	0.5
199.02150	0.4
199.03989	8.3
200.04489	0.5
201.01933	3.2
203.07176	0.4
213.05499	2.0
215.03493	0.6
216.04271	1.6
217.05046	10.3
218.05394	0.5
219.02953	0.7
223.03903	0.3
226.02693	0.3
231.06590	1.5
235.06105	0.5
240.04184	0.3
241.05049	6.1
242.02116	0.5
242.05473	0.6
243.02943	1.5
257.04541	1.0
259.06097	5.5
260.06464	0.3
265.22995	0.2
267.03073	0.3
275.05588	5.3
276.05835	0.4
285.04028	62.2
286.04364	4.4
303.05084	10.0
304.05402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.16513	0.4
59.01371	1.3
61.98812	0.3
63.02396	0.6
65.00312	0.9
83.01376	0.6
87.00864	1.1
93.03450	1.2
98.19908	0.5
105.01933	4.5
107.01382	1.2
111.13689	0.3
125.02454	0.5
137.02402	0.3
151.00369	3.7
152.01138	0.7
158.73729	0.3
163.00291	0.4
165.12851	0.5
178.99869	1.0
183.13890	19.5
184.14268	1.1
195.13884	12.1
196.14229	1.0
201.05669	0.4
206.99248	0.6
208.00171	0.4
211.13385	0.6
213.14944	100.0
214.15282	5.4
240.04285	0.4
245.04520	2.0
257.12943	1.2
273.04099	2.3
286.03925	0.6
286.63196	0.3
301.00058	0.7
301.03448	3.2
301.06497	0.5
301.16583	5.7
301.19843	0.4
301.21732	0.5
306.59702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.09016	0.2
60.97498	0.8
63.02491	0.2
71.00081	0.3
74.99037	0.9
78.75505	0.2
118.95537	0.2
118.96169	0.9
119.17045	0.2
134.98433	0.4
134.99397	5.0
136.97324	1.4
141.07430	0.5
143.05330	1.5
150.98822	0.2
159.08432	1.4
159.36343	0.2
161.06393	4.8
201.04080	0.7
203.05638	3.1
205.03618	1.0
207.37196	0.2
215.05687	0.8
217.07193	81.0
218.07352	4.9
228.41655	0.2
235.08447	0.3
260.78220	0.2
261.06174	0.8
283.12009	0.5
283.15338	0.3
285.13458	33.7
286.13641	3.1
301.16583	100.0
302.16794	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	301.1573
Annotation	trans,trans-Farnesyl phosphate
Peak:m/z	Relative Intensity
56.12555	0.3
57.67161	0.4
59.01371	0.9
61.98830	1.3
70.99784	0.8
78.95900	100.0
93.03460	0.5
95.01324	0.4
95.96184	1.0
96.96957	31.1
103.13915	0.4
107.01335	0.5
133.75716	0.4
151.00359	1.4
156.42073	0.4
160.19215	0.4
178.99826	0.4
183.13901	0.7
219.97540	0.4
245.04491	0.8
254.81891	0.4
273.03964	0.7
283.06244	0.5
286.04004	0.6
301.00314	0.6
301.03479	1.8
301.15714	12.7
301.21619	1.4
302.16080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
59.01368	0.6
61.27385	0.5
69.03458	1.4
71.51471	1.0
72.09111	0.5
79.01887	0.9
81.03442	1.3
83.01383	0.8
97.02963	1.9
107.01368	1.9
123.00872	2.7
124.01667	13.6
125.02446	48.7
126.02737	1.4
136.50049	0.5
137.02448	0.6
139.04010	0.8
149.99577	22.5
151.00397	2.9
167.03468	1.0
168.00636	67.3
169.01416	6.7
282.56863	0.5
283.04553	6.2
301.05630	100.0
302.05945	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	301.0926
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.33134	0.5
57.03448	0.8
59.01377	2.6
65.00313	0.9
69.03441	1.0
71.01380	5.5
71.26442	0.7
73.02945	1.4
74.99087	1.0
78.95901	0.7
79.27509	0.4
81.03449	0.8
83.01368	3.4
85.02946	2.3
88.98803	0.6
89.02455	0.8
93.03449	1.8
95.01378	5.5
97.02959	1.5
99.00873	1.0
101.02446	2.9
106.68854	0.5
107.01394	1.9
108.02189	1.1
109.02944	0.9
111.00888	0.7
112.44496	0.5
113.02467	3.3
118.96263	0.6
121.02948	3.5
123.00881	100.0
124.01727	8.7
125.02440	38.7
126.02798	1.1
127.05111	1.2
135.04526	1.3
136.99181	0.9
137.02449	5.0
138.03224	65.9
139.00359	1.6
139.04031	19.0
149.02403	2.0
149.99605	3.9
150.03255	0.8
151.00372	12.0
151.03998	2.6
159.03017	1.4
160.09853	0.5
161.04526	4.5
163.03973	0.8
166.02695	2.6
168.00647	12.3
169.01413	42.1
170.01738	1.3
171.47128	0.6
175.00316	0.6
178.02689	1.4
181.05057	7.6
186.12379	0.5
193.04997	3.0
211.02531	0.8
226.08260	1.1
227.83498	0.5
283.04538	1.2
284.12433	0.7
301.05692	49.2
301.09256	5.5
302.06134	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	301.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41019	2.9
59.01376	11.7
69.03469	2.8
70.98798	6.1
78.95905	5.8
83.01395	2.5
85.02914	3.0
94.46661	2.2
95.01385	5.4
96.96941	8.2
97.02961	3.1
109.02930	12.8
116.07189	3.7
120.99677	3.5
121.02908	2.2
123.00894	5.4
123.04517	5.9
124.01672	15.8
124.26252	2.6
125.02454	54.7
129.10345	3.1
130.06589	5.3
135.04570	5.0
137.02414	8.0
139.03972	13.5
142.06543	2.6
149.02423	8.0
149.99576	25.0
151.00311	8.3
151.04036	4.3
168.00613	66.9
169.01382	8.9
171.01180	7.3
177.01837	3.3
179.03464	3.0
183.13872	2.9
203.08220	9.1
208.84929	2.3
213.02167	3.0
215.07094	8.0
222.18675	2.5
239.10338	3.3
283.04376	4.7
301.05624	100.0
301.10675	5.1
301.21664	6.9
302.06046	5.3
320.01065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.93114	0.3
53.52039	0.4
59.01376	0.7
63.02396	8.3
65.00321	14.0
80.05052	0.4
83.01385	10.0
86.69532	0.4
93.03448	5.0
95.01401	0.5
98.19894	1.2
107.01388	22.3
108.02207	0.4
108.04562	1.9
108.99296	0.7
109.02946	2.8
115.48105	0.3
121.02955	19.4
122.03298	0.7
123.00863	0.5
124.01699	0.8
124.07695	0.5
125.02438	1.1
127.07543	0.4
135.04539	0.6
136.07674	3.0
137.02449	1.4
139.04037	2.2
140.44333	0.3
145.15138	0.4
147.00943	0.4
147.02637	0.4
148.01645	0.6
149.02441	3.5
150.05615	0.6
151.00359	66.9
152.00703	2.0
159.04504	1.1
161.02426	1.5
162.03220	0.4
163.00339	1.2
163.04048	1.0
164.01198	1.9
165.01920	4.3
169.01375	1.6
175.03993	0.7
178.99852	23.2
180.00182	1.0
183.04463	0.6
185.06078	0.4
187.03998	1.3
192.00702	0.8
193.01396	2.0
201.05583	1.0
203.03485	0.5
205.05042	0.5
211.03912	0.7
211.13403	1.5
215.03403	0.4
227.03491	0.9
229.05045	2.0
243.02785	0.5
245.04527	2.9
255.03146	0.8
257.04538	1.1
257.12936	7.7
258.13177	0.6
273.04028	4.2
301.03510	100.0
301.20261	1.1
302.03851	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	301.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61819	0.2
58.70711	0.2
63.02110	0.1
63.02395	5.3
65.00323	9.5
65.11437	0.2
81.64545	0.3
83.01385	7.2
91.01916	0.5
93.03452	3.0
95.01383	0.7
107.01389	16.9
108.02219	0.5
108.99281	0.3
109.02950	8.0
110.03271	0.3
111.00880	0.4
111.29279	0.2
115.05496	0.2
119.01401	1.1
119.57738	0.2
121.02953	14.9
122.03251	0.4
123.00923	0.3
124.01659	0.5
125.02444	0.6
131.05092	0.3
133.02966	0.3
135.00897	0.8
137.02461	0.7
139.04024	1.8
143.05020	0.5
145.02965	0.4
145.06555	0.2
146.03810	0.3
147.00905	0.5
147.04533	0.5
148.01666	0.7
149.02438	2.4
151.00363	47.2
152.00673	1.3
155.04994	0.4
157.06598	0.5
159.04488	1.6
161.02377	1.1
161.06071	0.3
162.03265	0.2
163.00366	4.8
163.03998	0.6
164.01164	1.0
165.01888	0.7
167.05020	0.6
169.01402	0.9
169.02734	0.3
170.03703	0.3
171.04514	0.6
173.06096	0.6
175.03957	1.1
178.99852	16.1
180.00333	0.5
183.04489	1.5
185.02478	0.4
185.06081	0.5
187.03957	1.6
189.01935	0.2
189.05614	0.4
190.99887	0.4
192.00601	0.4
193.01361	0.9
196.00128	0.2
198.03259	0.3
199.03966	0.8
201.05557	1.8
203.03485	0.8
205.05093	0.5
210.03287	0.3
211.03987	3.1
212.04645	0.6
213.01848	0.6
214.02692	0.5
215.03470	0.3
216.04018	0.4
217.01285	0.3
226.02643	0.3
227.03487	3.2
228.04109	0.6
229.05040	2.5
230.01852	0.3
239.03442	0.9
240.04283	0.6
243.02892	1.2
245.04523	3.8
255.02966	5.1
256.03610	0.9
257.04559	0.9
266.02094	0.5
271.02365	0.8
272.03104	0.4
273.04053	3.0
274.04379	0.2
283.02463	2.3
284.03180	0.3
299.02148	0.3
301.03506	100.0
302.03824	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	301.035
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
53.52345	0.4
63.02392	5.0
63.43365	0.4
65.00321	9.4
65.03967	0.5
66.17812	0.5
69.81650	2.3
77.92033	0.4
83.01379	5.5
86.70074	0.5
91.01884	1.2
92.43588	0.4
93.03440	5.4
95.01373	1.0
107.01384	15.2
108.02195	0.5
108.99310	0.4
109.02943	11.7
110.03279	0.5
117.03458	0.6
119.01370	1.5
121.02944	13.2
123.09817	0.4
123.10759	0.4
124.01663	0.8
124.36388	0.4
125.02422	1.0
135.00896	1.4
137.02388	0.8
139.04015	2.2
143.04976	0.6
145.06625	0.5
146.03740	0.5
147.00858	0.7
147.04472	1.2
149.02429	3.7
151.00354	43.2
152.01114	2.5
153.01868	0.6
155.04967	0.6
157.06564	0.8
159.04475	2.9
161.02428	1.9
161.06068	0.9
163.00356	9.0
164.01062	1.4
165.01909	1.0
167.05023	1.2
169.01422	1.2
171.04593	0.6
173.06067	1.4
175.03984	1.2
178.99852	16.0
180.00111	1.0
183.04486	1.9
185.06152	1.2
187.03967	2.2
189.05562	0.8
190.28938	0.6
192.00603	0.7
193.01312	0.7
199.04030	1.2
200.04802	0.6
201.05580	3.4
203.03453	1.0
203.39195	0.4
205.04968	0.6
206.99312	1.8
208.00117	0.7
211.03973	4.8
212.04651	0.5
213.01866	1.2
213.05614	0.4
214.02701	0.6
215.03468	1.0
227.03433	4.0
228.04056	0.8
229.05078	3.3
231.02811	0.6
239.03606	1.0
240.04308	0.6
243.02945	1.4
245.04527	10.2
246.04776	0.7
255.02945	8.5
256.03476	1.4
257.04468	1.7
266.01968	0.8
271.02432	1.4
272.02814	0.7
273.04037	9.8
274.04376	0.6
283.02420	3.8
301.03491	100.0
302.03812	7.4
322.79199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.035
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
63.02392	3.0
65.00318	8.3
67.73868	0.7
74.34751	0.6
78.49442	0.6
83.01389	6.9
93.03464	12.0
95.01372	1.4
96.99321	0.7
98.19913	1.4
107.01393	12.7
117.03454	1.5
121.02944	1.9
124.01641	2.9
125.02448	4.6
135.00815	0.6
135.04510	1.7
137.02446	0.9
143.05020	0.9
145.02913	1.2
149.01292	1.4
149.02438	27.1
150.02846	1.1
150.65610	0.7
151.00371	28.6
152.01160	7.5
153.01883	2.4
159.04474	2.5
161.02431	3.1
161.06079	0.8
163.00380	2.7
171.04515	0.7
173.06073	0.7
178.99863	7.9
183.04532	1.2
185.05957	0.8
187.04015	1.4
189.05640	0.8
191.03477	4.0
201.05583	2.2
206.99329	8.9
208.00114	5.0
213.05473	1.0
215.03490	2.4
227.03380	1.3
227.67348	0.8
229.04996	2.1
233.04547	0.9
239.03479	1.4
245.04526	20.2
246.04915	1.7
255.03018	2.0
257.04520	3.8
273.04034	30.1
274.04303	1.3
283.02502	1.6
290.42792	0.7
301.03519	100.0
302.03839	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01293	1.0
60.53711	0.3
65.00270	0.5
68.99742	0.4
70.35479	0.8
70.35872	0.6
70.87942	0.3
92.96796	0.3
98.19976	0.5
107.01304	1.3
109.02953	2.5
123.00793	0.4
123.04415	0.8
125.02319	0.4
130.00018	0.3
133.02937	0.3
137.02332	1.0
139.03879	0.5
139.05351	0.4
143.04919	1.0
145.02834	0.3
147.04510	2.0
149.02440	1.8
151.00281	0.6
151.04034	0.6
157.06609	0.6
159.04485	0.7
161.02321	0.3
161.04840	0.4
167.04999	6.1
169.02853	0.7
171.04498	0.7
175.00349	0.5
176.01013	0.3
177.01802	0.5
183.04405	0.8
185.06035	1.5
187.03928	0.9
189.05455	0.9
191.03456	1.4
195.04500	1.6
196.05167	0.7
201.01897	0.3
211.03990	2.7
213.05554	11.5
214.05888	0.6
215.03487	5.1
215.07051	1.9
216.03725	0.4
227.03452	1.3
228.03969	0.5
233.04503	0.6
239.03474	1.5
240.04247	5.4
257.04532	100.0
258.04831	6.8
259.02164	0.3
272.03033	0.9
273.02975	4.6
301.03516	39.3
301.07077	2.2
301.16653	0.6
301.21680	0.4
302.03909	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	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.03440	0.7
59.01355	0.5
63.02396	4.2
65.00322	10.4
67.01883	0.6
68.99784	0.4
83.01387	6.9
91.01890	0.7
93.03455	10.6
94.03798	0.4
95.01381	1.6
98.19861	0.9
107.01387	14.9
108.02157	1.3
109.02983	5.5
111.00872	0.5
117.03439	1.7
119.01360	0.9
121.02959	8.0
123.00883	1.1
124.01678	1.9
125.02458	4.8
127.66663	0.4
133.02943	0.6
135.00885	1.8
135.04544	1.9
137.02438	1.5
139.03989	1.4
141.86598	0.3
143.04962	1.0
145.02931	1.1
145.06630	0.4
147.04468	0.6
148.01634	1.3
149.02266	1.4
151.00363	39.1
152.01160	4.9
153.01872	1.0
157.06691	0.4
159.04503	2.4
161.02435	2.6
161.06047	1.0
163.00372	8.4
163.03976	0.6
164.01083	1.4
169.01529	1.7
169.02698	0.4
171.04523	1.1
173.02477	0.4
173.06062	0.8
175.03995	0.5
177.05547	0.4
178.99850	12.9
180.00322	0.4
183.04477	1.5
184.04906	0.6
185.02438	0.5
185.06050	1.0
187.03973	2.3
188.04349	0.4
189.05449	0.6
190.99896	0.4
191.03505	1.1
192.00563	0.3
195.04437	0.5
198.03041	0.4
199.03952	1.2
200.04373	1.5
201.02010	0.5
201.05542	2.3
202.02293	0.9
203.03426	0.8
204.03880	0.5
205.05055	0.5
206.99355	5.5
208.00125	3.1
211.04005	2.6
212.04474	0.6
213.01939	1.0
213.05568	0.7
215.03473	2.9
216.03835	1.2
217.04819	0.4
227.03442	3.1
228.03831	3.8
229.01445	0.4
229.05038	3.9
230.01888	1.0
239.03456	0.6
243.02888	2.6
244.03284	8.8
245.04514	15.9
246.04843	1.1
255.02899	6.1
256.03317	14.6
257.04575	3.4
266.02325	0.5
271.02466	3.4
272.02811	34.9
273.04041	24.2
274.04410	1.4
283.02444	2.5
284.02560	0.4
300.02301	1.0
301.03311	100.0
302.03595	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	0.4
55.84417	0.2
58.00597	0.2
59.01378	2.1
62.89189	0.2
68.01414	2.7
70.85888	0.6
71.01377	0.6
72.99290	0.2
78.28922	0.2
84.09322	0.2
89.78616	0.2
95.05025	0.3
96.04572	0.6
109.01681	0.2
109.02943	0.8
110.06136	0.4
116.07154	0.3
122.02496	0.9
122.06123	0.3
123.03262	6.2
124.07671	1.1
134.82971	0.2
136.07681	0.8
137.04849	0.9
138.05602	100.0
139.05952	3.2
143.11986	0.2
150.05577	0.4
152.03552	0.4
152.07188	1.8
152.88139	0.2
163.00348	0.5
166.08720	0.5
167.01703	1.0
167.05862	2.3
168.02031	1.6
168.05257	0.2
168.06650	0.8
169.01326	0.4
180.06654	5.6
187.58839	0.2
209.00972	0.3
210.07729	0.6
212.00993	0.4
212.04353	0.2
212.95360	0.2
222.07649	0.3
240.08806	0.3
256.03305	0.3
285.03589	0.8
300.02377	0.6
300.05667	0.6
300.10870	17.5
300.19269	0.6
301.03537	0.7
301.11084	1.0
301.16611	0.4
301.21893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01386	1.0
65.00317	0.6
71.01408	0.3
71.39356	0.2
71.39692	0.4
71.47021	0.2
74.77116	0.2
75.00889	0.3
81.03453	4.1
83.01378	2.4
83.19727	0.2
95.05027	0.5
96.02108	0.2
107.01369	0.5
108.24054	0.2
119.16568	0.2
123.04524	29.6
124.04850	1.0
125.02438	5.7
128.55902	0.2
133.23891	0.2
146.64175	0.2
149.02490	0.5
151.00357	2.4
153.00153	0.3
155.03749	0.2
163.04039	0.4
167.03488	100.0
168.03835	3.7
199.04073	0.3
201.01938	0.5
203.03421	0.2
207.97803	0.2
209.04469	0.6
211.04289	1.2
212.04762	0.3
221.31279	0.2
227.03482	0.5
231.03043	0.4
239.05681	0.2
240.04202	0.5
243.02943	0.3
255.02884	0.4
255.06445	0.4
271.02484	3.7
272.02914	0.3
284.03278	3.0
295.35657	0.2
299.01895	2.8
299.05524	2.0
299.10629	0.4
299.14896	0.4
300.02469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0924
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
54.34221	0.8
59.01372	5.1
63.38050	0.7
71.32522	0.8
83.05011	1.4
98.20644	2.6
125.04296	0.8
137.02449	1.0
150.83687	0.8
174.99297	1.3
185.06036	1.6
190.99850	2.6
199.03897	1.3
200.04807	2.1
211.03917	1.2
212.04697	1.7
213.05531	2.9
217.00226	2.0
227.03465	3.0
228.04189	2.5
239.03452	2.1
240.04311	6.2
241.05058	8.1
255.03099	3.0
255.06596	86.0
256.07327	41.9
257.07651	2.2
267.06601	3.7
269.04434	2.9
283.02463	3.3
283.06064	20.1
283.76755	0.9
284.03201	55.7
284.06729	11.7
285.03534	4.9
299.02121	2.0
299.05569	36.7
299.09192	100.0
300.05823	2.8
300.09500	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.4
58.54358	0.3
59.01369	1.3
59.85291	0.3
65.34731	0.3
68.01400	0.7
69.71358	1.7
71.01373	0.5
83.01404	0.3
85.02947	0.3
88.04042	0.9
89.02438	0.5
89.65648	0.3
93.03433	0.6
94.03831	0.3
98.11637	0.3
98.20615	0.6
109.02924	0.4
113.02475	0.4
115.08797	0.3
122.02487	0.7
123.03266	9.7
124.07675	0.3
124.27321	0.3
127.05157	0.3
129.10371	0.4
135.04501	0.3
137.02455	1.4
137.04840	0.8
138.05605	100.0
139.04041	2.3
139.05952	3.1
152.07132	0.7
165.04346	0.6
179.03447	0.3
180.06659	2.5
191.03413	0.3
196.14630	0.6
214.15706	0.5
222.21152	0.3
224.41492	0.3
257.04819	0.3
285.03677	0.8
300.05911	0.6
300.10880	6.7
300.15649	1.8
301.03458	0.5
323.87283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
58.00585	2.1
59.01377	79.1
69.66044	5.4
70.33447	1.3
71.01379	38.8
72.99277	2.0
73.02967	1.1
80.58367	1.2
85.02934	6.0
86.75756	1.1
87.00888	1.8
88.05209	1.2
89.02440	37.5
91.81047	1.2
93.03454	28.3
95.01392	4.2
98.19975	1.9
101.02435	23.1
111.55450	1.3
113.02442	15.0
117.61209	1.1
119.03490	13.4
121.02956	3.0
131.03484	1.4
136.01671	7.9
137.02437	95.4
138.02777	3.0
143.03462	2.1
147.64874	1.4
149.02414	3.1
151.04031	6.4
159.22229	1.2
179.03481	46.2
180.03743	2.6
209.04572	5.6
209.41739	1.2
239.05603	21.6
240.06049	1.4
254.86530	1.2
284.03110	2.9
299.07721	100.0
300.08035	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	299.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01699	0.9
69.57398	2.4
89.27224	0.4
98.19897	0.9
103.59418	0.5
157.03554	7.4
159.01544	1.6
201.02542	84.5
202.02731	6.5
220.08115	0.5
259.45755	0.5
284.03159	1.2
299.05716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44180	0.6
53.80149	0.6
55.07877	0.6
58.89479	0.6
59.01364	2.5
65.00323	2.6
71.50231	0.7
71.52587	0.9
72.41396	0.5
83.01380	100.0
84.01710	1.8
84.35488	0.5
93.03447	0.8
100.89364	0.7
103.05550	0.6
105.03472	0.7
106.16090	0.6
108.02190	0.6
119.05029	0.8
121.06586	2.8
130.04202	1.7
133.02905	1.0
134.00208	0.6
135.04483	0.7
136.04858	0.9
137.06015	0.6
138.05562	0.8
144.05736	0.6
145.06586	6.8
146.03679	0.8
147.04503	16.9
149.02408	1.2
151.00363	1.7
159.04451	1.2
161.06050	1.4
174.03073	0.6
177.01910	1.1
178.99860	1.0
183.47893	0.7
185.06027	1.1
185.17346	0.6
188.04738	1.0
189.05554	62.0
190.05902	2.4
190.99878	2.0
198.03232	0.9
199.03926	1.1
200.04836	0.8
211.03969	1.2
211.07617	3.8
212.04858	1.2
213.05551	15.8
214.05984	0.6
215.03481	9.9
227.03442	1.7
227.07008	0.6
229.05122	1.2
231.06529	1.2
240.04254	4.0
243.02930	3.4
255.02925	4.9
255.06618	15.4
256.07040	0.9
257.04514	1.2
271.02466	12.8
271.05560	1.2
283.02484	1.3
284.03235	24.3
285.03650	2.0
299.02161	3.6
299.05563	48.3
299.11102	2.7
299.18723	1.2
300.02704	14.9
300.05942	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	297.0977
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
59.01376	16.5
61.98819	2.2
69.15594	1.1
71.01371	2.5
71.04339	1.1
71.53173	1.9
79.35589	1.3
83.01384	3.1
89.02438	1.5
101.02429	1.8
111.00918	1.2
113.02425	1.8
122.06125	1.5
134.06096	8.8
135.04453	1.3
137.02420	3.4
141.01938	4.6
150.03230	2.7
150.05481	1.7
153.01929	17.1
154.02200	1.2
165.05563	1.5
167.10672	1.2
178.02704	4.5
179.03517	3.3
181.01265	1.4
182.02225	1.5
191.03514	1.8
191.07146	1.4
193.08714	1.2
207.06604	62.5
208.07013	3.8
209.08151	1.2
211.09711	2.3
211.13449	2.7
222.01686	2.3
223.09714	2.2
223.13448	1.3
235.06114	4.4
235.20668	1.1
236.06779	2.2
237.09743	1.8
239.09216	1.1
251.09251	33.5
279.08713	100.0
280.09070	7.3
297.04416	1.3
297.09763	10.5
297.12540	3.0
297.17068	2.3
297.24460	5.6
297.27396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43560	1.0
59.01363	3.1
63.26980	1.1
71.00668	2.3
75.49983	1.0
78.78201	0.9
79.24493	0.9
81.03465	1.1
83.01395	1.4
96.95990	1.7
99.00920	1.3
109.02940	4.2
110.02468	1.9
123.04490	2.0
134.02461	1.5
136.00360	3.2
136.04030	10.5
138.01953	1.0
146.99112	0.9
152.03528	49.9
153.03821	2.6
166.01469	1.1
166.02666	2.3
167.03468	9.8
180.03015	100.0
181.03795	39.9
182.03534	1.1
182.04297	1.0
198.71530	1.0
207.10231	3.1
222.11523	1.1
224.05626	34.3
225.05930	1.8
235.09766	2.4
250.10748	1.2
278.10284	7.7
296.15216	2.7
297.09747	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	296.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98836	0.7
69.49809	1.2
69.50224	2.1
81.03432	0.9
83.01366	1.5
96.00880	0.6
97.06572	1.1
108.04535	0.6
109.02931	3.2
110.02483	1.5
123.04524	2.6
134.02457	2.3
136.00421	2.6
136.04037	10.6
138.01971	1.7
139.02771	1.0
141.05905	0.5
152.03522	44.7
153.01900	0.7
153.03885	1.9
158.69972	0.5
165.00679	0.9
166.02696	2.2
166.08836	0.6
167.03488	8.1
180.03014	100.0
181.03796	42.7
182.04131	1.8
207.10318	1.0
222.11310	1.3
224.05635	31.4
225.05888	1.3
244.51321	0.5
250.10835	2.2
278.10345	7.7
296.11322	0.6
297.09613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.6
62.25835	0.4
69.84743	0.5
70.33879	0.8
70.34217	0.6
71.01378	3.0
72.99300	5.2
73.02940	0.7
74.49660	0.4
75.00872	2.1
78.95898	0.4
83.01371	1.0
85.02959	1.3
88.98792	1.5
89.02444	2.6
99.00897	1.1
101.02428	1.7
105.01926	100.0
106.02268	1.0
111.00875	0.7
112.98800	2.2
113.02438	1.5
118.05093	1.0
119.03478	1.7
134.37625	0.4
135.02908	0.6
135.04521	0.8
135.06642	1.0
142.99838	2.0
161.04579	0.9
173.00874	1.4
179.05545	0.9
237.09718	0.8
238.85536	0.5
270.82742	0.4
279.08740	1.8
297.12024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0978
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
51.85397	0.6
57.03438	3.0
66.62911	0.6
69.03431	0.7
69.73802	3.7
71.97258	0.6
81.03420	1.0
83.00923	0.8
83.01376	11.3
85.02927	2.9
93.03381	0.7
93.83971	0.6
95.01353	2.4
95.05002	1.2
97.06587	3.8
98.00079	1.1
98.20634	1.2
99.04468	1.0
107.05023	4.2
109.02936	1.6
109.06589	3.6
111.00872	1.0
119.21176	0.7
121.06577	1.1
123.04482	2.4
123.08144	1.4
135.04475	2.0
136.01628	1.5
137.02426	5.8
143.25000	0.7
147.08138	1.4
149.06076	3.1
151.03964	2.3
151.07635	8.5
153.01892	1.5
155.03447	1.8
163.07614	1.8
163.23151	0.7
165.05495	0.9
165.09297	0.9
175.07486	1.6
177.05469	1.2
179.03589	1.3
181.01393	2.8
182.02194	17.6
183.06569	2.0
189.05499	1.9
189.09175	1.0
191.03401	0.9
191.07124	4.4
191.10701	1.1
193.04984	0.9
193.08598	1.2
195.06508	2.0
201.93384	0.9
203.03564	1.0
204.04111	0.9
205.08791	0.8
207.06613	1.2
207.10175	1.2
215.07251	0.8
217.08650	2.3
218.05641	1.0
219.06555	1.4
232.03711	2.4
233.08083	2.5
235.06088	6.1
235.09782	2.6
237.07677	1.0
243.06490	0.9
261.07675	2.7
279.08707	100.0
280.08990	5.5
297.09763	74.2
297.24240	0.7
298.10150	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	295.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.6
61.98816	1.6
71.01415	0.5
71.52184	0.6
99.92606	1.8
142.48587	0.5
165.12843	0.6
183.13896	15.3
184.14198	0.6
195.13884	12.3
196.14253	0.8
213.14951	100.0
214.15321	5.0
223.13100	1.5
235.08128	0.6
235.13176	2.5
237.11014	1.1
267.12143	1.7
279.12155	2.2
282.81757	0.4
295.06256	0.7
295.15295	12.3
296.07043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01387	3.5
76.24618	0.4
86.64713	0.4
87.91282	0.5
97.06583	0.6
98.19909	1.6
99.92538	0.6
107.17424	0.4
113.09706	2.3
144.60294	0.5
179.14362	1.5
195.13887	17.1
196.14194	1.1
214.19623	0.5
277.21704	17.2
278.22067	1.6
295.22754	100.0
296.23074	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	295.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.57289	0.7
71.01376	3.7
83.01405	2.2
85.02949	1.6
87.00850	0.8
87.48707	0.7
89.02431	1.0
93.03474	2.1
97.02953	0.7
101.02454	2.0
111.00867	1.2
113.02413	1.1
115.00381	4.2
119.05026	2.2
123.04497	1.0
126.42515	0.7
133.01448	2.3
135.04572	1.1
137.06100	0.9
143.05019	1.1
145.02992	0.8
145.06651	1.8
147.04544	1.1
150.54048	0.8
153.01962	1.0
154.99857	5.3
156.00658	2.4
161.04530	1.4
161.06053	0.8
163.04033	1.7
163.07697	3.3
173.06139	2.5
175.02493	2.8
175.03946	1.1
179.52846	0.9
182.79700	0.8
189.05545	1.1
191.07149	8.2
196.65446	0.7
203.71924	0.8
205.05017	1.0
233.08156	0.8
235.11780	4.4
253.07112	4.3
295.05002	1.2
295.08243	10.0
295.13187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0819
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
54.77625	0.5
57.03445	3.9
59.01377	5.0
67.01891	0.9
71.01377	2.9
72.99310	0.9
78.89301	0.5
83.01381	21.2
84.01633	0.5
85.02950	3.2
89.02419	0.6
93.03431	0.5
93.07079	0.5
95.01414	1.0
95.05009	0.8
101.02383	0.9
107.05029	0.8
108.02169	0.5
109.02951	0.9
115.00371	6.7
121.06591	3.9
123.04543	0.7
123.08157	13.7
124.08453	0.6
125.02470	0.5
131.03688	0.7
133.01428	19.0
135.04494	3.1
135.08234	0.5
137.02451	4.0
137.09743	0.6
138.50093	0.6
139.03986	0.9
139.07620	1.8
145.06573	0.6
146.07341	0.6
147.08150	2.4
149.06075	4.0
151.03949	1.8
155.03435	1.1
156.01910	0.5
160.05255	0.6
161.02490	0.5
161.04567	0.4
161.09720	2.0
162.03183	0.7
163.03975	1.7
163.07655	2.4
163.11250	0.8
165.05672	0.5
165.09233	5.2
167.07123	7.9
169.43843	0.5
172.05211	0.7
173.06042	0.8
174.06839	1.0
176.04837	0.5
178.06354	0.9
179.03523	1.9
179.07181	0.6
182.02177	4.3
189.05521	0.6
189.09172	5.0
190.06302	1.0
191.07104	4.9
203.03513	0.5
204.04301	3.3
205.08644	2.7
207.10233	4.6
209.08156	0.7
214.41064	0.4
215.07077	1.2
217.05016	0.6
231.06937	0.4
233.08163	20.0
235.06009	1.3
251.09230	8.9
252.09537	0.6
277.07220	1.1
295.08194	100.0
296.08542	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
60.99304	13.2
71.01357	3.5
72.99281	1.2
73.55854	1.1
78.95892	1.7
79.28625	1.3
80.33961	1.2
87.00855	1.7
88.98804	100.0
89.02433	3.9
100.40238	1.2
103.00365	1.9
112.98782	1.8
113.02399	1.6
115.00337	2.8
119.03508	1.1
119.04996	4.4
133.01454	4.7
149.00778	2.1
163.04060	7.3
163.05237	1.7
179.03477	1.4
188.89455	1.2
196.45047	1.2
295.10330	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	295.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88882	0.5
57.03441	2.9
59.01374	3.9
65.22221	0.5
69.67048	3.3
71.01389	2.7
72.99293	0.6
83.01386	19.0
85.02940	2.8
87.59738	0.5
92.60612	0.5
93.07064	0.7
95.01362	1.1
95.05015	0.9
99.04474	0.6
107.05002	1.7
109.02918	0.8
111.74923	0.5
113.02444	0.9
115.00366	7.0
119.05051	0.6
121.06576	3.3
123.04536	0.7
123.08156	14.1
132.04092	0.6
133.01427	18.5
135.00890	0.6
135.04536	2.9
137.02419	3.2
137.06039	0.7
138.03253	0.5
139.07611	2.6
147.08167	2.7
149.06065	4.4
151.04044	1.0
153.01942	0.5
155.03482	0.9
160.05316	1.2
161.09683	1.6
163.04018	1.8
163.07646	2.2
163.11270	0.9
165.09193	6.4
167.07126	7.9
169.03523	0.5
171.62216	0.5
175.03976	0.6
177.05482	0.7
177.09253	0.7
178.06355	0.9
179.03508	1.9
179.07036	0.6
179.10739	0.7
181.01376	0.5
182.02180	4.2
187.07594	0.7
189.09204	5.9
190.06372	0.9
191.07196	4.7
201.77498	0.5
204.04283	3.6
205.08687	3.5
207.10286	3.8
209.08110	1.1
233.08171	20.9
234.08417	0.8
235.06116	1.5
251.09254	7.7
277.07123	0.8
295.08194	100.0
296.08490	5.1
298.49466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45260	0.7
59.01371	1.0
59.76757	0.6
65.00291	0.7
65.99841	1.0
69.66081	1.2
69.66496	2.2
75.85125	0.5
81.03454	1.5
82.02990	1.0
83.01390	2.0
88.80773	0.5
98.19985	1.0
109.02940	3.6
110.02463	1.9
113.06085	19.6
114.06423	0.8
123.04527	5.6
125.02413	1.4
134.02466	2.5
136.00385	4.0
136.04051	10.5
150.05618	0.9
152.03529	55.3
153.03899	1.5
166.02786	0.8
166.05095	7.7
167.03490	13.5
180.03017	100.0
181.03470	5.0
192.02948	1.5
194.04594	4.9
194.06221	0.8
222.04073	14.0
251.49571	0.7
276.08664	0.9
294.09882	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.24165	0.6
59.01364	1.2
59.36377	0.9
69.03500	0.7
70.81734	1.1
70.82063	0.9
74.36628	0.6
75.18958	0.7
98.19946	0.9
105.70888	0.7
167.10701	0.8
195.13902	12.1
196.14529	1.7
223.13371	10.9
224.13924	0.8
228.13600	2.0
256.13150	4.4
275.20154	8.3
293.21219	100.0
294.21497	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09845	0.5
54.26099	0.5
57.03445	4.8
59.01373	3.9
61.98812	0.7
69.33176	4.2
70.13698	0.6
71.01390	0.6
83.05024	0.7
85.06569	0.7
96.95953	1.1
97.06611	0.9
113.09725	17.2
121.10255	5.5
123.08160	0.6
124.64356	0.6
134.59618	0.7
139.11295	2.3
149.09747	0.7
167.10765	2.2
171.10269	13.2
177.12874	1.0
177.36897	0.6
179.10770	2.1
193.15979	0.9
195.13902	3.6
205.12260	0.7
220.14679	1.3
221.15417	2.9
231.21117	1.8
235.16895	1.3
236.10506	1.7
244.13991	0.6
249.22229	1.7
275.20148	14.7
275.23175	0.8
276.20425	0.9
293.21210	100.0
294.21588	6.6
296.72504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
57.42014	0.6
59.01378	3.7
60.19488	0.7
65.00303	1.2
65.48621	0.7
67.01868	1.6
69.03436	0.7
69.57506	0.6
70.68509	2.1
71.01347	1.3
80.98819	0.6
81.03445	11.8
83.00916	1.4
83.01375	14.7
83.78973	0.6
84.04543	13.8
86.95426	0.8
92.95380	0.6
93.03465	1.1
95.01332	0.7
95.05035	0.7
96.04520	3.0
100.91769	0.7
108.04521	1.4
115.00367	1.7
121.02982	5.1
122.06143	3.7
123.04531	1.3
124.04032	1.4
125.02428	1.7
128.03503	1.2
131.03705	1.5
133.01427	4.4
135.04474	2.4
136.03981	1.1
138.05565	4.6
140.07175	9.4
152.03493	1.0
163.07709	0.7
164.03436	0.7
164.07152	21.9
165.85594	0.7
166.05080	29.2
167.05519	0.7
167.07127	0.9
175.02444	1.0
180.02942	0.7
180.40491	0.7
181.03719	0.8
182.08099	1.1
184.06189	1.5
188.07152	2.5
194.04491	0.9
204.04221	0.8
206.08195	75.8
207.08591	3.8
207.10271	0.8
208.06133	13.3
209.06529	0.9
226.07095	1.2
233.08125	0.9
234.04085	1.5
250.07175	100.0
251.07411	6.5
252.04999	1.1
276.05209	1.0
291.26340	0.7
294.06189	79.2
295.05884	1.4
295.08139	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	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.68187	1.3
56.26671	1.3
59.01372	3.8
60.45452	1.3
60.61098	1.2
62.72164	1.7
69.79892	1.1
70.73055	4.0
102.74146	1.4
107.91856	1.3
116.35093	1.1
116.51982	1.2
120.39925	1.3
121.10231	34.5
125.09710	1.8
127.11346	1.5
128.81604	1.4
171.10262	65.6
172.10687	2.7
183.13876	2.1
185.11800	4.2
221.15472	1.4
231.20978	3.9
249.97932	1.4
275.20142	100.0
276.20566	9.8
293.21225	66.5
294.21558	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11945	0.2
56.14872	0.2
57.61430	0.2
59.87553	0.2
60.30098	0.2
69.72415	0.4
69.72827	1.0
71.01382	8.1
76.03210	0.2
112.98594	0.4
121.10605	0.2
127.07668	0.8
148.05246	1.1
151.07623	0.4
164.08412	1.1
177.09216	4.9
190.09995	0.2
192.11549	6.6
193.12032	0.6
197.26474	0.2
205.12326	6.9
206.12729	0.4
207.13852	1.2
217.08640	0.6
218.09468	1.8
220.14662	47.2
221.15440	100.0
222.15802	5.8
223.13422	0.3
235.13316	1.1
236.10513	68.7
237.10905	4.7
293.17572	11.1
293.21149	2.8
294.17908	0.7
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	Sterebin D
Peak:m/z	Relative Intensity
57.03419	1.6
59.01373	7.8
61.98814	5.9
64.10883	1.7
65.76871	1.9
68.99564	2.9
71.01376	3.6
71.51980	2.0
78.95863	2.3
82.21857	1.7
87.00931	1.4
96.95997	4.0
105.49400	1.5
112.98559	4.0
136.08914	3.8
151.11194	2.3
158.49704	1.7
192.11514	3.5
193.15924	6.1
197.11826	35.5
197.15475	1.7
220.14619	12.8
221.15486	25.8
222.15533	1.7
236.10518	18.0
249.18547	2.8
265.25070	1.8
275.20145	22.5
293.17679	16.1
293.21149	100.0
294.21460	7.3
297.57697	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	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01371	0.7
59.12727	0.3
60.11372	0.3
65.98304	0.2
70.26492	1.2
71.01370	0.3
80.02675	0.3
81.03460	0.8
85.99776	0.3
88.50288	0.3
96.96007	0.6
100.32839	0.3
136.08965	0.4
149.09677	0.6
154.87790	0.3
155.50534	0.3
165.12958	0.3
179.14409	0.3
181.15929	0.5
183.50995	0.3
191.14371	0.7
192.11525	0.6
193.15935	0.9
195.13876	0.6
205.01384	0.4
220.14642	1.9
221.15417	3.5
223.13379	1.0
225.14862	1.8
236.10469	2.1
249.22211	1.3
275.20074	1.4
293.21201	100.0
294.21509	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
57.03453	1.1
58.00587	3.7
59.01378	100.0
69.64222	2.0
69.64622	5.8
71.01379	53.8
72.99309	3.1
73.02940	1.8
83.01389	3.3
85.02953	10.5
85.06606	1.3
87.00854	2.6
88.04018	2.0
89.02441	69.3
95.01398	4.1
100.42639	1.0
101.02441	38.1
101.06088	2.2
102.98546	1.2
103.41422	1.2
113.01722	1.8
113.02451	23.5
113.06076	3.3
119.03498	32.6
131.03499	3.2
131.07138	5.9
132.03017	4.0
143.03479	3.5
146.17793	1.0
149.04581	2.0
161.04547	2.6
179.05623	3.1
232.04446	1.1
284.54855	1.1
293.12418	78.0
294.12781	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	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92143	6.9
59.01354	18.3
61.98816	21.9
66.72832	6.8
68.99572	19.4
71.01382	8.4
71.21711	12.3
89.65006	6.5
90.26029	6.1
91.05529	100.0
95.66505	6.8
96.96001	8.0
97.06573	83.6
112.98566	25.3
119.05022	54.0
135.04556	20.2
153.01944	7.2
153.24394	6.8
163.03979	97.6
189.12811	68.8
221.15291	12.4
236.10555	8.0
261.11334	43.5
269.17358	7.6
293.04514	24.7
293.13907	15.9
293.21173	25.4
314.66315	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50470	0.4
54.32759	0.5
55.01883	0.5
57.03470	0.5
58.00574	1.5
59.01377	39.4
62.16806	0.5
65.45766	0.4
71.01376	16.4
72.01717	0.5
72.99301	1.7
73.02921	1.1
75.00876	0.5
83.01385	1.9
85.02942	4.0
85.06586	14.2
87.00870	1.3
88.92539	0.4
89.02441	20.4
95.01360	1.4
101.01806	0.8
101.02438	12.8
102.98637	0.5
113.02448	7.5
113.06074	3.0
115.07649	2.5
119.03506	7.9
125.02480	0.5
127.07653	1.5
129.09167	0.6
131.07133	61.5
132.07469	1.6
161.04512	0.9
164.03532	0.7
164.07237	0.5
173.08179	1.6
179.05576	0.9
200.15431	0.5
203.73294	0.4
250.07216	0.6
293.12408	100.0
294.06168	0.6
294.12769	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1916
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.74877	0.4
53.34924	0.4
58.02977	0.9
59.01378	4.0
68.99569	0.5
71.01388	0.6
71.40293	0.6
80.57388	0.4
91.49151	0.4
95.13372	0.4
112.98566	0.5
130.07751	0.4
156.13922	100.0
157.14276	3.7
192.11647	0.4
194.01840	0.4
200.12885	4.7
214.91125	0.4
220.14708	2.2
221.15469	4.6
233.10335	0.5
236.10519	3.3
292.19992	2.9
293.17706	1.2
293.21243	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.5
59.01378	2.5
61.98812	0.8
70.56808	1.0
70.94408	0.3
71.01363	0.8
83.01353	0.3
98.08695	0.3
98.30759	0.3
100.70448	0.3
115.51194	0.3
118.72506	0.4
156.13934	100.0
157.14302	3.7
163.50546	0.4
183.17946	0.4
200.12898	5.3
217.07236	0.4
220.14645	1.9
221.15440	5.2
222.84877	0.3
233.10127	0.7
236.10524	4.0
288.73581	0.4
292.19748	1.8
293.17599	0.9
293.20847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1031
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01875	2.1
57.03435	5.3
57.06496	1.5
59.01389	9.1
61.17516	1.4
67.62479	1.4
69.03455	2.4
71.01375	7.3
71.52398	1.5
73.02953	4.7
79.05524	1.6
79.43779	1.3
81.03436	2.4
83.01376	3.8
83.05022	4.4
85.02959	8.1
89.02458	2.1
93.03438	2.7
94.04237	1.6
95.01370	1.7
95.05025	11.3
95.46360	1.4
97.02951	18.2
97.06578	1.7
99.00839	2.0
99.04523	1.9
101.02449	7.3
105.07119	1.7
107.01371	1.9
107.05002	7.6
108.02164	2.1
109.02960	15.9
109.06602	10.3
111.04530	20.0
111.08160	3.4
113.02457	3.8
119.08623	1.7
121.06566	9.4
122.03738	57.3
123.04523	3.7
124.05308	32.1
125.02428	4.2
125.06084	7.9
125.09692	2.0
135.04526	12.9
135.08107	1.6
136.05357	8.0
137.06090	31.9
138.06888	20.1
139.07649	100.0
140.07976	3.9
145.02925	5.5
145.10271	2.9
147.08163	2.9
149.06079	2.0
150.06918	2.7
153.01872	2.1
157.06561	1.7
161.04483	4.1
162.06903	1.6
163.07625	3.0
163.11281	8.1
169.10272	1.8
171.08176	12.2
172.08804	2.0
174.06920	1.6
175.07582	2.6
177.12830	2.5
178.99797	1.3
182.04578	2.7
185.09700	6.6
187.11281	73.7
188.11629	2.4
189.09174	8.2
190.09950	13.4
203.10666	1.9
205.12332	46.7
206.12682	3.6
221.15422	2.1
231.10277	15.6
232.10719	1.7
249.11313	30.6
250.11562	3.1
293.07074	2.9
293.10294	64.6
293.21112	1.8
294.10632	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	292.0859
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
59.01372	1.2
61.72450	0.3
68.02534	100.0
68.99548	0.4
69.02255	0.5
69.02871	0.6
71.51818	0.4
78.23323	0.4
79.95758	0.6
80.83369	0.3
85.88142	0.4
112.98556	0.7
123.61454	0.4
126.99567	2.4
141.98232	0.5
147.45497	0.4
152.08319	1.1
156.13951	0.4
214.84029	0.4
220.14682	0.9
221.15448	1.7
236.10573	1.3
292.06006	0.6
292.08862	0.9
292.19873	0.5
293.17957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1191
Annotation	Chlorantene B
Peak:m/z	Relative Intensity
51.14589	1.3
51.66400	1.1
57.43640	1.0
59.01369	2.2
59.37296	1.1
59.38952	1.2
61.98836	1.5
62.15274	1.2
68.42239	1.2
71.53135	1.7
71.69080	1.3
83.01391	3.8
88.84347	1.1
89.15862	1.2
92.01749	1.2
95.78552	1.1
98.73582	1.4
99.52687	1.1
104.40313	1.4
112.98563	2.5
116.77904	1.2
136.95222	1.3
173.06100	1.4
175.03972	2.2
179.03410	3.1
181.08472	1.2
189.04286	4.7
190.05067	3.5
205.04993	3.8
216.03023	5.4
216.10263	4.5
217.05338	14.1
232.06140	77.8
232.09874	4.9
233.04422	1.6
233.06438	3.5
244.06151	2.6
245.06911	51.0
246.07291	2.9
260.06601	3.3
260.09241	72.2
261.09543	3.9
277.09601	2.3
292.09021	4.0
292.11893	100.0
293.12274	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	292.1554
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
55.01871	3.1
59.01379	3.4
60.03319	2.1
60.99311	10.0
61.98826	2.5
71.05004	4.5
71.22762	3.6
79.05513	2.2
83.01414	3.2
88.41872	1.9
94.06619	2.7
112.98608	2.8
119.07399	2.7
120.08224	2.2
132.08203	2.6
134.09752	92.5
135.74879	1.8
141.16873	1.9
146.09700	3.4
148.11295	7.3
150.09151	1.9
160.07643	5.0
171.10435	3.0
174.09319	2.4
174.12846	8.9
182.02206	2.2
184.11147	3.0
186.09326	2.7
186.12872	62.1
187.13123	3.4
189.11552	25.4
190.12372	18.8
197.11992	2.1
204.13919	93.4
205.14255	6.9
212.14442	12.9
230.15472	100.0
231.15741	5.6
248.12917	61.2
248.16563	10.7
249.13416	3.0
292.15479	21.4
292.20154	3.2
293.13968	3.8
293.21143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.40963	0.5
51.51063	0.6
59.01369	0.8
61.98831	1.7
69.91199	2.4
73.02943	46.7
73.50796	0.7
79.95695	0.8
132.84328	0.5
133.74808	0.5
181.71069	0.5
184.33687	0.6
216.39413	0.5
266.07410	0.6
267.57739	0.6
291.06696	2.6
291.19644	100.0
292.20001	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01381	1.5
61.98839	1.0
65.00328	1.5
65.99836	2.0
71.52485	0.9
81.03451	13.1
82.02993	1.5
83.01381	14.6
83.05013	1.2
88.76412	0.8
94.06624	3.5
104.22031	1.0
107.20245	0.9
108.04530	1.5
109.01694	1.0
109.02946	2.2
110.02480	1.5
111.04506	4.7
120.08177	1.9
121.02938	0.9
123.03218	2.0
123.04516	7.7
124.01676	1.6
125.02419	3.3
134.02470	3.8
136.00392	2.4
136.04019	5.2
137.02422	1.5
138.01947	2.6
138.03177	1.5
139.02696	2.5
146.02463	1.1
146.06128	1.1
148.03995	1.6
149.60625	0.9
150.01813	0.9
151.00336	1.7
151.02744	2.7
152.03537	27.6
153.01909	3.9
155.02199	3.9
158.09746	1.3
160.07651	1.4
162.01994	2.1
162.09190	4.0
163.02708	1.8
164.03505	1.3
164.07127	4.9
165.00642	2.5
166.02682	8.8
167.03484	19.6
174.05687	1.1
176.10783	1.5
178.08722	2.7
179.03557	1.5
180.03026	55.2
181.03799	96.3
182.04257	2.9
186.09143	1.5
188.07155	3.9
192.02989	3.7
193.87761	0.9
194.62805	0.9
204.10298	10.6
206.08203	8.4
215.05850	1.6
218.04575	5.9
219.05289	4.2
220.09787	11.8
230.08281	5.6
232.06183	1.8
248.09259	100.0
249.09720	4.7
262.07294	1.2
292.08295	23.1
293.04495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03467	0.3
57.67642	0.2
58.68325	0.2
59.01360	0.4
61.98808	0.3
69.77939	1.3
93.03439	0.3
97.06567	0.7
110.14291	0.2
117.07928	0.2
118.01913	0.2
119.05013	0.6
121.02945	0.3
125.06064	0.6
126.61192	0.2
141.09166	0.3
148.08919	1.7
149.09680	0.4
150.10472	1.0
150.86742	0.2
151.11227	0.5
163.11249	1.3
165.12836	20.8
166.13167	0.8
169.72906	0.2
171.36424	0.2
175.11163	0.3
176.11993	0.6
177.12791	0.3
179.14351	0.4
191.14357	0.8
201.70854	0.3
217.15820	0.5
229.19566	0.3
245.18956	0.4
247.20642	11.1
248.21040	0.5
273.18579	6.3
274.19031	0.5
274.68579	0.2
287.45551	0.2
291.19632	100.0
292.20001	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	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
58.33350	2.8
59.01376	4.2
59.13247	2.3
60.07369	2.5
61.98824	9.2
71.01382	2.8
86.55213	2.7
95.04994	2.5
97.06587	91.7
97.07219	5.0
121.77214	2.6
125.73914	2.0
183.13834	2.9
193.12303	27.9
194.12930	4.1
211.13390	61.6
263.20209	4.2
273.18665	3.7
291.06604	5.9
291.19647	100.0
292.19980	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
58.51782	0.6
59.01375	3.2
60.65118	0.5
70.66332	1.5
81.71778	0.6
83.05015	0.9
87.61777	0.6
91.93407	0.5
93.78251	0.5
95.05033	1.8
109.06556	0.9
111.08159	12.8
112.08442	0.6
113.09740	0.6
125.09685	1.0
137.09705	1.4
138.65779	0.5
149.09691	1.0
159.77023	0.6
167.10754	2.4
177.12819	1.9
179.10780	1.6
195.13876	7.4
220.12888	0.6
247.20544	2.8
263.20129	0.6
273.18625	2.1
291.06555	1.8
291.19635	100.0
292.20010	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	291.0661
Annotation	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
58.00591	0.2
59.01369	0.1
61.98832	0.2
69.92294	0.3
69.92688	0.3
73.02935	0.4
74.87437	0.1
119.66914	0.1
192.31049	0.1
201.07115	0.3
204.05864	0.4
219.08061	0.6
232.05252	0.7
237.95708	0.1
245.05943	0.3
246.06866	0.8
247.07616	15.5
247.20740	0.2
248.05191	0.3
248.07959	1.2
250.62845	0.1
262.06442	0.1
263.19974	0.3
273.18576	0.5
276.04263	0.3
278.05923	0.2
290.05771	0.4
291.06604	100.0
291.19598	2.5
291.23242	0.8
292.06946	8.3
292.20047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98810	1.0
71.51881	1.1
74.02462	1.2
75.68129	0.8
76.02263	0.8
81.03442	1.6
82.02975	1.7
83.01389	1.3
84.04545	2.2
85.02966	1.1
91.82636	0.9
93.03448	0.8
95.05047	3.0
97.02954	2.9
98.02473	3.2
98.03297	1.0
99.03400	0.9
99.05617	1.2
99.88808	0.8
101.07201	1.9
109.02954	10.5
109.04074	3.3
110.02663	0.9
110.03275	5.0
111.03437	3.5
115.00383	0.9
117.03468	9.6
119.05027	100.0
120.05378	2.9
121.02965	1.2
123.04529	7.9
124.04873	3.3
125.02460	5.0
125.03458	0.9
125.04987	2.9
126.02760	3.5
127.02940	3.7
127.05133	30.8
128.03542	20.8
129.91281	1.0
135.04495	0.9
137.02475	2.6
138.02835	2.0
139.02969	1.7
144.04514	1.0
145.02954	60.2
145.06180	33.2
146.03273	1.9
149.02498	1.6
150.02881	0.8
151.04028	2.1
152.04271	1.0
153.03111	1.2
153.04514	1.7
161.06189	1.4
161.96330	0.9
162.05594	2.3
163.06693	1.6
164.07204	1.3
165.01872	1.0
171.04108	12.7
175.02544	1.0
176.02876	0.9
177.02878	1.8
180.03841	1.3
181.04056	1.6
187.04024	1.1
189.04472	0.9
190.05394	0.9
191.08211	6.0
193.91405	0.9
203.07114	2.4
204.07176	1.8
205.05049	1.1
205.07719	3.7
207.05594	2.4
212.44679	0.8
223.08664	1.4
228.07001	1.1
245.08081	2.7
246.08472	1.1
247.08717	8.6
247.10876	0.9
273.09021	5.9
291.07703	40.2
291.10043	11.8
292.07761	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	289.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.2
71.51975	5.7
130.98087	11.0
157.12318	16.2
185.11847	16.7
191.00194	13.0
203.12872	100.0
203.47437	5.2
245.13893	12.0
289.07193	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
65.71711	1.3
71.22115	1.4
83.01367	1.5
101.80521	1.1
161.98392	1.3
198.42015	1.3
215.83737	1.3
259.06070	2.0
287.40567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0655
Annotation	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
55.35306	0.4
58.94159	0.3
59.01383	0.3
60.12978	0.3
61.98820	0.6
71.02929	0.3
73.02949	2.9
81.19263	0.3
95.49138	0.3
105.68867	0.3
147.58766	0.3
155.93193	0.3
173.23083	0.3
216.93069	0.3
219.08105	0.5
232.05298	0.9
238.42853	0.3
245.06049	0.3
246.06720	0.6
247.07628	16.0
248.04884	0.3
248.07938	1.0
262.06494	0.3
276.04251	0.4
291.06604	100.0
291.19595	7.5
292.06958	7.9
292.10019	0.6
292.20044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	2.5
59.01376	10.3
65.03970	1.8
69.03449	5.7
71.01386	16.0
71.43550	3.3
72.99306	13.8
73.02937	21.6
75.00868	85.6
78.95880	2.2
81.03450	2.7
83.01393	5.0
83.05028	28.8
85.02943	7.6
87.00874	5.6
89.02467	4.0
91.86285	1.9
93.03451	2.0
93.07066	3.1
95.05013	5.6
96.96941	4.3
97.02971	4.2
97.06571	8.7
101.02457	3.3
107.05045	2.4
108.28410	1.8
109.02947	20.7
111.00882	7.6
111.04471	2.9
111.08137	7.7
113.06116	5.4
115.00372	8.5
117.01920	2.4
120.01241	2.2
121.06604	3.1
123.04501	8.2
123.08142	3.5
125.02441	15.5
125.06080	10.0
127.04006	17.0
127.07661	12.6
135.02982	29.1
137.02429	32.8
137.06078	7.0
139.03931	2.0
139.07643	12.2
149.06038	3.2
149.65482	1.8
151.03995	32.3
152.04413	1.9
153.05511	5.0
155.07091	5.6
165.01933	2.0
167.03438	5.7
167.07124	5.5
169.05099	9.5
171.06615	100.0
172.06947	3.5
175.02469	8.6
175.70000	2.2
179.03419	1.9
183.06615	2.5
187.04015	3.5
188.04813	1.9
199.06081	16.6
201.07663	12.9
203.07109	3.4
205.05101	4.1
211.06038	14.5
221.08163	2.1
229.07127	42.1
230.07524	2.5
245.08122	7.6
289.03787	3.7
289.06854	24.6
289.16550	6.4
290.07224	2.4
292.86053	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.78254	0.5
57.03456	2.7
59.20983	0.6
64.71418	0.5
65.49985	0.6
69.03458	0.7
69.64035	3.4
70.89479	0.5
76.17756	0.5
81.03450	2.5
83.01392	2.7
93.03468	1.0
95.01408	0.7
95.05038	4.3
97.02951	6.7
98.20611	1.1
107.05009	0.6
108.02149	0.9
109.02949	25.6
109.03703	1.3
121.02962	3.0
122.03746	1.6
122.69093	0.5
123.04521	16.9
125.02451	16.1
135.04546	2.5
137.02446	8.9
138.03178	0.7
139.03995	3.4
145.02916	1.9
146.03740	1.0
147.04488	0.8
149.02420	4.2
149.40877	0.6
150.03232	1.2
151.04002	8.9
159.04539	3.3
160.05235	1.3
161.02399	1.3
161.06084	4.0
162.03183	0.9
163.03979	1.3
164.01120	2.7
165.01915	3.9
167.03445	1.5
173.06084	1.0
174.03175	0.8
175.03949	2.1
175.07628	1.8
177.05634	0.7
179.03496	8.6
180.03940	0.6
185.06036	0.7
187.03993	4.7
188.04797	3.6
199.07584	0.7
201.05518	0.9
202.06314	2.0
203.07124	12.6
205.05052	9.1
212.04860	0.8
217.08644	1.1
221.08133	4.0
227.07118	2.6
231.02774	0.8
243.55637	0.6
245.08171	26.7
246.08514	1.1
247.06078	0.9
271.06067	0.6
289.07169	100.0
290.07492	5.2
301.05597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.14480	0.8
53.62675	0.8
57.03455	4.7
66.88122	0.8
67.56464	0.8
69.47982	0.7
69.73250	1.8
69.73640	2.4
73.53288	0.8
75.00858	1.8
79.83611	0.8
81.03450	5.0
83.01401	4.9
93.03443	2.1
94.08942	1.0
95.05032	5.8
95.99487	0.8
97.02939	9.8
99.04472	1.5
108.02167	2.2
109.02948	44.0
110.03275	1.3
120.01287	1.5
121.02926	4.7
122.03732	1.6
123.04519	28.5
124.04926	1.1
125.02440	28.9
126.02777	2.0
135.04501	3.0
137.02448	15.3
138.03177	1.4
139.04021	7.7
143.05000	1.2
145.02942	2.6
146.03720	1.7
146.04782	0.9
147.04497	1.4
149.02428	6.4
150.03214	2.1
151.04007	14.5
159.04492	4.9
160.05212	2.4
161.02417	1.8
161.06070	7.5
162.03174	2.4
163.03983	1.2
164.01140	5.7
165.01926	6.0
167.03461	2.3
171.06584	1.4
173.06020	1.5
175.03995	3.9
175.07613	3.7
177.05585	1.4
179.03511	10.0
185.06047	1.8
187.03993	6.2
188.04759	4.4
189.05222	0.8
199.07645	1.1
202.06273	2.7
203.07120	18.9
204.07339	1.1
205.05008	11.7
212.04787	1.1
217.08684	1.1
221.08165	6.1
227.07120	2.0
230.05801	1.6
231.02968	1.0
244.59039	1.0
245.08167	32.9
246.08400	1.2
247.06122	1.0
261.40164	0.8
271.06030	1.7
289.07159	100.0
290.07449	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	288.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00740	2.1
59.01378	9.7
61.00754	2.3
61.98811	4.9
64.47539	2.2
68.24706	2.2
69.28754	13.8
69.29166	5.7
79.01912	2.4
79.05521	8.4
99.92580	5.8
109.02905	2.6
115.92043	2.6
122.09763	6.9
123.04523	3.2
137.02438	3.0
159.11803	4.4
162.12849	18.7
174.12827	8.6
176.14441	8.9
178.15979	9.3
194.76694	2.5
195.06660	2.5
218.19099	17.7
228.17604	6.4
244.20670	100.0
245.08046	2.8
245.20885	4.5
256.02484	6.3
265.97403	2.2
273.02759	11.6
288.05048	18.1
288.19644	50.9
289.07147	9.0
289.20172	2.7
297.99780	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	288.1968
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
57.28681	1.8
59.01367	9.2
61.98806	3.5
66.03475	3.1
71.53234	2.9
78.95897	2.0
79.05521	18.3
82.06641	3.3
99.92567	4.0
100.01989	2.3
109.02853	2.5
115.91985	2.1
122.09725	3.7
124.91131	2.0
128.31578	1.9
130.10185	2.1
139.71561	2.1
143.82399	1.9
144.08128	2.2
158.09694	2.2
159.11798	3.2
161.13365	2.9
162.12863	32.9
172.11282	5.7
174.12860	17.1
176.14407	5.0
177.93124	2.5
178.15982	4.5
203.07217	2.8
216.17444	2.1
218.19147	20.6
228.17462	3.8
242.19170	7.3
244.20671	100.0
245.08148	3.0
245.21013	7.8
288.05130	2.9
288.09058	3.1
288.19662	79.5
289.07263	10.2
289.20004	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1652
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
56.24373	0.8
56.76611	0.9
59.01368	3.9
59.78839	0.8
61.98810	1.5
83.01387	0.9
97.06625	1.5
98.20738	1.8
99.92596	1.8
102.04735	3.1
111.00844	0.9
115.05519	3.3
116.92945	1.0
117.07103	100.0
118.07424	3.0
119.08669	1.3
125.09698	10.7
126.10082	0.9
188.04808	2.0
214.77985	0.9
231.13962	1.4
243.17468	1.6
245.08151	1.1
254.05821	1.2
269.04517	1.6
269.08127	1.2
269.15558	1.6
272.06796	3.6
287.05725	1.8
287.09460	10.3
287.16504	87.7
288.16797	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01372	1.7
67.77388	0.4
71.52437	0.7
78.95893	0.9
83.05010	0.5
89.19395	0.4
99.08156	1.4
99.92590	1.8
109.93777	0.4
112.98617	0.4
113.09731	0.5
115.92071	0.5
123.04533	0.5
125.02440	0.6
129.09222	0.5
141.12839	2.0
166.83092	0.4
177.05254	0.5
183.02945	0.6
239.20099	0.7
241.21712	0.8
269.21249	3.2
272.07080	0.6
285.20651	1.1
287.01779	0.4
287.09204	1.7
287.22266	100.0
288.22617	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01367	1.2
61.98827	0.4
70.56258	0.9
81.03452	1.7
92.05038	1.4
93.03432	2.6
99.92564	1.6
107.03835	0.3
108.02177	0.7
108.04549	5.1
109.02950	6.0
115.92084	0.6
116.92899	0.5
117.26431	0.3
121.02952	0.8
124.01662	0.6
134.01422	0.7
134.02478	35.6
135.03279	8.6
136.04037	39.7
137.02448	1.7
137.04361	1.0
139.30135	0.3
142.42020	0.4
148.04076	0.5
149.04803	1.5
176.03514	4.2
180.04459	0.4
181.03786	0.4
190.05032	0.5
195.28345	0.4
260.16440	0.5
271.69629	0.4
277.94177	0.4
288.16034	100.0
289.07254	0.4
289.16382	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	287.0923
Annotation	Asperflavin
Peak:m/z	Relative Intensity
53.10589	0.4
63.16006	0.5
64.32690	0.5
69.94102	0.5
71.06445	0.8
73.03271	0.5
79.15811	0.4
97.35703	0.5
108.88639	0.5
149.84024	0.5
158.46786	0.6
158.72490	0.5
175.11826	0.5
187.03922	0.6
187.11256	0.4
187.13264	0.5
188.04761	13.9
189.05150	0.6
201.05627	0.7
203.07115	7.6
208.22931	0.5
215.03499	4.0
228.07980	0.6
229.05025	4.4
230.05806	8.4
235.40840	0.5
244.07372	2.1
245.08141	8.8
246.08459	0.7
254.05832	10.4
255.06252	1.1
257.04529	5.5
269.08167	10.0
270.08502	0.9
271.06055	0.6
272.06876	33.9
273.07275	1.7
281.24973	0.5
287.09225	100.0
288.09598	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.15131	0.4
51.20213	0.5
55.31229	0.4
56.33509	0.4
59.41800	0.4
69.83327	2.5
73.52357	0.5
86.93407	0.4
100.12206	0.5
107.01420	0.5
108.02168	100.0
109.02974	17.4
121.02989	0.5
122.54077	0.4
123.04534	1.0
125.02468	0.6
133.02957	0.9
146.38060	0.5
147.04491	0.4
151.03996	1.8
152.01146	68.8
153.01932	32.1
154.02272	1.0
163.03963	1.0
165.01973	0.9
241.05106	0.5
285.06158	72.2
286.06549	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
56.91199	0.6
58.34306	0.6
59.01374	1.6
60.02591	0.5
61.98816	3.0
71.01373	1.7
71.50966	0.6
72.99296	1.7
75.00877	1.0
78.91866	1.3
78.95906	15.1
81.03458	1.4
91.42855	0.6
96.61447	0.7
97.94944	0.6
105.01934	36.8
107.78516	0.6
108.02170	100.0
109.02978	23.8
110.98527	13.8
115.00349	2.2
133.01450	5.7
133.02965	1.3
142.99879	5.5
151.03966	0.8
152.01149	66.8
153.01933	41.5
154.02283	1.1
155.11913	0.7
163.03929	0.7
165.01964	0.8
173.00925	1.0
285.06171	81.8
286.06479	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	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98827	2.0
63.32854	0.7
69.89359	0.6
70.93375	1.2
72.99297	5.8
75.00877	2.8
81.75557	0.7
89.58009	0.6
105.01933	100.0
106.02285	1.5
147.48553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01381	0.9
59.76566	0.4
61.98805	0.5
70.02970	1.0
70.69831	0.5
70.70177	0.8
72.47413	0.3
74.06133	1.8
78.02187	0.4
82.98103	0.3
83.05011	0.4
87.29882	0.3
89.34030	0.4
94.44625	0.4
117.07115	1.1
118.05093	0.7
125.02392	0.4
240.23338	3.2
242.21219	2.0
268.22711	0.9
272.06894	0.5
286.04306	1.4
286.23862	100.0
287.09274	2.5
287.16571	1.4
287.24228	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	287.056
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
52.70540	0.7
57.03447	14.0
58.60117	0.7
60.79452	0.6
63.02395	4.4
65.00319	8.1
66.26471	0.6
71.28495	1.0
81.03458	2.7
83.01385	10.9
86.92311	0.6
93.03452	2.5
95.01397	1.0
98.79427	0.7
107.01395	6.7
109.02950	2.5
111.00908	0.7
116.57224	0.7
121.02979	1.6
123.00890	0.9
123.04494	2.0
124.01638	2.3
125.02445	100.0
126.02776	2.6
131.05011	1.8
133.02898	3.3
134.03734	1.6
135.04527	2.2
137.02440	0.9
150.02939	0.6
151.00356	14.4
152.01144	9.9
153.01938	3.2
154.18970	0.6
156.05797	0.8
157.06558	1.8
158.03763	1.2
159.04448	2.1
165.01945	0.8
169.01370	0.7
169.06540	0.9
171.04475	0.6
172.05263	1.8
173.06088	6.7
175.03978	0.9
175.07704	0.7
176.01111	0.6
177.05569	16.1
177.07129	1.0
178.99879	7.7
197.06149	0.7
199.07605	3.2
200.04768	1.4
201.05574	11.8
202.05998	1.0
203.03484	1.6
213.05566	1.8
215.07126	6.4
219.06604	2.0
241.05086	1.8
243.02954	0.7
243.06598	14.2
259.06097	74.9
260.06613	4.0
269.04504	2.7
287.05612	61.6
288.05960	3.6
288.83804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09888	0.2
57.88231	0.1
59.01368	0.8
69.44254	0.3
69.44659	1.2
73.94779	0.2
83.01382	0.2
83.04990	0.2
93.03458	0.3
107.01360	0.2
109.02966	0.2
113.91579	0.2
133.02930	0.2
141.67889	0.2
151.00317	0.4
167.04973	0.6
169.06538	0.3
171.04442	0.3
183.04533	0.8
183.13893	0.2
195.04529	1.1
196.05150	0.2
199.03989	0.4
201.05602	0.3
211.03995	4.7
211.13371	4.6
212.04662	0.8
212.13680	0.4
213.05569	1.1
223.03984	0.3
224.04768	2.2
227.03482	0.7
228.04201	0.2
229.05038	0.5
239.03511	1.2
240.04225	0.5
241.05052	6.8
242.05353	0.4
243.02890	0.8
255.03036	1.5
256.03775	1.4
257.04550	5.0
258.04941	0.2
267.03180	0.3
268.03741	3.1
284.26794	1.0
285.04022	100.0
285.27072	0.4
286.04361	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	0.1
54.56200	0.1
57.22062	0.1
59.01370	0.4
63.02391	0.7
65.00325	0.7
67.01859	0.2
75.00930	0.2
79.01906	0.3
83.01384	1.1
89.27627	0.1
91.01896	0.3
93.03451	2.4
93.86440	0.1
95.01372	0.5
96.43882	0.1
107.01388	1.6
107.58096	0.2
108.02159	0.4
109.02951	0.9
117.03455	1.0
119.01375	0.4
119.04991	0.2
121.02968	0.3
123.00864	0.3
123.04497	0.4
130.04208	0.3
131.05038	0.5
132.02271	0.2
133.02936	0.5
135.00845	0.6
137.02422	0.9
141.07156	0.2
143.05016	1.0
145.02946	0.8
145.06633	0.2
151.00339	1.8
154.04239	0.9
155.04999	0.5
156.05797	0.5
157.02946	0.5
157.06563	0.5
158.03793	0.1
159.04492	1.4
161.02425	0.6
163.00397	0.8
164.01160	0.5
165.01906	0.4
167.04991	0.5
168.05821	0.2
169.01450	0.2
169.02902	0.1
169.06558	0.9
171.04544	1.1
173.02428	0.6
173.06090	0.3
183.04488	0.5
184.05220	0.4
185.06056	1.9
186.06364	0.2
187.04013	1.6
189.05580	0.2
191.00002	0.1
192.00652	0.2
195.04491	0.4
196.05251	0.3
197.06136	0.3
198.03210	0.3
199.03923	0.5
201.05551	0.6
211.03987	1.2
211.13335	0.8
212.04723	0.3
213.05530	0.9
214.02629	0.7
215.03564	0.7
219.02942	0.2
227.03438	0.7
229.05008	2.0
239.03467	1.9
240.04156	0.5
241.04865	0.3
243.03033	0.8
255.02933	0.5
256.03732	0.2
257.04520	1.0
267.02911	0.2
268.03720	0.4
284.03229	0.3
284.26865	0.3
285.04028	100.0
286.04364	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	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12812	0.2
59.01367	1.2
62.32111	0.2
63.02390	1.2
65.00322	0.7
65.03963	0.4
79.01895	0.4
83.01382	1.3
91.01895	1.3
93.03454	4.9
95.01391	0.4
95.12244	0.2
98.19936	0.5
104.66641	0.2
107.01383	3.4
108.02172	0.5
109.02942	2.3
117.03434	1.5
119.01391	0.5
119.05007	0.3
121.02964	0.5
123.00893	0.4
123.04523	0.3
124.01662	0.3
125.47513	0.2
130.04196	0.8
131.05014	1.1
133.02948	0.8
135.00876	2.1
137.02446	0.8
141.07146	0.4
143.05013	3.6
145.02954	1.1
145.06558	0.4
151.00327	0.9
153.01942	0.6
154.04247	0.7
155.05037	0.6
156.05807	1.0
157.02873	0.2
157.06596	2.6
158.03748	0.6
159.04514	4.6
161.02446	0.6
163.00359	3.5
164.00981	0.3
165.01880	0.7
167.05008	1.4
168.05670	0.4
169.02965	0.3
169.06586	2.0
171.04532	1.6
173.02458	0.6
173.06073	0.4
174.03200	0.5
175.04007	0.4
182.03702	0.6
183.04518	1.6
184.05238	1.0
185.02541	0.2
185.06062	6.3
187.03992	8.5
188.04321	0.5
189.05542	2.9
195.04497	1.5
196.05286	0.6
197.06076	1.3
198.03223	0.5
199.04021	1.5
201.05547	1.6
202.02667	0.3
211.03987	3.4
212.04617	0.7
213.02133	0.3
213.05542	3.3
214.02705	1.0
215.03453	1.0
223.04033	0.3
227.03491	4.4
228.03954	0.6
229.05040	19.7
230.05380	1.0
239.03502	2.6
240.04182	1.3
241.05069	2.5
243.02985	1.1
255.02991	1.3
256.03677	1.5
257.04541	9.1
257.06595	0.2
258.04932	0.5
267.03003	1.2
269.51117	0.3
270.05240	0.8
284.26727	0.9
285.04013	100.0
285.27069	0.5
286.04376	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	285.0401
Annotation	7-Hydroxyemodin
Peak:m/z	Relative Intensity
59.01376	1.2
63.02401	1.2
65.00317	0.8
65.03959	0.3
67.95177	0.2
70.64375	0.2
73.68717	0.2
76.45132	0.2
78.76988	0.2
79.01888	0.4
83.01370	1.0
87.14859	0.2
91.01884	0.8
93.03452	4.7
96.05585	0.2
101.71458	0.2
106.93887	0.2
107.01381	3.8
108.02213	0.4
109.02937	1.8
109.33039	0.2
117.03453	1.8
119.01374	0.5
121.02954	0.3
123.00887	0.3
123.04581	0.3
124.05943	0.2
130.04233	0.3
131.05017	1.3
133.02936	0.8
135.00865	2.0
137.02409	0.7
141.07082	0.4
143.05029	3.7
145.02962	1.0
145.06561	0.7
151.00337	0.8
153.01894	0.6
154.04227	0.8
155.04994	0.8
156.05771	0.9
157.06592	2.0
158.03748	0.6
158.06871	0.2
159.04491	4.6
160.04829	0.2
161.02415	0.5
163.00372	3.2
164.01003	0.2
165.01942	0.6
167.05008	1.3
167.08247	0.2
168.05597	0.2
168.91806	0.2
169.02834	0.2
169.06583	1.4
171.04515	1.3
173.02368	0.5
173.06056	0.5
182.03720	0.3
183.04488	1.8
184.05174	0.8
185.02373	0.2
185.06036	5.4
186.03224	0.3
186.06352	0.3
187.03987	7.3
188.04306	0.4
189.05536	2.4
191.03442	0.3
195.04497	1.1
196.05211	0.4
197.06046	1.8
198.03108	0.4
199.03963	1.1
201.05522	1.7
211.03976	3.3
212.04634	0.5
213.05548	3.3
214.02669	0.8
215.03471	0.5
223.03986	0.2
224.04459	0.2
226.02708	0.2
227.03471	4.2
228.03949	0.4
229.05022	17.9
230.05318	1.0
239.03485	2.5
240.04314	1.4
241.05035	4.9
243.03073	1.1
255.02997	1.2
256.03757	1.3
257.04541	7.9
258.04849	0.5
267.03018	1.4
284.03519	0.2
284.26675	0.3
285.04016	100.0
286.04367	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	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
59.50671	0.2
59.70436	0.2
63.02385	0.8
65.00317	2.4
69.45409	1.1
69.45824	0.6
77.38396	0.2
82.17627	0.2
83.01368	1.4
93.03467	0.4
98.20626	0.5
105.03453	0.6
107.01384	4.6
109.02847	0.3
121.02909	0.7
121.88499	0.3
131.27127	0.3
132.02115	0.5
133.02948	22.0
134.03323	0.7
135.00778	0.3
143.05031	0.6
145.03003	0.2
147.04471	0.4
149.02425	2.6
151.00359	7.4
154.04057	0.2
159.04550	0.5
163.00414	0.3
169.06573	0.4
171.04494	1.1
175.03987	4.5
177.01921	0.3
181.12257	0.3
185.06027	0.7
187.04004	0.5
189.05498	0.4
190.56998	0.2
197.06013	0.4
198.03156	0.5
199.03970	3.7
201.01923	1.4
211.03986	0.5
213.05562	1.0
215.03487	1.0
217.05008	1.7
223.04077	0.4
224.04558	0.3
225.11357	0.3
227.03461	0.3
228.03854	0.4
229.05049	1.3
239.03474	0.4
240.04271	0.3
241.05016	1.3
243.02943	0.9
256.03378	0.8
257.04480	1.1
284.26810	0.6
285.04013	100.0
286.04355	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	284.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11777	0.7
59.01380	1.7
71.53054	1.3
82.03011	0.8
83.01391	7.5
93.03467	1.0
94.02990	5.1
95.01366	1.2
109.02964	1.9
116.05025	1.2
118.02976	1.0
120.04527	2.4
122.02481	8.0
134.06129	1.9
135.04539	1.1
136.04019	5.1
137.02420	3.4
146.02480	3.3
147.03191	1.2
149.42079	0.7
151.03979	10.9
152.03510	6.3
153.01965	1.5
160.04036	21.6
162.05592	3.8
163.02693	1.5
164.03537	24.8
166.05098	3.6
166.72905	0.7
178.05048	4.1
179.01941	0.8
179.03508	29.5
180.02988	6.2
188.03535	31.2
189.04190	1.5
194.04573	15.0
195.05106	0.9
206.04581	100.0
207.04871	3.5
238.03577	3.6
240.03342	6.5
269.04031	0.9
283.26401	21.4
284.02368	7.9
284.15787	0.9
284.26892	7.5
285.03979	1.9
285.08768	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	285.0393
Annotation	Cyanidin
Peak:m/z	Relative Intensity
54.75969	0.1
63.02396	1.6
65.00320	0.9
67.01878	0.3
74.39297	0.1
79.01897	0.4
83.01382	1.2
89.03959	0.2
91.01893	1.1
93.03457	4.8
94.03764	0.2
95.01374	0.5
98.19843	0.3
107.01383	3.4
108.02151	0.4
109.02937	2.1
113.31637	0.2
117.03443	1.6
119.01375	0.5
121.02944	0.3
123.00881	0.3
123.04520	0.2
124.01659	0.2
129.03464	0.2
130.04239	0.5
131.05058	0.8
133.02954	0.5
133.06567	0.2
135.00887	1.9
136.01614	0.2
137.02449	1.0
141.07097	0.4
143.05014	3.1
144.05389	0.2
145.02946	1.2
145.06552	0.5
146.11772	0.1
147.04550	0.2
151.00351	2.0
153.01952	0.4
154.04253	0.9
155.05013	0.8
156.05798	0.8
157.02914	0.3
157.06567	1.9
158.03717	0.6
159.04517	3.8
160.04886	0.2
161.02412	0.5
161.06017	0.2
163.00377	3.2
164.01129	0.5
165.01871	0.6
167.04976	1.6
168.05742	0.2
169.06581	1.5
170.03699	0.2
171.04517	1.6
173.02414	0.6
173.06064	0.4
174.03259	0.3
182.03719	0.7
183.04515	1.2
184.05283	0.6
185.06062	5.5
186.06412	0.2
187.03996	6.5
188.04393	0.2
189.05579	1.8
192.00612	0.2
195.04463	1.3
196.05231	0.6
197.06081	1.4
198.03224	0.4
199.03969	1.0
201.05583	1.1
211.03973	3.0
212.04649	0.4
213.05554	3.0
214.02667	0.9
215.03447	0.8
217.05153	0.2
219.02904	0.2
223.03949	0.4
224.04628	0.2
226.02588	0.3
227.03493	3.9
228.04033	0.5
229.05043	16.2
229.47461	0.1
230.05357	1.1
239.03468	2.4
240.04218	1.2
241.05037	2.4
242.02264	0.2
243.02931	1.1
255.02986	1.3
256.03741	1.4
257.04547	8.3
258.04892	0.5
267.02930	1.3
284.03461	0.2
285.04019	100.0
286.04379	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.51323	0.4
55.51693	0.3
58.18023	0.4
59.01371	1.6
59.81982	0.4
60.57199	0.4
71.35316	0.6
72.42746	0.4
93.03466	0.5
102.97272	0.5
107.05022	100.0
108.05344	2.2
122.35332	0.5
123.04469	0.6
139.02220	0.4
163.11275	99.5
164.11610	4.0
167.82498	0.4
183.79768	0.4
191.18762	0.4
227.97902	0.4
240.04305	0.8
255.02898	0.4
268.03601	3.0
269.04193	0.5
269.94547	0.5
283.06216	3.4
283.17010	95.9
283.26367	37.8
284.17334	7.9
284.26721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01374	0.9
60.99306	0.3
66.00953	0.5
70.66590	0.7
72.01640	0.2
82.04099	1.1
88.98821	1.3
89.02398	0.3
89.99110	0.3
96.96020	0.2
107.03638	4.1
108.02032	9.3
108.04021	0.2
110.57336	0.2
126.03080	3.4
133.01558	29.7
134.01953	0.5
146.62811	0.2
150.04201	100.0
151.02725	0.3
151.04680	1.7
172.09413	0.2
268.03799	0.6
282.08414	32.6
283.06003	0.4
283.08557	1.3
283.26385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Physcion
Peak:m/z	Relative Intensity
52.53354	0.4
55.11393	0.4
59.01376	6.3
61.98833	1.0
67.02644	0.4
71.53167	0.7
72.88538	0.4
107.01406	0.4
184.05243	0.8
211.03979	0.7
212.04762	2.6
221.15504	0.5
240.04259	100.0
241.04581	5.6
255.02875	0.5
268.03757	15.8
269.04028	0.5
283.06088	92.8
283.15488	1.3
283.26379	56.7
284.03247	1.0
284.06326	6.3
284.26669	0.8
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	Hysterone D
Peak:m/z	Relative Intensity
51.34496	0.5
54.03648	0.5
57.77359	0.6
59.01377	100.0
71.01400	1.2
71.52229	0.8
73.02922	0.8
75.00896	0.9
78.23328	0.6
81.23357	0.6
83.01371	1.1
84.51367	0.6
85.02966	1.9
89.02452	1.8
99.04503	1.7
101.02457	0.8
102.98580	1.6
109.06593	0.6
114.01357	0.6
121.06620	0.7
123.04482	0.6
137.02525	0.6
153.03700	0.6
165.09186	1.7
210.07654	0.6
221.15529	0.7
223.08286	0.7
265.14331	1.9
268.03711	5.3
269.04111	0.7
283.06158	4.8
283.15472	10.8
283.26389	42.4
284.15869	0.9
284.26694	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	281.1393
Annotation	Merrillianone
Peak:m/z	Relative Intensity
52.37127	0.9
55.01875	1.4
57.03452	7.6
59.01379	14.9
69.03439	0.7
71.04984	1.5
71.52620	1.0
73.84676	0.6
75.20847	0.6
76.93723	0.6
77.33755	0.6
81.03461	1.0
83.01380	1.7
83.05025	8.6
85.02953	1.4
87.00882	8.4
92.48845	0.7
93.03465	1.2
95.05022	4.2
96.96022	5.3
97.02958	1.0
97.06573	0.7
98.03709	1.3
99.04575	0.7
101.02425	0.8
101.06087	1.0
107.05029	1.7
109.02937	2.5
109.06549	1.6
111.00886	1.1
111.04501	1.9
111.08124	3.7
119.05035	10.6
119.08684	1.0
121.06596	7.6
123.08166	21.8
124.02260	12.0
124.05270	2.2
129.07101	0.9
135.02982	4.2
135.08125	2.0
137.06047	1.2
137.09724	3.8
138.06844	0.9
139.07643	4.1
139.19228	0.7
143.08589	0.8
145.10228	1.7
151.07643	1.6
152.01755	14.9
153.01981	2.6
153.09248	3.2
163.04004	19.1
163.11317	0.9
169.08734	0.7
169.10150	1.5
171.11790	14.2
181.01445	2.2
183.02943	2.8
185.09685	1.0
189.12837	4.3
193.04990	0.9
201.12831	1.9
207.13875	2.7
219.13882	1.5
231.69278	0.7
237.04189	0.7
237.14941	11.9
281.13931	100.0
281.24915	2.8
282.14310	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	281.1029
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
59.01377	1.6
63.09695	0.3
67.01885	0.3
67.06125	0.3
69.03457	1.2
71.28900	0.6
77.03960	1.2
83.01375	1.5
95.01398	0.6
97.02938	0.7
97.06588	0.4
99.00871	1.7
111.00885	0.4
117.24139	0.3
121.02953	2.1
121.06577	2.5
137.02435	6.9
137.09706	1.3
138.03224	4.6
139.00365	1.7
139.03979	0.7
141.01933	5.4
150.03264	1.6
152.04759	0.3
153.05565	0.4
165.01921	9.7
165.03290	0.7
165.09207	0.6
166.02698	6.9
166.99838	0.8
167.07123	2.3
170.02228	1.1
182.02229	2.0
183.02969	100.0
184.03333	3.7
191.07152	2.2
193.05049	3.1
193.08591	0.6
207.51025	0.3
208.03665	0.6
209.08179	36.6
210.08472	1.6
219.06581	0.7
237.07660	28.1
238.08034	1.3
263.09186	0.4
271.10809	0.4
280.02463	0.3
281.10281	47.2
281.24915	0.5
281.47717	0.4
282.10541	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01865	1.2
57.03450	12.5
59.01375	17.1
65.03947	3.0
69.03457	0.8
71.01370	2.1
71.05013	1.8
71.51868	0.8
75.00872	6.7
79.95747	1.5
80.02710	1.2
81.03446	1.4
83.01373	2.6
83.05022	13.0
85.02945	2.0
87.00872	14.9
88.98809	2.9
89.02409	1.5
93.03455	2.7
95.01409	1.0
95.05020	4.2
97.02946	1.6
97.06590	1.3
98.03728	1.1
101.02448	1.8
101.06062	1.4
105.01895	0.8
107.08645	1.2
109.02953	1.7
109.06602	1.5
111.04522	6.3
111.08167	4.3
113.02462	1.1
113.06063	1.8
119.05029	17.5
119.08710	1.4
121.06575	6.8
122.03704	0.9
123.08165	27.4
124.02283	1.7
124.05305	2.2
124.08419	0.8
125.09699	0.7
129.07071	1.0
133.96577	0.8
134.03752	2.8
135.02997	25.5
135.04517	1.2
135.08165	2.1
137.02396	1.2
137.06070	1.2
137.09738	3.8
139.04005	1.1
139.07664	4.0
139.54922	0.7
143.08661	0.9
145.02817	0.7
145.10263	4.0
149.06117	1.5
149.09673	0.8
151.07643	4.2
152.01726	2.8
152.03526	2.7
153.09232	3.8
163.04005	29.3
163.11281	1.3
164.04359	1.1
165.09297	0.9
169.08705	2.0
169.10223	3.6
171.11790	31.5
172.12099	1.6
175.11261	2.0
178.02708	1.3
183.02962	1.5
185.09785	1.1
189.12833	11.5
190.13228	1.0
191.10777	1.2
193.05028	4.7
193.06578	0.8
201.12854	10.8
207.13910	7.2
219.13867	5.5
227.49001	0.7
237.04103	0.7
237.08127	1.2
237.14951	48.9
238.15239	3.7
281.07025	2.3
281.13919	100.0
281.24722	2.9
282.09702	2.7
282.14203	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
58.52699	0.4
64.81544	0.4
65.49059	0.5
69.84839	2.2
82.85941	0.4
119.00421	0.4
139.05345	0.5
141.20914	0.4
159.02367	0.5
160.03470	0.4
162.46428	0.5
173.91228	0.6
219.10948	0.4
279.23270	100.0
280.23611	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	281.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78549	0.6
60.99303	13.6
65.51590	0.6
68.39914	0.6
70.42474	2.5
71.07025	0.6
74.21027	0.7
76.02319	0.8
85.02942	0.8
88.98804	100.0
94.25661	0.7
113.02496	0.7
187.76283	0.8
281.08707	1.5
297.07013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
50.92987	0.5
57.03444	12.3
59.01377	1.3
67.48822	0.6
69.03445	1.8
71.01377	0.6
71.04987	0.6
71.51710	0.8
79.05525	1.3
80.02663	0.6
81.03439	0.8
83.01385	3.9
83.05016	3.1
85.02959	1.8
85.06580	0.9
90.98574	0.8
93.03432	0.7
94.04259	0.7
95.01382	1.6
95.05040	2.3
97.02940	6.0
97.06601	3.2
99.04523	0.7
105.07135	0.9
107.01357	1.6
107.05035	2.2
108.02165	0.7
109.02933	6.0
109.06583	7.1
111.04498	3.9
119.08662	2.3
121.06583	5.7
122.03738	14.3
123.04558	4.7
123.08152	1.2
124.05290	18.3
125.02433	0.8
125.06099	5.7
133.06599	7.3
133.10152	0.7
134.06975	0.7
135.04523	1.4
135.08160	1.0
136.05266	1.1
137.02461	1.9
137.06081	13.8
137.09767	1.2
139.07642	100.0
139.27190	0.6
140.07976	2.8
145.10344	0.7
146.03697	1.6
147.04478	0.7
147.08136	4.7
149.06032	1.4
151.07584	1.4
153.01942	1.8
155.03467	1.1
159.86090	0.6
161.09686	0.9
163.07622	2.5
163.11246	1.7
165.01888	1.3
167.07106	1.0
168.07899	22.9
169.08691	3.6
171.08174	2.8
172.08891	1.0
175.07698	1.9
175.11282	1.8
177.09171	0.8
177.12799	1.7
180.07925	0.6
181.01375	2.0
182.02205	6.0
185.09686	1.2
187.11269	17.3
188.11601	1.0
189.09225	0.9
190.09976	3.9
191.07121	1.2
202.09959	0.6
205.12321	33.6
206.12669	1.2
209.08180	0.7
217.08684	1.1
217.12386	2.1
231.10156	0.9
235.13432	4.5
249.11269	2.4
261.07697	1.9
261.11298	0.7
279.01572	1.4
279.08737	16.2
279.12350	11.9
279.23099	0.8
280.09006	0.9
280.12564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0874
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
54.87521	0.6
58.34184	0.5
59.01381	1.3
67.01869	0.6
69.27727	2.0
69.28149	3.6
81.03447	1.2
83.01382	7.5
85.02940	0.9
85.62613	0.5
99.00870	0.9
107.01376	0.9
111.00856	2.5
119.05015	2.3
135.08217	1.5
136.98808	2.0
137.02452	3.3
138.03241	0.9
139.00386	1.1
141.01932	6.3
146.72795	0.6
149.02411	0.9
150.03204	6.3
151.07639	1.4
153.01926	29.4
154.02199	0.9
163.07605	1.0
164.04814	3.2
165.01897	3.3
165.05562	2.2
166.02579	1.7
167.07108	0.8
178.02686	8.0
179.03484	10.0
180.04198	0.7
181.01418	3.3
182.02214	2.4
189.05545	1.6
189.93044	0.9
191.03470	3.7
191.07146	1.9
192.04242	2.6
193.04915	0.8
194.02112	1.3
195.06497	0.9
207.03070	2.8
207.06607	100.0
208.07057	4.1
209.08202	2.0
222.01703	3.1
223.09729	4.0
233.08223	1.8
235.06129	4.8
236.06859	2.9
244.74850	0.7
251.09218	45.3
252.09520	2.1
279.08725	93.9
279.23196	2.8
280.09076	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.18542	1.1
57.03445	3.4
58.00570	3.1
59.01376	100.0
60.01715	1.6
71.01376	61.5
71.05005	3.3
71.17357	2.3
72.99292	4.1
73.02938	3.7
75.00854	1.8
83.01376	9.4
85.02940	14.1
87.00867	3.0
88.59914	1.1
89.02438	74.4
95.01388	6.0
97.06570	2.2
99.04511	14.8
101.02436	38.1
101.04302	2.4
106.21603	1.1
107.05013	2.2
109.06583	1.5
111.04515	1.5
113.02446	19.4
115.03947	1.7
117.04724	1.3
117.05569	30.3
119.03494	34.2
123.04500	4.8
131.03470	2.2
137.02382	2.7
143.03476	4.4
145.08693	2.8
149.04472	1.7
149.06238	2.8
151.07587	3.4
159.06581	1.3
160.81929	1.2
161.04518	3.0
163.04028	1.6
167.04436	1.4
177.15855	1.3
179.05585	3.9
182.02164	3.8
189.93024	2.8
233.08037	1.2
235.06050	2.1
235.10460	2.3
246.63272	1.2
279.08533	24.7
279.10815	90.3
279.14139	3.0
279.23227	3.9
280.08511	1.7
280.11194	4.8
285.91879	1.3
299.17618	1.1
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	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01370	0.7
65.27412	0.5
70.84098	1.0
76.42193	0.4
84.55733	0.4
97.77155	0.4
119.09836	0.5
140.85455	0.4
155.55470	0.5
233.22495	0.5
254.68109	0.5
277.21701	100.0
278.22034	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	278.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02023	1.1
55.01883	1.5
59.01369	3.1
60.99305	12.5
63.67435	1.0
64.41183	1.1
65.00283	1.4
69.03451	1.9
70.08044	5.6
71.05004	2.4
73.02926	1.1
73.61053	1.1
83.01387	3.6
96.96096	1.0
105.05859	1.1
107.01381	1.9
120.00798	1.1
120.08173	3.0
121.02969	1.8
130.06674	1.9
132.08177	3.5
134.09747	51.0
134.10773	2.5
135.10107	1.7
137.02467	1.7
141.01894	2.3
144.08205	1.7
146.09763	3.3
148.11330	1.6
150.03249	2.1
153.01935	12.1
158.09770	1.5
160.07680	4.7
160.11319	9.1
161.08437	2.5
165.01906	1.3
174.12834	1.1
176.10770	3.0
178.02676	2.1
179.03458	3.1
182.02312	2.5
186.12827	8.0
187.10017	1.4
188.14487	2.7
190.12370	11.5
191.03441	1.5
192.04353	1.3
198.12854	3.2
204.13916	19.3
207.02986	1.3
207.06627	30.4
216.13922	100.0
217.14258	5.1
223.80670	1.0
234.14981	8.1
235.06114	2.2
248.12883	6.6
251.09238	14.3
278.13943	12.5
278.22043	3.2
279.08740	32.6
279.23218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71861	1.0
57.03444	3.0
69.89912	4.6
70.06612	4.7
71.05020	6.4
72.04541	19.8
82.02982	13.8
84.04533	2.4
85.02106	1.1
85.02950	26.5
98.06113	2.2
98.19922	1.1
100.04046	9.8
101.02428	16.1
102.02744	1.0
102.05570	1.5
112.04033	1.1
113.02451	1.6
126.04728	2.0
126.05602	16.8
128.03458	1.7
129.01936	96.7
130.02287	1.7
146.08224	100.0
147.02957	8.6
147.08566	4.1
158.11845	1.7
168.10286	1.4
184.09778	4.4
186.09755	1.6
186.11360	21.1
212.09352	2.0
214.10899	2.1
232.11923	2.1
240.08781	3.4
253.40916	1.0
258.09805	28.7
259.10004	1.5
276.10873	50.2
276.13943	2.7
277.11337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0926
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
50.15094	1.3
55.01874	7.2
57.03445	6.3
58.00602	2.3
59.01374	39.1
69.77602	5.7
69.78018	2.6
69.88799	1.3
71.01376	100.0
71.05006	5.7
72.01699	1.8
72.99294	3.6
73.02939	31.6
75.00875	2.4
78.95901	10.9
83.01380	15.3
85.02943	47.5
86.90196	1.6
87.00857	5.1
89.02437	12.2
95.01373	8.5
96.96954	15.8
97.02931	3.2
99.00876	12.9
101.02435	63.5
113.02446	39.2
115.04006	44.2
117.27414	1.5
125.02423	1.7
126.83819	1.6
128.03522	1.6
143.03484	4.2
159.02991	10.2
161.04539	36.9
171.69507	1.9
202.10490	1.5
233.10269	11.1
276.98822	6.0
277.09293	24.4
277.21481	3.7
278.09601	2.0
296.86426	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	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.00159	0.2
57.33334	0.2
59.01375	2.3
71.01374	0.6
71.66000	0.2
79.95741	0.2
98.19857	0.5
99.97476	0.2
113.06074	0.3
121.02936	0.5
127.07646	0.3
174.18730	0.2
205.15958	0.3
218.37376	0.2
229.68887	0.2
233.00977	0.2
233.22668	0.6
239.51358	0.2
259.20651	0.5
261.28986	0.2
275.20035	0.5
277.21692	100.0
278.22040	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	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.4
59.01377	4.3
60.14314	0.2
70.51661	0.8
71.01384	0.6
79.95743	0.6
93.21015	0.2
96.33973	0.3
106.42901	0.2
112.04698	0.2
121.02962	1.5
137.02490	0.3
205.15981	0.7
233.19041	0.4
259.20340	0.3
277.18365	6.1
277.21680	100.0
278.18774	0.4
278.22012	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	275.1248
Annotation	N6-(L-1,3-Dicarboxypropyl)-L-lysine
Peak:m/z	Relative Intensity
50.29374	0.8
58.02964	3.2
68.05030	1.4
70.03014	0.9
70.06606	3.8
71.01391	1.0
71.05000	4.3
71.24078	1.6
72.00891	2.5
74.02464	3.8
78.95894	1.3
82.02994	2.7
84.04541	6.5
86.02482	1.6
88.97932	0.9
96.96948	1.2
98.06111	1.6
99.00865	1.3
99.05633	1.2
100.07637	1.2
101.02447	0.9
101.07194	7.9
102.05571	2.0
103.78632	0.9
109.04064	1.9
111.05568	0.9
112.04044	3.4
126.05605	18.9
127.00593	0.9
127.05119	17.8
127.05975	1.7
128.03534	100.0
129.03871	2.9
137.10841	2.6
146.04543	4.0
146.08224	85.9
147.08543	2.8
165.10248	1.0
170.99599	1.9
181.09889	1.0
195.11331	4.5
213.12431	14.3
231.13388	1.7
239.10338	17.6
257.11423	22.8
269.23956	1.1
275.12463	34.5
275.15479	1.8
276.12946	1.5
278.98318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1135
Annotation	Clandonensine
Peak:m/z	Relative Intensity
50.63515	0.8
57.03439	2.7
58.82664	0.9
59.01373	12.4
61.17924	0.8
63.44950	0.8
67.49958	0.8
71.01318	1.0
71.05011	4.9
71.21056	1.5
72.99322	1.0
73.02927	1.3
81.03445	1.9
83.05000	1.2
85.02940	0.8
85.06575	1.3
97.06607	1.4
99.00850	1.0
99.04536	2.4
101.02464	0.8
101.04273	1.7
102.98545	1.0
109.02962	0.9
113.09748	1.3
123.08179	4.1
125.02413	2.0
125.09718	18.8
135.08153	3.6
151.07637	1.4
153.08051	1.6
153.09200	15.8
169.08691	7.9
171.08812	1.9
171.10260	34.1
172.10663	0.9
173.08136	1.8
187.09703	3.9
197.08202	5.5
201.75993	0.8
215.09222	100.0
216.09541	5.0
227.03270	0.9
231.05177	1.4
233.10275	54.2
234.10654	2.3
275.05716	2.8
275.11353	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	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
50.08944	0.9
59.01374	100.0
60.01717	1.1
60.95317	1.0
70.82808	3.1
77.93104	0.9
86.15205	1.0
98.02446	2.5
101.04305	3.4
102.98579	1.7
109.06584	5.5
111.08158	11.4
121.02932	1.0
125.09717	19.4
127.07638	4.2
135.08173	1.4
153.09181	11.4
155.07098	6.8
160.91597	0.9
171.10257	79.2
172.10661	2.5
173.08167	39.5
178.12926	1.1
197.08206	6.7
205.60709	1.0
215.09218	69.3
216.09518	1.8
233.10278	54.4
234.10611	1.7
275.11356	38.1
276.11639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0561
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
59.01384	1.1
62.26622	0.5
70.52412	0.6
70.52742	1.2
121.06575	3.2
144.05850	0.6
145.06578	8.9
147.04518	3.1
159.04532	1.0
174.03189	0.7
187.07666	2.9
188.04771	22.3
189.05562	94.5
190.05843	3.9
191.03490	1.5
200.14085	0.6
202.02745	1.6
203.03497	5.6
220.03743	8.9
231.06612	86.8
232.06967	4.9
257.04462	1.4
275.05600	100.0
276.05997	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	274.0931
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
51.99394	1.2
55.01879	1.9
57.03439	1.9
69.81791	4.2
70.06631	1.4
71.05020	6.6
72.04545	43.6
82.02981	26.2
83.01382	11.6
98.02464	5.3
100.04028	13.5
100.07635	1.4
101.02438	1.6
111.04546	1.5
113.32551	1.2
121.06617	5.9
124.07773	1.2
126.05605	12.3
126.09246	12.2
127.00383	7.4
128.03529	1.4
138.05559	2.2
138.09222	2.7
139.25668	1.5
140.10797	1.4
145.01421	1.7
146.08234	38.2
148.07649	1.8
150.09235	7.1
154.08722	6.1
156.06534	1.2
166.08742	2.2
168.10233	2.8
184.09814	7.5
186.11389	2.2
210.07724	15.9
211.08319	1.2
212.09273	19.4
228.08736	9.4
230.10194	2.1
256.08255	100.0
257.08539	5.0
274.09253	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	274.1812
Annotation	MGK 264
Peak:m/z	Relative Intensity
50.95434	0.9
55.46851	1.0
59.01349	2.4
62.40762	0.8
65.18387	0.9
71.52547	1.5
79.05519	13.2
88.48026	0.9
94.06574	1.1
105.59689	1.0
108.08193	4.5
110.19001	0.9
116.05058	1.1
116.92874	1.5
133.10254	1.5
158.09720	3.3
159.11739	4.2
160.11339	6.4
161.13318	1.9
162.12872	27.3
164.14467	7.2
172.07692	0.9
172.11275	3.4
174.12927	2.4
204.17572	16.9
214.15996	3.8
226.06810	1.3
228.17554	2.9
230.19119	100.0
231.19418	5.7
232.06877	3.2
241.09404	1.5
256.07077	2.3
256.11646	4.3
274.08023	22.0
274.18100	50.1
275.08560	1.1
275.18460	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	273.997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02997	1.3
52.31868	1.3
59.01368	2.3
60.99295	8.7
67.34422	1.8
70.15885	5.7
75.80446	1.4
78.95902	3.6
88.98804	49.3
89.99117	3.4
96.96964	3.4
98.20482	1.8
101.02412	2.1
102.05605	37.2
108.90195	50.1
115.00359	2.0
128.03539	28.2
132.03017	3.3
141.73412	1.5
145.06151	2.2
146.04587	100.0
146.29886	1.4
147.04881	2.6
149.04544	3.4
183.01840	1.4
184.00169	53.4
184.01810	2.3
204.89912	1.5
225.92377	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	274.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77141	1.4
53.80859	1.2
57.03427	1.8
59.01369	2.0
61.98833	13.1
69.36147	1.4
70.06618	2.9
70.65115	2.0
70.65459	2.8
71.01374	5.4
71.05020	3.1
72.04148	2.4
72.04546	41.6
74.02458	1.6
78.95892	2.8
82.02982	22.1
83.01385	11.9
84.04572	1.6
87.00864	2.1
87.92529	2.2
88.98807	13.8
91.09974	1.5
96.96940	4.6
98.02464	6.7
98.06095	1.4
99.00843	2.7
100.04059	15.7
101.02431	3.4
101.07189	2.4
102.05605	13.1
103.92014	4.3
104.92786	4.0
110.52724	1.3
111.03291	1.8
111.04504	1.8
111.59167	1.4
112.04049	1.9
115.00349	9.0
115.02127	1.4
121.06605	7.9
126.05623	15.0
126.09251	9.5
127.00355	5.6
127.05124	5.2
128.03537	41.1
129.01888	1.6
138.05585	1.8
138.09273	3.2
139.07640	2.1
145.01399	1.7
146.04590	32.2
146.08229	59.5
150.09233	8.7
154.08723	7.7
159.01047	4.5
168.01227	1.5
168.10291	3.2
176.97223	2.5
184.00204	18.2
184.09738	5.5
186.11304	1.9
189.70993	1.3
194.08229	2.2
210.07710	13.0
212.09270	22.9
213.12386	3.3
215.09262	1.9
228.08748	8.8
239.10300	4.9
244.09157	1.5
256.08252	100.0
257.08514	5.3
257.11395	6.8
274.02649	2.5
274.06238	1.8
274.09213	22.0
275.02179	8.5
275.09769	2.6
275.12421	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	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14405	1.4
59.01378	19.4
65.60010	1.3
67.01875	3.0
70.97107	1.9
70.97453	3.0
71.01370	23.4
72.99289	4.9
73.02924	1.8
81.03465	2.9
83.01365	9.3
85.02954	6.7
87.00874	36.1
89.02460	1.6
99.00875	2.3
103.61183	1.6
108.02151	13.1
111.00865	4.7
111.08151	4.2
113.02435	3.1
115.00373	66.3
117.01953	2.1
121.06592	3.2
122.03731	2.5
123.08167	13.2
125.09672	2.3
135.08148	2.0
136.05258	3.0
137.09665	1.9
139.00352	6.1
139.07629	3.9
141.09224	1.8
150.03265	1.6
151.07639	32.3
152.07936	1.7
153.09215	4.1
155.07068	5.3
157.01405	6.1
159.89395	1.8
163.07545	3.3
165.05516	2.3
165.09204	14.5
167.07162	2.4
169.08682	3.9
173.08191	1.7
175.02460	100.0
176.02768	1.6
181.08646	7.5
183.10216	3.0
193.05013	2.9
193.08733	11.5
197.08134	1.7
203.38910	1.4
211.09703	18.0
213.07657	4.7
215.09175	1.7
237.07721	8.4
255.08600	2.2
273.03503	5.4
273.09769	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11674	0.7
51.74300	0.7
58.00613	0.6
59.01378	16.5
62.23228	0.6
69.60411	2.9
71.01377	25.6
72.99303	2.4
73.02920	1.9
78.24044	0.6
80.68997	0.6
83.01374	2.8
85.02943	2.6
87.00871	49.4
97.91288	0.7
98.16145	0.6
101.02431	1.4
108.02155	0.9
112.98779	1.4
113.02424	2.0
115.00366	85.8
116.00704	1.1
127.00383	2.7
151.07622	2.1
174.01682	0.9
175.02457	100.0
176.02792	2.8
189.05583	1.0
211.09831	0.8
229.19812	0.7
273.03815	1.8
273.09692	1.4
273.12326	0.7
274.07120	3.8
287.02679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43009	1.4
57.03440	1.5
59.01382	14.4
67.01891	2.4
69.10345	1.3
69.15211	13.7
71.01379	23.1
71.80608	1.4
72.99297	5.0
73.02931	3.4
81.03429	3.0
83.01389	8.6
85.02946	4.1
85.47812	1.3
87.00875	31.4
89.02442	2.3
99.00881	2.7
108.02198	8.8
108.70965	1.4
109.02968	1.4
110.18963	1.3
111.00866	3.8
111.08131	2.6
113.02418	3.4
115.00369	65.3
117.01899	5.5
121.06563	3.1
123.08106	7.0
125.09678	1.6
127.00365	1.8
127.07642	1.8
136.05293	1.8
139.00354	6.9
139.07681	1.3
141.09177	3.2
150.03136	1.8
151.07632	21.8
153.09148	3.1
155.07133	4.0
157.01443	6.5
165.09222	7.8
167.07127	2.3
169.08679	3.8
173.08226	1.9
175.02460	100.0
176.02745	3.4
181.08643	4.2
183.10228	1.4
193.08691	7.1
199.21057	1.3
211.09744	11.4
213.07610	4.1
215.09082	1.3
237.07639	3.8
255.08748	1.5
270.13159	1.4
273.03769	2.4
273.09750	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80405	1.1
57.03441	2.2
58.00568	1.2
59.01377	32.0
65.00327	2.9
69.03461	1.7
69.14051	14.8
71.01382	28.6
72.99303	8.9
73.02953	3.1
78.10148	1.3
79.95747	1.3
81.03465	3.7
83.01394	7.9
84.02166	1.5
85.02935	4.5
85.06586	1.5
87.00876	31.1
88.55196	1.4
89.02458	9.0
98.20654	3.3
99.00869	9.1
107.01353	3.0
108.02187	12.4
109.02983	1.6
109.06590	2.9
111.00888	3.4
111.08163	3.8
113.06078	2.3
115.00368	68.5
117.01931	27.5
123.08154	12.0
125.06042	1.6
125.09756	2.5
127.07681	7.1
135.04503	1.6
136.05344	1.5
137.09677	3.0
139.00345	2.6
139.07643	5.2
141.09210	5.1
145.01492	1.8
147.77130	1.5
150.03270	2.5
151.00356	5.9
151.06436	2.2
151.07643	30.8
153.05510	1.8
153.09175	4.7
155.07126	7.9
157.01465	2.6
161.02490	1.6
163.75414	1.3
165.09229	9.8
167.03534	2.0
167.07126	1.5
168.96075	1.6
169.08699	4.1
171.06616	1.4
173.08199	16.1
175.02472	100.0
176.02785	1.9
176.38156	1.3
179.07059	1.5
181.08731	4.2
185.08232	4.4
193.08702	8.2
197.08151	2.3
201.05659	2.2
211.09682	10.8
213.07776	8.6
245.04524	12.0
255.08794	2.3
273.03967	8.1
273.10095	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	273.0768
Annotation	2,3,4-TRIHYDROXY-4'-ETHOXYBENZOPHENONE
Peak:m/z	Relative Intensity
59.03890	0.2
71.52022	0.2
74.69804	0.2
76.64430	0.2
83.05003	0.3
101.06045	0.3
130.04225	0.2
145.05092	0.3
145.06577	1.3
185.06013	0.3
185.09651	0.2
187.04036	0.2
187.07651	1.6
188.04782	2.2
189.05563	10.6
190.05894	0.5
201.05515	0.2
202.06274	0.3
209.06032	0.3
211.07645	1.4
213.05507	0.8
215.03470	2.0
220.03853	0.2
229.05103	0.3
229.08655	3.6
230.05830	3.6
231.06595	12.7
232.06882	0.8
245.04578	0.3
254.05792	3.1
255.06609	12.7
256.06985	0.8
257.04663	0.2
264.70502	0.2
273.07657	100.0
274.07980	5.9
274.10980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70048	2.0
59.01383	21.1
67.01894	3.4
71.01379	23.9
71.39561	2.0
71.39900	2.4
72.99315	6.4
73.02942	2.5
77.86082	2.4
79.41169	1.8
81.03456	7.1
83.01397	11.0
85.02954	5.5
87.00880	40.3
99.00890	4.8
108.02170	21.2
109.02950	1.9
110.61423	1.8
111.00877	7.0
111.08149	4.2
113.02409	4.1
115.00369	71.2
117.01956	3.9
121.06586	5.1
122.03777	2.9
123.08176	16.4
125.09704	2.1
127.07704	2.4
127.71121	1.7
136.05284	5.1
137.09717	2.2
139.00391	7.8
139.07639	8.9
150.03235	4.6
151.07635	44.6
151.08810	2.6
152.07962	2.4
153.09190	5.3
153.57509	2.0
155.07117	8.3
157.01414	8.5
163.07613	2.0
165.05515	2.2
165.09178	22.0
167.07123	5.3
169.08662	4.1
173.08183	2.8
175.02458	100.0
181.08676	7.3
183.10245	2.3
184.92476	2.0
185.67642	2.1
193.05035	4.2
193.08685	22.6
211.09760	24.9
213.07706	5.3
237.07698	13.3
255.08810	3.6
273.09775	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36119	0.6
57.03437	0.8
58.02971	2.7
59.01381	3.9
59.03316	0.7
60.99302	13.2
63.17194	0.6
71.01379	6.2
71.51697	1.2
72.00889	0.7
74.02463	3.7
75.02819	0.9
83.01361	0.8
85.02941	0.7
86.02473	1.7
87.00880	9.5
87.02750	0.7
87.05648	0.9
88.98803	100.0
89.99114	0.9
92.05015	0.7
97.02969	1.1
97.04106	0.8
98.02450	1.0
99.00919	0.7
99.05632	5.0
100.05996	2.6
101.07285	0.7
114.05610	2.8
115.00365	14.5
119.05017	1.2
121.02890	0.6
121.71651	0.6
128.03539	9.8
128.92712	0.7
129.03891	6.7
130.08722	5.6
131.08308	1.3
135.04462	0.7
137.02444	2.0
141.01917	0.7
143.04611	14.7
143.11894	6.0
144.04988	10.7
158.02844	1.5
165.01895	2.1
167.10110	0.7
168.05008	0.7
175.02458	19.7
180.04918	1.9
183.02954	14.8
193.07729	1.0
201.09203	6.1
203.81320	0.6
211.09300	3.3
229.10008	1.5
229.11929	6.2
244.91411	0.7
255.08241	3.6
272.92590	1.5
273.03610	2.5
273.09485	7.2
273.12137	1.0
273.13229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
50.42395	1.1
54.13719	1.2
55.01871	2.5
57.03439	2.8
59.01365	2.8
68.99787	1.9
71.01379	8.1
71.51950	1.2
72.99289	2.8
81.03494	1.3
83.01389	6.8
85.02937	3.8
95.05040	2.0
97.06587	6.9
99.00851	3.5
108.02209	1.5
109.02913	2.1
109.06565	4.2
111.00883	2.3
111.08118	3.5
112.98789	3.6
123.08134	4.1
124.98711	1.1
125.02451	1.5
125.06041	5.4
125.09710	31.5
129.01938	1.5
135.08112	4.7
137.06071	5.0
137.09679	2.2
139.07611	2.4
139.08595	1.2
141.09229	1.4
142.99854	4.3
147.04561	1.5
151.07581	1.6
153.05554	5.1
153.09219	11.8
154.99820	3.5
165.05478	1.9
169.08669	2.5
173.00867	4.6
174.01675	54.0
175.02237	1.9
179.07083	1.5
193.01265	1.1
193.05046	1.9
197.04495	2.8
197.08160	5.3
227.09241	2.3
241.07275	1.9
271.08200	100.0
272.08621	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	270.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49605	0.4
53.00314	0.4
54.39211	0.3
61.98808	0.4
70.24796	0.8
71.01375	5.3
78.91882	1.5
78.95900	42.7
87.00876	0.6
87.92535	0.5
91.26958	0.3
93.03472	0.4
96.96955	100.0
99.00884	1.3
103.92046	0.5
112.98782	1.0
124.98788	3.3
128.85315	0.4
129.01941	0.7
133.01414	0.5
134.52458	0.4
135.03033	0.4
140.98332	0.4
142.99850	34.9
144.00200	0.8
160.91737	0.9
167.19502	0.4
173.00894	15.1
173.04466	0.7
236.75429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.83343	0.7
53.39095	0.6
63.02394	9.1
65.00321	15.2
68.80369	0.7
71.00519	1.3
73.33249	0.6
74.70744	0.6
83.01376	10.2
93.03465	13.4
100.38151	0.6
107.01385	24.7
108.02175	0.6
109.02970	1.1
117.32236	0.7
119.05025	70.1
120.05358	1.2
121.02966	1.0
125.02440	1.6
145.02917	1.0
151.00369	63.2
152.00764	1.0
156.93661	0.7
161.06090	1.8
165.00735	0.8
165.01884	3.5
169.01434	1.4
177.01936	9.7
185.06073	1.4
187.04004	3.1
227.07126	1.3
271.06097	100.0
271.15506	2.3
272.06461	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	271.061
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
62.57585	0.3
63.02394	8.5
65.00320	17.2
71.01373	0.4
72.99300	0.4
75.01403	0.4
75.06173	0.4
81.03436	0.5
83.01383	11.2
93.03455	11.5
95.01325	0.4
95.78912	0.3
98.20621	1.4
107.01384	26.7
108.02222	0.7
108.99300	0.3
109.02937	0.7
117.03442	0.5
119.05021	73.1
120.05337	1.8
121.02946	0.8
125.02429	3.4
137.02452	0.9
142.99867	0.4
143.04994	1.0
145.02945	2.6
149.94171	0.4
151.00360	75.2
152.00682	2.0
161.06024	1.9
165.01915	3.8
166.02707	2.1
167.04910	0.5
169.01413	1.6
174.01653	3.0
177.01927	9.2
183.06763	0.4
185.06030	1.7
187.03996	4.7
195.71652	0.4
202.57697	0.4
215.03439	0.4
227.03484	1.1
227.07069	1.9
229.01474	0.4
243.02835	1.1
257.53424	0.5
271.02588	8.7
271.06085	100.0
272.03439	0.5
272.06372	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	269.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53807	0.4
57.97600	0.3
58.02968	1.5
59.01377	1.0
66.03467	0.7
69.23434	3.3
70.89716	0.3
77.93855	0.3
79.22587	0.4
80.05039	0.6
96.00900	0.3
98.20608	0.8
99.43823	0.4
102.98613	1.5
114.05602	100.0
115.05947	1.5
126.09236	6.8
147.04211	0.4
154.08731	25.0
155.09052	0.9
160.08141	0.4
164.30125	0.4
168.09065	0.5
205.13295	0.6
225.16061	12.6
226.16444	0.5
227.13986	0.6
243.60350	0.4
269.04599	0.8
269.15051	27.7
269.21219	1.3
269.24774	1.0
270.01636	0.5
270.15363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.5
61.98826	0.5
62.16927	0.5
69.87449	2.2
89.02469	0.5
98.20647	0.6
102.51329	0.4
107.01266	0.5
157.76926	0.5
181.06557	0.6
186.95561	0.9
191.64496	0.5
225.05542	49.0
225.14903	1.2
226.06320	29.4
227.06657	1.5
254.05812	43.5
255.06210	2.4
269.08154	100.0
269.21194	4.6
269.24786	3.0
270.08514	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	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01673	0.7
55.01874	8.2
57.03222	0.7
57.03440	6.8
58.00579	2.6
59.01378	44.3
60.03831	0.8
64.90276	0.7
69.03473	1.2
71.01380	100.0
71.51668	0.8
72.30772	1.1
72.99297	3.7
73.02943	38.7
73.38012	0.8
74.02464	1.4
75.00872	2.6
82.38557	0.8
83.01389	17.5
85.02948	51.5
86.00108	1.0
87.00887	5.3
89.02453	6.4
95.01381	9.7
97.02942	2.5
99.00874	16.4
101.02440	83.4
107.04999	2.7
113.02448	41.5
123.04507	1.6
125.02404	2.2
129.01927	1.9
137.13658	1.0
143.03476	2.6
151.04002	5.5
159.02968	10.1
161.04547	31.7
173.66176	1.0
192.78993	0.9
205.03548	1.5
269.04565	2.4
269.10315	12.0
269.21204	4.0
269.24750	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	269.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53807	0.4
57.97600	0.3
58.02968	1.5
59.01377	1.0
66.03467	0.7
69.23434	3.3
70.89716	0.3
77.93855	0.3
79.22587	0.4
80.05039	0.6
96.00900	0.3
98.20608	0.8
99.43823	0.4
102.98613	1.5
114.05602	100.0
115.05947	1.5
126.09236	6.8
147.04211	0.4
154.08731	25.0
155.09052	0.9
160.08141	0.4
164.30125	0.4
168.09065	0.5
205.13295	0.6
225.16061	12.6
226.16444	0.5
227.13986	0.6
243.60350	0.4
269.04599	0.8
269.15051	27.7
269.21219	1.3
269.24774	1.0
270.01636	0.5
270.15363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54325	0.6
60.63555	0.7
65.99841	0.7
66.99128	0.6
71.52360	1.0
81.03465	1.2
83.01403	3.5
85.02971	0.7
94.03006	1.2
96.00900	0.9
98.02459	4.2
98.99587	0.8
108.04546	1.2
108.98763	0.5
109.02946	1.5
110.02496	1.0
114.01965	5.1
116.77472	0.5
118.03004	0.7
120.04599	1.2
122.02466	1.9
124.00403	1.3
125.02444	2.4
126.67570	0.7
134.02498	1.1
136.04044	7.4
136.07738	0.9
137.02455	2.2
138.01959	1.7
140.03529	1.8
142.01447	10.3
150.01947	2.6
151.99910	1.8
152.03532	22.7
153.03841	0.7
154.05002	0.7
156.03026	13.4
157.03543	0.6
158.04564	0.7
164.02148	0.9
164.03519	17.5
166.01422	3.4
180.03020	39.5
181.03503	1.3
184.02483	6.3
191.99141	0.7
192.02948	1.9
192.06750	1.5
193.42004	0.6
198.04018	1.7
200.05716	0.9
208.02499	100.0
209.02898	3.0
226.03609	3.9
236.01973	8.5
237.02232	0.7
251.02127	0.7
259.95709	0.6
268.04602	73.4
269.04834	3.5
269.07904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
51.22446	0.2
52.80580	0.3
54.82057	0.3
62.86280	0.3
64.57089	0.3
65.50828	0.3
66.46960	0.2
71.28684	0.7
101.06577	0.3
105.88864	0.3
121.57886	0.3
139.47746	0.2
180.05826	0.6
181.06627	1.5
182.03670	0.9
185.05984	0.3
195.04538	0.3
196.05411	0.4
197.06062	2.2
210.03191	1.2
213.05591	0.6
224.04765	0.8
225.05539	15.8
226.05922	0.8
227.03444	1.1
240.04361	0.3
241.05048	5.4
242.05310	0.4
269.04523	100.0
270.04868	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	269.0818
Annotation	Nudol
Peak:m/z	Relative Intensity
59.01395	0.3
65.35440	0.5
66.41576	0.4
69.33395	2.4
73.77813	0.3
74.39164	0.4
76.32653	0.3
86.41127	0.3
89.02428	0.4
93.03486	0.4
137.02411	0.4
163.11897	0.4
197.05829	0.4
198.06926	0.4
225.05460	1.4
226.06389	2.2
254.05830	100.0
255.06168	5.3
269.08170	63.6
269.21228	6.4
269.24799	1.6
270.08493	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
54.23213	0.9
57.03432	3.8
59.01377	24.3
62.16802	0.8
67.01857	1.0
71.01379	33.6
71.50771	1.4
72.99305	3.8
73.02928	2.4
75.00879	13.6
78.95932	2.3
83.01389	1.1
83.35267	0.9
84.60959	0.8
85.02944	31.6
87.00867	16.9
88.04039	16.7
89.02438	10.5
90.95368	0.8
93.03442	1.0
95.01395	5.7
95.37040	1.1
99.00871	7.3
101.02426	3.9
103.00364	3.7
105.01908	3.5
111.00890	2.0
113.02442	34.1
115.00346	1.6
117.01923	2.7
119.03483	1.7
127.03997	1.2
129.01927	2.3
132.02121	1.2
132.02986	5.7
149.04582	1.1
165.06717	0.9
169.98578	6.0
175.02457	1.9
187.66710	0.9
191.05603	70.2
192.05908	2.2
193.03520	2.1
193.06079	2.6
201.06261	0.9
205.52234	1.4
207.05124	1.0
242.82350	1.1
249.06125	4.4
267.07187	100.0
268.07465	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	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89456	0.5
61.98828	100.0
70.84733	0.8
70.85056	0.8
71.01417	0.6
88.04043	0.6
95.95152	0.6
99.00916	0.6
109.84719	0.5
109.96210	0.5
127.75840	0.6
135.03145	1.7
136.03506	1.6
210.73451	0.6
268.07819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	Dorstegin
Peak:m/z	Relative Intensity
59.01377	10.1
61.98837	3.1
68.52599	1.5
69.98614	5.3
73.02940	2.0
73.64256	1.4
83.01376	1.9
87.00882	2.1
101.02440	1.6
113.02454	2.2
121.02958	3.1
136.15775	1.5
158.29459	1.7
197.06058	100.0
198.06389	3.2
209.04572	2.2
223.07632	5.4
267.06598	50.0
267.09430	2.6
267.15973	2.0
267.19461	3.4
268.07028	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.066
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01376	2.4
59.73984	0.3
63.02060	0.4
66.34908	0.3
69.28155	0.8
69.28561	2.2
73.02941	0.5
73.52132	0.4
83.01373	0.8
98.20646	0.7
101.02412	0.4
102.55042	0.4
108.64331	0.3
113.02468	0.4
113.63813	0.3
117.09372	0.4
118.23634	0.4
121.02929	0.4
122.48901	0.4
124.74009	0.4
141.01917	1.0
162.02068	0.4
169.01384	0.5
179.05019	1.6
181.06561	2.7
187.82059	0.3
188.89986	0.6
195.04512	0.9
196.05281	3.1
207.04535	0.8
209.04584	0.5
211.03983	1.0
212.04758	0.7
213.01909	0.7
223.07538	0.9
224.04730	6.7
225.05530	13.9
226.05960	0.5
227.03484	4.8
228.04367	0.4
239.07103	2.2
251.03391	0.5
267.06580	100.0
268.06906	6.4
270.26147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
64.99593	0.3
65.98402	0.2
67.33948	0.3
70.26794	0.9
73.23105	0.3
78.95902	39.3
96.96959	100.0
105.01904	0.3
125.36034	0.3
140.21010	0.2
151.04050	0.4
168.99107	0.4
181.29817	0.3
267.01526	0.5
267.06427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.68055	0.1
51.44999	0.1
51.55306	0.1
58.06225	0.1
59.01368	0.2
59.27001	0.1
60.72653	0.1
66.46584	0.1
69.56128	0.3
69.56536	0.4
71.01353	0.1
77.87175	0.1
85.02932	0.2
89.02485	0.2
92.02538	1.3
98.20630	0.2
107.03629	4.6
126.68183	0.1
134.04718	100.0
135.03447	0.1
135.05154	1.4
140.59996	0.1
229.04358	0.1
266.08926	6.4
267.06918	0.3
267.09436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23485	0.6
55.01887	0.8
56.98018	1.1
57.03429	0.8
58.00588	2.2
58.99591	2.4
59.01379	61.1
60.99314	1.3
69.94074	0.7
71.01381	38.9
71.50751	0.9
72.01707	0.8
72.99314	4.7
73.01173	2.1
73.02938	2.5
74.99110	1.4
79.89107	0.7
83.01371	1.6
85.02945	32.3
87.00867	8.8
87.02741	2.2
88.98804	8.2
89.02441	45.1
92.02537	1.0
95.01398	2.6
96.95985	1.1
101.02436	21.3
103.04000	2.8
107.03664	4.2
111.00911	0.9
113.02448	16.7
115.00362	8.6
119.03494	20.4
119.04934	0.8
131.03525	1.2
134.04723	100.0
135.04871	7.8
143.03470	4.5
145.02954	1.7
149.04575	0.9
161.04512	3.7
175.02473	18.3
177.05748	1.1
179.05603	4.9
191.05646	1.0
205.05273	1.9
221.09499	0.8
223.06488	1.3
247.02711	2.2
256.06891	0.8
261.18161	0.7
265.03644	0.8
265.09375	14.8
266.09021	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81644	1.6
57.03439	2.9
58.00603	4.0
59.01377	100.0
71.01382	52.6
71.50682	1.7
72.99306	3.4
73.02940	2.1
85.02953	22.5
87.00874	5.5
88.98798	2.3
89.02444	63.8
95.01363	3.3
96.01535	1.8
96.95985	2.4
101.02440	33.5
103.04009	26.3
113.02443	20.6
115.00354	4.2
119.03497	30.9
134.04733	4.9
135.04787	3.4
143.03487	6.1
149.04503	3.2
161.04613	1.8
164.10614	1.8
175.02467	4.5
179.05617	3.5
191.02020	2.0
238.82274	1.6
244.61984	1.8
261.16910	1.7
265.09262	99.3
266.09677	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	265.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92459	1.1
58.99595	1.6
59.01377	25.4
60.99306	7.5
71.01008	2.1
71.01379	24.0
71.51028	2.3
72.99313	2.8
73.01157	1.7
73.02944	2.8
81.73450	1.2
85.02941	7.5
87.00873	28.3
87.02715	1.3
88.98804	46.0
89.02447	9.5
94.98062	2.2
101.02434	5.3
103.04027	5.8
113.02441	4.4
115.00375	45.2
117.03872	1.5
119.03496	3.7
134.04700	3.2
135.04852	27.7
137.59543	1.4
175.02469	100.0
176.02870	3.2
191.05643	2.6
205.05371	1.4
223.06433	5.4
265.09427	21.9
267.19586	1.2
278.55762	1.2
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
59.01365	2.6
71.01398	0.5
71.52135	0.8
73.08515	0.5
89.50682	0.5
107.01312	0.8
135.79817	0.5
147.04532	0.5
175.04059	0.5
219.02832	0.9
263.20132	100.0
264.20532	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	265.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.3
60.99302	7.4
70.13630	6.6
71.01380	14.1
72.16982	1.7
72.99284	2.0
73.02952	2.1
85.02952	1.6
87.00868	27.3
88.98803	44.8
114.99580	2.7
115.00371	44.9
119.48377	1.8
122.19519	1.5
123.41248	1.8
175.02466	100.0
176.02675	1.8
193.88513	1.5
275.94769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	3.6
59.01381	6.4
59.69079	0.8
69.87315	3.3
77.86847	0.6
87.00883	3.1
87.02739	3.1
98.19960	0.9
107.01384	1.0
131.05371	1.6
133.06927	100.0
134.07304	2.2
142.75009	0.6
147.04468	1.4
183.94742	0.7
203.07448	5.9
219.02988	1.3
221.08531	16.0
247.11873	0.7
263.01987	1.4
263.09351	4.2
266.25842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99598	3.1
59.01381	5.2
65.13526	0.5
69.11522	0.5
69.36834	2.7
69.37247	1.3
87.00883	4.0
87.02747	2.8
87.60803	0.4
131.05354	1.7
133.06932	100.0
134.07253	2.0
146.26575	0.4
147.04482	0.6
159.08540	0.5
203.07442	7.0
221.08516	17.9
222.08900	0.5
263.01773	0.7
263.09558	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03433	3.6
59.01379	20.9
71.01390	8.3
83.01390	4.1
83.05016	4.3
86.61485	2.5
93.03470	2.4
95.05033	2.2
97.02958	12.1
107.01379	5.9
108.05774	4.7
109.02962	6.8
109.06613	2.6
111.04516	16.5
111.08169	3.4
113.06079	10.1
115.99841	2.4
119.08676	5.6
121.06625	4.1
122.03749	19.7
123.08135	10.8
125.06065	17.5
135.08168	3.8
136.05283	18.4
137.06081	5.7
138.06870	17.8
139.07643	42.3
147.04503	10.3
148.05270	7.6
149.06131	5.8
150.17839	2.1
151.07643	88.1
152.04788	9.3
152.08438	42.7
153.09181	14.6
159.11826	3.4
161.09703	9.6
163.07649	15.6
167.07158	5.0
170.05841	3.8
178.99837	3.4
189.09157	7.7
201.12872	35.6
203.10777	24.3
204.11514	68.9
204.13315	5.1
219.03023	8.7
219.13879	100.0
220.14227	5.1
235.09828	5.5
263.01923	9.6
263.09390	6.5
263.12881	21.2
264.09030	3.1
274.58075	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94692	0.2
57.88677	0.3
59.01384	2.1
61.98808	0.3
62.12809	0.3
67.01878	0.5
70.66366	0.7
78.44661	0.3
79.01884	0.8
81.03431	0.4
83.01376	6.4
85.02943	0.4
91.01900	2.0
98.19978	0.3
105.03439	1.1
107.86446	0.3
108.02151	0.5
110.00074	0.4
112.82835	0.3
114.13692	0.3
120.05807	0.6
123.00869	0.4
123.08158	1.7
124.01633	0.5
135.04485	0.5
135.08098	0.4
136.01685	0.4
137.02451	2.0
138.03229	8.1
147.04491	0.7
147.08153	6.4
149.02440	0.5
150.03220	19.9
151.03552	0.6
152.01123	0.8
153.01947	0.4
161.02464	0.5
162.03174	0.5
163.00383	0.7
163.03944	1.7
163.11238	1.5
164.04788	18.9
165.01895	1.1
165.05112	0.5
166.02701	7.9
170.02194	4.0
175.03967	0.3
176.04803	1.0
177.01910	0.4
178.02704	12.0
178.06194	0.3
178.99821	0.3
179.03313	0.8
179.07100	0.5
181.03992	0.3
191.03514	0.4
191.10707	0.5
192.04280	10.9
193.08664	3.1
194.02196	0.4
202.06230	0.5
208.03801	0.9
217.08698	2.8
219.03157	0.4
219.06598	5.0
219.10240	0.8
221.08209	0.4
234.05367	0.5
235.09740	100.0
236.10101	5.2
242.37756	0.3
262.40244	0.3
263.09229	87.2
264.09576	4.6
264.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45061	0.9
55.01876	0.9
57.03448	4.1
59.01366	2.0
60.99304	0.9
63.18000	0.8
66.03484	0.8
69.03452	4.4
69.95797	1.1
69.96146	3.8
70.02971	4.4
71.01392	4.8
75.00876	1.7
78.03497	1.8
79.01882	1.1
85.02949	48.9
86.02494	1.7
86.03309	1.1
86.06111	0.8
87.04507	6.6
88.04012	1.0
88.98809	3.7
89.02438	1.0
94.02985	1.4
96.00924	1.3
96.04549	100.0
97.02954	7.4
97.04877	2.3
98.02468	3.3
98.20528	1.8
99.00867	4.6
99.04495	1.3
109.02969	1.0
110.02449	1.3
112.04044	3.2
114.01970	1.9
114.05595	1.3
115.00358	1.0
115.03983	4.2
126.05583	2.6
128.03519	7.6
129.01939	12.0
132.02980	1.1
132.04839	0.9
133.01418	2.1
134.01762	2.3
135.02992	1.2
140.03551	4.1
141.01932	3.8
142.01457	19.5
144.03014	1.3
146.56654	0.9
156.06717	1.0
158.04585	23.8
159.02960	3.9
172.02536	2.9
184.46632	0.9
188.05634	1.1
200.05704	1.4
201.04076	1.3
202.03517	8.0
203.29243	0.9
219.05095	2.5
220.12520	1.0
262.05759	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	263.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
65.00323	0.5
71.41630	0.7
79.01908	0.9
82.79774	0.4
83.01376	5.8
83.56404	0.3
85.21667	0.4
91.01906	1.9
105.03474	1.3
108.06023	0.4
110.00101	0.4
119.08625	0.6
121.02943	0.4
123.08183	1.3
124.01656	0.4
133.02875	0.4
134.03726	0.4
136.01631	0.7
137.02449	1.1
138.03224	6.6
140.25995	0.5
147.08147	6.3
148.05296	0.6
149.02350	0.5
150.03220	18.5
151.03575	0.4
152.01149	0.7
163.03992	1.6
163.11302	1.6
164.04791	17.8
165.01924	1.4
166.02719	7.7
170.02208	2.4
175.04010	0.5
177.01883	0.4
178.02708	11.1
178.06357	0.5
179.03342	0.6
179.07140	0.6
187.46214	0.4
191.03465	0.4
191.10768	0.5
192.04286	12.2
193.04678	0.6
193.08682	2.8
194.02167	0.8
202.96924	0.4
206.06155	0.5
208.03670	0.6
217.08661	2.7
219.03139	0.5
219.06560	3.7
219.10255	1.0
235.09734	100.0
236.10078	4.3
241.50140	0.4
252.34526	0.4
263.09213	92.1
264.09561	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	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
58.00568	1.3
59.01377	35.3
70.95674	0.4
71.01353	0.7
71.51701	0.6
73.02942	7.0
74.02454	0.7
74.42040	0.5
81.09968	0.5
85.02960	0.6
96.04522	0.8
97.06566	0.7
103.90937	0.4
105.01881	0.4
111.08124	0.7
113.09711	1.1
118.97997	0.4
121.10236	0.6
123.08157	1.0
125.09719	3.0
131.05362	0.6
135.08125	0.6
135.20927	0.4
137.09697	1.6
139.11304	2.1
141.09152	0.6
143.07173	0.7
143.10750	0.6
146.14249	0.5
147.04553	0.4
153.01239	0.5
153.09212	13.0
155.10770	9.0
157.12332	0.8
171.10236	0.6
173.11833	5.9
183.07674	0.7
190.07008	0.4
201.11310	15.6
202.11682	0.5
217.05107	1.0
217.08698	0.5
217.10693	0.7
219.12357	100.0
220.12688	4.3
225.69199	0.4
227.06810	0.4
246.05383	0.4
261.04022	1.0
261.13422	17.9
262.13794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
57.03436	3.7
59.01350	1.0
69.03452	3.9
69.87196	2.2
69.87588	2.2
70.02977	5.1
71.01373	3.6
72.00887	1.2
73.02950	1.4
82.02980	1.6
83.05030	1.2
84.04552	1.1
85.02945	52.5
87.04514	6.9
88.98795	2.1
93.67165	0.9
94.02974	1.6
96.04548	100.0
97.02944	7.5
97.04899	1.8
98.02448	2.4
99.00881	4.0
105.01921	2.9
110.02499	1.5
110.89912	1.1
111.04539	1.9
112.04051	3.7
114.01942	1.6
115.00388	1.5
115.03973	3.3
117.10244	1.1
126.05596	3.3
128.03525	8.2
129.01920	12.9
133.01477	1.6
135.02986	4.1
138.05661	1.1
140.03500	3.1
141.01935	4.0
142.01460	18.5
144.02911	1.1
158.04579	19.7
159.02986	4.1
172.02458	3.2
185.99939	1.3
188.05620	4.0
200.05586	1.4
202.03540	9.1
219.05121	2.1
262.05612	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	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
59.01377	33.1
65.02773	0.7
69.03450	1.1
70.02983	0.9
73.02946	1.1
74.02467	7.4
78.17036	0.7
88.93066	0.6
93.99043	0.6
98.02486	1.5
109.06570	1.8
110.24765	0.6
111.08157	3.4
114.21386	0.7
116.03544	3.9
121.21360	0.7
123.08125	0.6
125.09743	4.9
127.07602	0.9
131.05334	2.2
132.04536	2.2
137.09714	0.9
139.55835	0.7
141.09229	2.6
143.10765	12.1
153.09116	0.9
155.10753	2.6
157.12320	3.3
201.11324	10.5
219.12355	100.0
220.12683	3.8
261.09021	3.3
261.13400	20.0
262.13916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01377	33.5
69.03484	1.1
70.01582	0.6
70.01917	2.1
71.05014	1.3
74.02477	3.3
83.05016	1.0
85.02941	0.9
85.06607	1.2
87.04513	12.3
95.05046	1.0
97.06566	2.8
98.02475	1.0
98.95672	0.4
99.04522	1.0
101.06068	2.1
105.47234	0.5
111.08202	0.6
113.06048	1.1
115.07643	1.8
116.03565	2.5
121.10204	0.5
121.81664	0.5
123.08157	1.0
125.09704	3.5
132.04570	1.4
137.09651	0.7
139.11292	0.5
143.10747	0.9
150.24483	0.5
153.09192	1.2
155.10812	3.1
157.12358	3.4
173.11787	10.9
178.07097	0.6
201.11302	17.1
202.11722	0.7
202.65880	0.5
214.13269	0.6
217.10655	0.6
219.12352	100.0
220.12671	3.2
261.08755	2.0
261.13385	14.3
262.13654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08699	0.8
53.78634	0.9
57.03436	2.5
59.90968	0.8
65.03931	0.7
69.45914	0.9
69.76939	4.3
83.01380	9.9
85.02947	13.4
88.93172	0.7
95.05003	1.7
98.58991	0.8
105.07059	2.0
126.82549	0.9
131.05022	1.8
132.05812	0.8
133.06595	43.4
134.06924	1.3
139.33852	0.8
144.05841	0.9
145.02963	2.3
146.03731	10.2
147.08145	5.2
149.06062	3.8
150.03223	1.0
159.04469	1.6
164.21970	0.8
171.08173	0.9
173.06056	2.2
173.09727	1.6
174.06841	1.7
175.07634	11.9
177.05605	1.3
187.03989	2.7
188.04837	2.0
189.09169	8.1
190.88007	0.8
191.07082	1.2
202.06250	1.3
217.08682	9.6
219.06642	0.9
233.08244	2.8
261.07648	100.0
262.07996	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	261.1129
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
56.79544	0.4
59.01376	0.4
61.98847	0.4
67.47517	0.3
70.07774	0.7
76.03214	0.3
83.01402	1.1
89.03962	0.4
103.70045	0.3
106.04234	0.8
107.05029	1.0
109.84393	0.3
117.03484	0.8
121.02959	1.0
121.77095	0.3
125.09734	0.6
133.01921	0.6
133.02950	15.0
134.03741	7.0
135.04517	84.6
136.04883	2.0
137.02443	4.3
139.04044	1.3
141.53880	0.4
145.06639	0.4
148.05255	1.7
150.03111	0.7
161.02423	24.4
162.02774	0.7
175.03937	0.7
176.04744	0.4
178.02699	1.0
179.03481	44.4
180.03796	1.5
197.90280	0.9
202.84468	0.4
209.54193	0.4
233.08124	4.2
234.08611	0.4
236.66138	0.4
243.02779	0.4
261.11276	100.0
262.11639	4.6
266.76144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.4
59.01375	32.7
69.03433	1.9
70.02963	0.9
71.01380	5.4
71.05013	1.4
71.25700	1.2
72.99310	4.5
73.61705	0.6
78.95908	1.2
83.05008	1.1
85.02947	11.6
85.06572	0.7
87.00851	2.1
87.04508	7.9
88.98827	1.3
93.03436	0.6
95.04996	0.7
96.04550	17.0
96.96986	0.6
97.02943	2.1
97.06579	2.5
97.54572	0.5
99.00887	2.1
101.06065	2.0
104.92780	0.7
107.08683	0.8
109.06573	0.8
111.08133	1.6
112.04030	1.1
112.98805	1.0
113.06108	0.8
115.00375	13.2
115.03992	0.8
115.07664	0.9
119.05003	1.7
123.08074	0.7
125.09721	4.1
128.03519	1.8
129.01982	3.4
133.01424	30.6
135.04506	0.8
141.01926	0.7
141.09198	1.3
141.10355	0.5
142.01515	3.5
143.10765	5.3
152.95898	2.6
153.09244	1.2
155.10759	2.2
157.12309	3.2
158.04611	2.9
159.02946	0.8
163.03964	1.4
170.97006	2.6
173.11813	6.8
181.05061	3.3
199.00644	0.7
201.11305	17.3
202.03549	1.6
219.12355	100.0
220.12733	2.6
243.48749	0.6
261.00745	3.9
261.13412	15.1
261.16095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01368	0.9
69.87595	1.4
69.88011	2.0
83.01382	12.2
83.52693	0.6
85.02954	1.1
93.03458	0.9
95.05030	3.7
104.02684	0.9
105.07108	1.4
106.06551	0.6
106.20023	0.7
110.30064	0.6
117.03460	0.8
118.04091	0.7
119.05042	0.8
119.08651	0.9
129.07095	1.0
131.05026	1.1
132.05775	2.2
133.06593	18.0
133.07549	1.3
137.02467	1.6
140.19904	0.6
141.87985	0.7
145.02959	4.2
145.10199	0.9
146.03734	30.6
146.04895	1.5
147.08150	7.7
149.06065	2.1
150.03201	1.9
157.06580	1.2
159.04512	1.5
160.05272	1.6
161.02402	1.4
161.09727	2.7
162.03159	0.9
171.08165	1.8
173.06090	4.3
173.09703	2.6
174.06825	2.9
175.07631	20.6
177.05534	1.3
178.02718	0.7
183.07652	0.6
187.03944	3.9
188.04800	2.6
189.09212	9.9
191.07135	1.5
199.07616	0.9
201.05479	1.6
202.06331	3.4
205.08618	1.4
215.07069	1.3
217.08659	15.6
227.06805	0.9
231.95547	0.7
233.08142	4.9
261.07651	100.0
262.07996	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.03444	2.1
58.02966	1.1
59.01375	13.9
67.15621	0.7
70.02972	1.4
70.98811	1.5
71.01373	1.5
71.05026	1.0
72.99302	14.1
73.02943	2.4
74.02483	7.6
75.00863	2.4
78.95922	0.8
79.95730	6.8
80.96513	2.2
81.03455	2.5
83.01364	1.5
83.05013	3.7
85.02959	1.3
87.00886	1.0
87.04511	1.0
87.59772	0.8
87.92487	0.9
93.03453	18.4
94.12561	0.8
95.05016	2.6
96.04539	2.2
96.96007	2.6
97.02941	1.2
98.02486	1.7
103.04019	2.1
107.05011	1.9
109.02939	2.2
111.08142	1.6
115.07651	1.4
116.03522	3.8
119.05022	42.4
120.40130	0.7
121.02946	1.6
121.66623	0.8
123.04540	0.9
125.02427	2.4
125.09709	2.5
128.03566	0.9
132.04671	2.7
133.01376	0.8
134.03751	1.6
134.97832	0.7
135.04524	26.6
136.04895	1.1
137.02460	8.1
137.06067	0.9
139.04019	1.1
143.10704	2.4
144.04549	1.2
147.04509	1.8
149.06059	3.3
153.05530	2.4
153.09279	1.1
153.91855	0.7
154.57460	0.8
155.10736	1.5
157.12331	1.2
158.03674	1.0
159.04526	1.8
161.02466	3.5
162.03168	0.9
163.03996	37.2
165.01892	1.3
173.06044	1.9
173.11818	1.7
175.04015	2.5
176.04761	0.9
177.01920	1.2
177.05524	5.4
178.02724	1.1
181.05049	74.3
182.05376	1.9
189.05495	1.7
191.03455	1.5
191.07117	1.7
199.00667	16.0
201.11275	6.0
203.03406	4.4
204.04236	6.3
215.00117	6.8
215.07181	1.5
217.01437	1.2
217.05035	1.1
218.05794	1.6
219.03186	1.3
219.06598	24.8
219.12350	41.3
220.06718	1.0
233.04462	1.3
243.06631	2.5
246.05624	0.9
261.00714	100.0
261.07617	45.4
261.13333	9.5
261.22079	0.9
262.01007	3.0
262.07983	1.1
279.00061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23224	0.9
59.01370	3.8
67.62765	1.1
69.40563	8.0
69.70114	0.9
74.02471	7.6
78.95889	1.4
83.25262	1.0
87.46065	1.1
95.45828	1.0
96.96933	1.7
100.75658	1.1
136.07611	1.2
155.10756	2.7
169.12328	100.0
170.12679	5.2
171.10239	8.6
176.83537	1.0
180.38626	1.1
181.13382	4.9
209.11790	1.1
213.11119	7.1
217.10844	1.6
225.12471	5.0
227.03903	1.0
231.03078	1.3
231.12331	9.8
259.02338	1.8
259.06082	2.2
259.11752	3.6
260.05582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0926
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
54.44359	0.2
59.01364	0.4
65.00314	0.7
67.01889	0.3
70.66312	0.5
70.66677	0.2
77.03951	0.4
79.01903	0.4
81.03455	2.0
82.60905	0.2
83.01379	6.7
83.89169	0.2
92.05035	0.7
93.03461	0.5
93.32712	0.2
94.06620	8.0
94.42329	0.2
99.92591	0.4
100.92530	0.2
106.06622	0.3
116.04964	0.2
119.03783	0.3
120.00916	0.2
120.08167	0.2
121.02966	1.7
122.02465	0.3
123.04519	0.2
125.02435	0.9
130.06589	0.4
131.03648	0.2
132.08192	2.5
134.06113	4.4
135.08154	0.3
145.05339	0.4
146.09724	0.6
148.07721	0.4
150.09236	3.3
153.01958	0.9
156.08188	0.9
158.06102	3.3
159.06882	1.2
160.04016	0.3
162.01974	0.6
163.02745	0.5
164.03453	0.2
166.02740	0.3
171.03181	0.3
172.07634	0.4
174.05647	0.3
174.09229	5.2
175.09554	0.2
176.07144	3.3
177.14171	0.2
181.03798	0.5
186.05569	0.3
188.03461	0.3
189.04326	0.7
190.08806	0.2
198.09183	0.5
200.07156	1.2
202.05032	0.3
204.04338	0.3
205.03748	0.3
213.04250	0.4
214.08760	1.3
215.02148	0.4
216.06996	0.4
216.10281	7.8
217.10507	0.3
218.08202	10.1
219.06580	0.4
220.06055	0.2
230.04568	0.3
231.05354	4.4
232.09743	0.5
242.08217	3.9
244.06149	3.9
245.06644	0.3
260.09253	100.0
261.09576	4.7
283.46683	0.2
283.52658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
57.15030	0.7
59.01349	1.0
60.99307	1.1
70.29310	0.6
70.84702	1.4
71.01374	5.2
72.00887	0.9
72.99290	1.5
74.28337	0.7
78.95899	87.1
84.66055	0.6
87.00878	1.1
87.05640	0.9
88.04035	14.3
88.98801	5.1
92.01178	0.7
96.96957	100.0
101.02475	1.1
112.04030	0.8
114.01940	1.3
115.00369	5.2
132.03017	42.0
133.01430	1.5
138.98015	6.6
168.99010	2.0
169.98596	14.0
170.01071	0.7
184.00165	2.3
187.02715	1.2
199.00139	3.0
213.05064	1.0
222.82945	0.7
223.00040	0.9
240.97607	1.8
241.01048	1.0
258.98959	1.6
259.02200	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	259.0611
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
52.19757	1.0
59.01374	3.8
59.53513	1.2
61.98840	1.6
64.26149	0.9
68.98708	0.9
69.25027	0.9
71.52071	1.7
75.04601	1.0
82.54433	0.9
83.01379	1.1
89.34490	1.0
93.37738	0.9
99.38293	1.0
99.92583	2.7
104.52444	0.9
113.02493	1.0
133.02939	1.7
135.25209	0.9
149.02420	1.6
161.02524	1.2
174.03201	7.9
187.03909	2.8
188.04770	37.3
189.05083	1.8
196.50475	1.1
201.01964	1.3
215.03459	6.3
216.04257	75.8
217.04753	6.1
220.03731	4.4
231.06656	6.8
235.91365	0.9
243.02971	11.7
244.03741	23.9
245.04071	1.9
248.03217	5.1
259.06082	100.0
260.06458	4.4
276.02808	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	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.3
75.47794	0.8
85.52792	0.7
98.87826	0.8
127.11227	0.9
127.47760	0.8
137.09731	7.5
155.10774	100.0
156.11081	3.2
171.10257	25.4
181.08669	1.6
199.09755	39.6
200.10030	1.0
207.35513	0.8
208.99486	0.7
215.12852	1.0
217.10791	97.0
218.11179	4.6
259.11819	21.6
273.55182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.2
69.16269	6.1
82.31637	0.5
83.05035	1.1
84.30125	0.6
127.11299	0.9
137.09714	6.6
155.10773	100.0
156.11099	2.7
156.72562	0.6
171.10251	23.3
181.08664	1.8
197.11823	1.8
199.09744	40.5
200.10127	1.0
216.04337	1.0
217.10791	93.7
218.11136	2.7
241.05089	3.1
259.06180	4.2
259.11823	24.6
260.06458	0.6
260.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
54.00061	0.3
58.64332	0.3
59.01366	0.3
63.96434	0.3
71.01391	2.7
71.51173	0.3
72.99321	1.5
73.02964	0.4
78.95902	83.0
87.00879	0.6
88.04034	2.7
88.98817	0.8
89.02444	0.7
89.51361	0.3
96.96959	100.0
101.02445	0.5
102.35584	0.3
114.01978	0.3
115.00381	1.2
132.03030	8.5
133.01414	0.8
138.98015	5.5
148.96684	0.3
166.97426	0.4
168.99086	3.0
169.98602	2.8
171.00648	0.5
187.02682	0.5
199.00122	3.4
223.00121	0.7
236.91339	0.3
237.42404	0.3
240.97560	1.3
241.01138	0.8
242.07629	0.3
251.85310	0.3
259.02209	29.9
260.02649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.098
Annotation	Proacacipetalin
Peak:m/z	Relative Intensity
50.47376	0.8
51.01437	0.6
54.53057	0.7
59.01381	1.1
61.98028	0.7
63.01805	0.6
63.51350	0.7
63.80642	0.6
64.51311	0.7
69.03445	10.1
69.65341	1.8
69.65751	2.1
72.04547	2.5
72.99298	2.0
81.89002	0.7
82.02991	4.5
83.01392	1.2
84.04549	5.6
85.02940	12.5
89.37553	0.7
96.04543	2.6
96.96955	0.8
98.06126	5.1
98.19940	1.3
100.04056	1.9
101.02421	5.3
107.97930	0.6
111.03268	0.9
111.04528	0.8
111.08173	0.8
112.04039	2.9
113.02445	9.1
121.06608	5.0
122.09761	1.9
124.07677	1.1
126.05618	4.3
126.09206	2.3
128.03537	31.4
129.01936	18.4
130.08736	23.7
131.03442	1.4
138.05583	1.6
138.09261	3.4
139.07668	1.0
140.07147	1.7
140.10806	1.9
141.10338	1.0
148.07677	0.8
150.09242	4.9
152.10825	1.2
154.08734	4.9
166.08701	3.6
168.10234	3.3
178.08684	0.7
179.11902	0.8
184.09781	11.0
194.08130	0.8
196.09790	6.1
197.12906	1.8
210.07869	0.9
212.09277	14.4
213.09668	0.8
214.10841	4.9
223.10818	3.5
240.08765	17.3
241.09146	1.3
241.11899	2.6
258.09793	100.0
259.06204	0.8
259.10095	3.9
259.12936	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	259.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.6
60.99305	11.8
61.08500	1.0
64.81854	1.0
67.18359	1.3
68.91759	1.1
70.93195	1.2
74.02457	1.4
78.95898	74.5
83.01379	1.8
88.98801	91.9
96.96958	100.0
100.90646	1.3
104.51054	1.3
112.98873	1.2
125.02448	7.0
128.03528	8.9
130.08716	3.5
138.98000	5.5
168.99098	2.0
169.01410	9.9
170.06860	1.3
199.00169	2.5
199.09714	1.5
201.38457	1.1
212.70351	1.3
213.12343	1.5
214.12894	1.3
215.12939	3.3
217.71313	1.3
234.44489	1.2
241.01187	1.2
241.09084	1.4
259.02252	27.5
259.12729	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	257.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60888	1.3
56.42918	1.3
58.02959	2.8
68.05068	1.3
70.11813	4.7
72.00904	3.2
74.02470	12.6
74.91533	1.1
78.62067	1.1
81.71563	1.0
82.02972	12.5
84.04541	12.1
86.02482	4.8
98.19919	1.2
101.07188	4.8
111.03278	1.9
112.04041	4.7
126.09279	1.4
127.05139	12.7
128.03543	81.1
129.03874	1.7
131.57024	1.2
137.10901	1.1
138.09270	3.0
140.07207	1.4
155.11848	2.0
167.11978	1.7
169.13458	7.9
183.11377	2.4
195.09702	2.2
195.11366	20.6
195.13011	1.8
195.15094	1.3
196.11678	1.2
208.30049	1.1
213.12440	100.0
214.12805	4.6
233.06126	1.4
239.10368	9.6
251.07744	1.3
257.11420	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82685	0.8
55.01868	1.0
69.03456	1.7
69.84695	2.2
69.85108	1.2
71.01394	0.6
71.04992	1.2
72.04541	2.9
78.95905	4.5
82.02979	8.3
83.01385	2.2
83.05009	0.7
84.04546	1.7
86.06108	2.2
88.98800	0.9
94.02979	10.5
96.04544	13.6
96.96951	4.4
97.54833	0.5
98.02466	3.4
99.00870	2.0
100.04018	1.0
105.01887	0.8
108.04532	1.1
110.06148	0.6
112.04026	3.5
112.98758	0.8
121.13173	0.6
122.06120	1.5
124.07671	1.1
127.05169	0.7
128.03569	0.6
129.01941	1.0
129.03954	0.6
130.05098	3.5
130.08760	1.4
134.06084	1.4
148.68719	0.5
150.05592	2.1
152.07162	100.0
153.07581	2.7
154.09828	0.8
178.05086	5.1
196.06137	12.0
196.14413	0.6
210.04317	1.0
214.10818	0.9
222.03999	0.8
240.05110	22.1
240.10855	0.7
241.05170	1.1
258.06152	16.9
258.14557	1.4
259.02292	0.8
259.06082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25547	0.8
58.02973	1.5
58.51120	0.8
59.54817	0.7
69.82438	2.0
69.82832	1.9
72.00918	4.2
72.04543	1.4
74.02474	12.4
78.95920	1.1
82.02981	11.1
84.04545	11.0
86.02481	5.1
98.02480	1.0
98.20542	1.5
101.07200	6.9
109.04057	1.1
111.03243	1.0
126.09225	2.7
127.05139	11.6
127.09565	1.8
128.03539	80.7
128.07191	1.7
138.09247	2.3
139.08737	1.7
152.07185	1.8
167.11928	1.5
169.10652	1.1
169.13472	9.3
193.09753	1.1
195.09737	1.4
195.11385	19.2
196.11655	0.9
211.08009	1.2
213.12436	100.0
214.12738	3.4
239.10223	1.9
240.05057	1.2
257.08524	4.7
257.11398	10.8
258.08646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0826
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
55.01883	1.5
56.13192	1.0
69.03454	1.4
70.04025	5.2
70.58989	1.1
72.04537	8.1
72.15350	1.2
82.02988	12.3
83.01383	4.6
84.00923	2.0
84.02156	1.0
98.02462	2.6
99.08164	4.9
100.04042	5.8
111.03233	2.6
111.04510	2.6
121.06590	21.3
124.07680	2.8
125.84911	1.3
126.05635	9.0
126.09250	50.2
128.03523	2.9
138.05569	5.9
138.09265	5.5
139.07646	4.7
140.07253	1.5
140.10773	2.7
148.07680	2.7
150.09251	15.8
151.07591	1.8
152.07172	3.1
154.08745	16.3
156.06662	1.6
164.07178	1.6
166.08733	3.8
167.07109	1.7
168.10291	5.2
169.08717	2.4
184.09761	9.7
194.08214	3.2
196.41104	1.1
198.74669	1.1
210.07706	24.2
212.09279	31.7
228.08733	7.1
255.23236	1.5
256.08258	100.0
256.23630	2.0
257.08694	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	256.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
57.03438	2.7
60.99321	1.9
61.98820	5.4
63.99247	2.8
64.82101	1.7
67.56535	1.7
68.98152	1.9
69.03462	2.2
71.51488	1.9
72.00914	2.4
72.04545	32.6
74.02469	4.9
80.20758	1.9
81.03457	2.8
82.02974	22.1
82.62455	1.6
83.01386	10.2
83.04990	1.7
84.00855	2.4
84.04530	5.0
85.02961	2.1
88.98817	2.3
93.07110	1.7
96.96941	2.2
98.02487	5.6
99.08146	4.4
100.04033	8.4
101.07159	3.7
103.57247	1.7
108.04602	2.4
111.03217	3.2
111.04531	3.8
121.06565	17.3
125.92145	1.8
126.05592	12.4
126.09248	46.2
127.00377	2.7
127.05104	3.8
128.03552	28.6
133.55089	2.1
136.13054	1.8
138.05595	4.3
138.09229	8.2
139.07655	2.1
140.07201	2.0
140.10817	16.8
148.07631	2.2
150.09264	13.2
151.07605	2.5
152.07141	2.1
154.08713	19.1
166.08763	10.6
168.10304	26.5
169.13538	3.2
178.05109	9.7
184.09773	10.0
194.08221	4.6
195.11281	4.2
210.07693	28.4
212.09282	44.0
213.12437	31.1
228.08734	6.5
238.07158	6.3
256.08255	100.0
256.23602	5.2
257.08630	3.3
257.11206	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	256.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03421	1.0
58.55098	0.9
59.37589	0.9
68.05070	0.8
69.31113	0.9
70.52753	0.9
70.83344	1.1
70.83678	2.0
72.00930	0.9
72.04552	7.7
72.46444	1.1
74.02462	2.4
80.71407	0.7
82.02969	11.3
83.01363	3.1
84.00950	1.4
84.04530	2.4
86.02484	0.9
96.04547	1.0
98.02473	2.1
99.08137	2.7
100.04031	4.4
101.07186	1.1
111.03268	2.0
111.04523	2.2
111.08123	1.1
115.69437	0.9
121.06581	13.0
124.07698	2.5
126.05618	9.1
126.09244	36.0
127.05090	3.5
127.06012	1.0
127.09599	1.8
128.03537	19.8
136.07597	1.0
138.05579	4.1
138.09253	4.8
139.07643	2.4
140.10802	3.5
148.07634	2.3
150.09232	13.9
151.07602	1.3
152.07161	1.4
154.08733	14.2
166.08693	3.4
167.07088	1.2
168.10262	8.6
169.08704	1.4
169.13443	1.6
182.08231	1.4
184.09793	7.3
194.08171	2.9
195.11375	4.9
210.07733	21.9
211.08112	1.1
212.09261	28.5
212.11229	2.0
213.09474	1.2
213.10292	1.5
213.12431	26.2
228.08832	6.2
239.10338	1.5
256.08240	100.0
257.08542	5.0
257.11414	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	255.0662
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
54.45639	0.2
67.25764	0.2
69.74253	0.2
74.03970	0.2
79.62228	0.2
82.95943	0.2
87.54262	0.2
89.60118	0.2
90.98969	0.2
117.92335	0.2
125.17668	0.2
150.40593	0.2
161.70851	0.2
183.08131	1.9
185.06062	1.9
187.07648	2.3
199.07629	0.6
209.06113	0.5
210.06815	1.8
211.07628	8.6
212.07896	0.4
213.05554	8.7
214.05849	0.3
227.07097	0.7
254.05840	4.8
255.06607	100.0
255.23253	4.5
256.06931	5.9
256.23639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.48319	0.7
61.98829	100.0
98.20708	1.0
99.60268	0.8
123.35471	0.7
161.02521	0.9
193.05074	6.5
194.05495	0.8
215.74278	0.8
255.02968	1.5
255.23270	2.5
256.03427	5.5
256.23624	10.9
257.04593	1.7
257.11810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66240	0.5
59.01376	3.3
60.01692	0.9
61.98829	100.0
63.80719	0.4
69.68114	1.9
75.00873	0.5
120.99673	0.8
136.91116	0.5
139.54158	0.4
142.99837	0.6
191.05653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.9
59.68523	0.2
60.01715	0.5
61.98829	100.0
70.78505	0.7
75.00880	0.3
75.41151	0.3
77.64833	0.3
78.95933	0.4
142.99886	0.7
173.00926	0.4
203.57025	0.3
226.93465	0.3
255.23347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01367	3.8
61.68868	0.9
65.04378	0.8
67.95653	0.9
83.04998	0.8
98.19894	2.5
117.03460	1.9
133.03001	1.5
161.02415	1.7
162.01871	1.3
204.04312	2.5
205.15910	1.9
205.19510	1.0
210.30424	1.0
219.06572	1.6
236.93028	0.9
237.93370	0.9
248.97293	1.5
249.00249	1.7
249.15021	3.5
249.18571	100.0
250.14508	19.9
250.18800	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23034	1.1
54.06770	1.1
58.02977	25.0
59.01374	1.6
66.17304	1.0
69.81225	5.8
70.02975	9.0
72.00901	7.5
85.72009	1.1
90.93077	1.2
91.05532	9.0
97.64526	1.1
103.05547	1.9
119.04967	1.0
145.04834	1.9
147.04507	37.0
148.04892	2.0
162.09299	2.4
164.07156	100.0
206.08208	82.0
207.08347	2.9
244.26682	1.3
250.14507	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
59.01369	2.6
61.98827	2.8
69.03458	1.2
71.01345	1.1
71.05669	1.5
81.07060	1.2
85.02943	3.6
87.51249	0.7
89.87340	0.8
97.02930	9.9
97.06570	1.3
105.25571	0.8
108.55740	0.8
113.02445	2.3
115.03999	3.3
116.56802	0.7
117.03466	0.9
121.02979	1.6
154.06873	0.9
155.67422	0.8
161.02423	1.8
184.69211	0.9
187.14885	2.5
204.04263	6.9
219.06593	2.4
219.13899	2.1
221.15446	1.3
231.13876	6.9
248.97218	1.2
249.04039	1.4
249.14928	100.0
250.14943	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
59.01368	2.4
60.99311	0.6
61.98833	3.4
65.29869	0.5
67.05541	1.2
67.75940	0.5
71.06493	1.2
74.88329	0.5
82.73378	0.6
83.05024	1.4
91.05577	0.6
95.81523	0.6
97.02953	1.2
117.03453	1.5
132.78345	0.6
133.02994	0.7
144.04552	0.8
159.04529	0.6
161.02434	1.9
177.01926	0.8
177.96683	0.6
187.14862	1.0
203.14357	3.3
204.04248	4.4
205.01454	0.8
205.15964	1.0
219.06563	3.0
219.13899	5.8
221.11864	0.8
231.13873	11.5
232.14174	0.8
248.97279	1.8
249.07721	2.7
249.14954	100.0
250.15089	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
50.03707	1.1
58.99137	1.5
59.01382	7.0
61.25453	1.0
61.98830	5.3
68.99566	4.5
69.03454	12.8
71.51803	1.3
76.31199	1.0
96.96007	12.1
98.10997	1.1
112.98572	9.3
113.02423	1.4
114.25666	1.0
116.99311	1.1
117.03455	1.5
119.08648	1.3
126.19888	1.0
129.92259	1.1
154.97391	7.3
161.02411	2.1
163.34116	1.0
187.14915	2.2
189.93053	1.4
190.04916	1.1
193.12341	2.7
203.14369	1.9
204.04280	7.2
205.12321	3.9
205.15979	4.1
219.06609	3.2
219.13959	3.8
221.15456	5.1
231.13902	17.2
248.97272	7.0
248.99985	1.0
249.04013	1.3
249.07681	3.4
249.11671	8.8
249.14940	100.0
250.14951	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	249.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05523	0.6
55.25522	0.6
58.02971	5.0
58.90608	0.5
71.43235	1.1
73.81902	0.5
89.29756	0.6
92.05053	4.1
116.05035	2.7
118.06620	14.3
128.05066	19.5
131.03764	12.5
132.04178	0.7
134.06215	0.6
144.04544	100.0
145.04895	2.3
146.06110	44.2
147.06458	1.4
172.04050	8.7
182.79051	0.5
190.05083	80.0
191.05406	1.9
218.78770	0.6
249.08939	3.4
267.22409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
61.98820	2.9
69.03423	2.0
70.10700	6.7
73.02969	1.5
85.02944	2.3
93.03456	1.6
112.98565	3.3
117.03493	1.6
121.02945	2.4
123.04477	1.7
127.07652	5.5
141.20883	1.8
144.04529	1.7
144.14291	1.8
149.05898	1.7
177.01929	1.8
181.12343	22.5
199.07404	2.1
201.08926	3.3
203.10536	8.2
204.04289	11.5
205.01410	1.9
205.08641	2.2
205.12108	4.3
207.10017	2.1
217.08517	3.5
219.06581	6.4
219.10028	8.3
221.11702	3.9
223.13148	65.5
223.82298	1.5
224.13512	1.9
233.07916	9.0
235.09532	20.6
237.11078	40.5
248.97427	2.9
249.11076	100.0
249.14877	9.0
250.11748	3.5
250.14490	10.8
265.10495	9.7
267.12134	77.9
268.12482	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	249.08
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50262	0.5
52.55130	0.4
54.78830	0.5
58.02961	1.5
58.99598	3.1
59.01373	5.0
69.27958	4.4
78.95901	1.1
86.84801	0.5
87.00875	3.4
88.04037	5.8
92.05048	1.0
100.27097	0.5
106.35824	0.5
114.01949	0.6
115.00342	1.0
117.03802	2.2
118.06620	3.7
119.05357	100.0
120.05691	1.2
128.03548	3.1
128.05038	4.7
131.03778	4.0
132.03026	6.4
135.04532	0.6
144.04543	21.2
145.04881	0.6
146.06117	9.5
161.45738	0.5
171.07761	1.6
172.03981	2.6
189.05878	6.6
190.05074	18.5
191.05536	0.7
204.04320	1.1
207.06953	19.0
219.06732	0.6
249.07936	4.2
250.07228	1.3
250.14369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00901	0.6
54.27457	0.6
58.02961	0.9
58.99596	2.9
59.01372	6.2
60.14948	0.6
61.82829	0.6
69.31392	3.7
69.31802	1.5
73.01170	0.9
83.01387	2.2
83.27460	0.6
87.00871	9.0
93.03438	0.6
98.19926	1.2
117.03816	0.9
118.06633	1.6
119.05360	100.0
120.05720	1.3
128.03539	2.7
128.05061	2.3
129.03679	0.8
131.03778	2.5
137.02277	0.8
144.04541	14.3
146.06116	5.8
149.02405	0.7
161.02393	0.9
165.01930	3.0
171.07626	0.9
172.04050	2.0
189.05870	10.2
190.05093	10.7
193.01418	1.6
204.04218	2.6
207.06934	13.2
219.06615	1.5
221.00883	3.4
249.00424	2.9
249.03995	3.9
249.07953	3.6
249.14890	1.4
250.07236	0.7
250.14346	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	248.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	83.4
58.99601	5.1
59.01367	7.0
59.03319	0.9
68.94901	0.7
71.01381	2.0
71.51016	0.7
74.99110	0.8
82.06622	1.0
86.02515	1.3
87.00861	2.9
88.04034	5.5
94.02960	0.7
98.09674	0.8
102.03844	2.5
102.98598	2.4
115.00362	2.3
118.03325	100.0
119.03628	1.0
119.05364	4.4
120.99586	0.8
128.01772	1.8
128.03526	6.2
132.03018	22.2
140.07188	1.5
146.02679	0.7
152.07167	0.9
160.04379	1.2
170.89075	0.6
188.03876	4.6
204.04327	0.9
206.04906	28.8
207.05086	1.0
230.04973	1.7
248.05913	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	247.1338
Annotation	Mitchellene C
Peak:m/z	Relative Intensity
54.56444	1.7
57.03440	5.7
59.01378	12.3
61.98822	4.8
69.03452	6.9
69.55937	11.0
71.01379	57.5
76.05299	1.9
85.02946	55.7
85.06580	2.4
89.02453	2.5
90.97133	3.4
103.04005	25.5
111.08158	2.0
117.07064	2.9
121.02930	1.9
129.01941	5.5
132.98166	4.9
139.07652	1.8
150.13144	1.7
157.05049	6.8
159.08220	2.5
159.94078	1.9
161.09734	16.2
174.99271	6.8
175.04010	2.4
185.13338	4.0
186.95602	18.7
203.14384	5.4
229.12341	13.4
246.98454	2.2
247.13387	100.0
247.17159	4.2
248.13683	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	247.1338
Annotation	Periplanone B
Peak:m/z	Relative Intensity
57.03436	2.0
59.01385	5.4
61.98814	2.3
69.03456	5.7
69.82249	1.3
70.59753	1.0
70.98828	2.0
71.01380	35.5
74.10854	0.9
85.02959	1.5
93.03471	1.4
93.44250	1.0
103.04012	16.2
104.35073	1.1
107.84979	1.1
117.07095	3.0
119.48380	1.1
121.02970	2.9
122.94295	1.0
129.01941	1.9
132.98209	2.3
133.02928	4.6
134.03743	9.2
135.04521	1.8
137.02463	8.8
139.03986	3.8
155.04259	1.0
157.05038	4.3
165.01958	1.9
174.99200	4.0
178.02689	5.9
179.03456	4.1
185.13322	2.1
186.95670	10.5
190.72726	1.2
201.12877	1.5
203.03493	1.0
203.14455	1.7
217.12296	8.6
229.12291	12.7
247.02477	1.4
247.09790	17.5
247.13383	100.0
248.07985	1.6
248.13716	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.47876	0.1
57.03423	0.2
59.01366	0.4
61.98814	0.2
64.38370	0.1
67.13113	0.1
69.13639	0.1
69.13944	1.5
71.01379	2.2
73.21879	0.1
101.89452	0.1
103.03989	1.0
118.37515	0.1
134.76123	0.2
157.05003	0.3
179.07133	0.2
184.00108	0.8
186.95604	0.3
205.15938	0.3
220.17039	0.3
231.13931	0.4
247.17007	100.0
248.08086	0.9
248.17348	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	245.1181
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
59.01373	2.8
61.98813	4.0
86.68403	0.8
87.00896	1.2
98.19761	1.5
99.92577	5.2
100.92579	4.6
104.60986	1.0
106.73391	0.9
110.98622	1.0
116.92861	1.0
117.03454	22.8
119.05022	100.0
120.05370	1.5
121.02921	4.1
123.04469	1.9
133.02942	2.0
145.02948	43.8
146.03285	1.0
159.04485	1.5
162.03265	1.7
163.04002	42.8
164.04318	1.7
191.14467	1.0
215.03473	13.6
221.18744	1.0
230.05818	29.8
230.89514	1.0
231.06181	1.1
245.00851	1.6
245.04597	2.0
245.08130	29.4
245.11781	90.8
245.19049	10.0
245.89389	1.3
246.12144	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	246.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26141	0.9
61.98826	62.8
63.21588	0.7
69.03457	1.1
69.94508	4.1
71.01363	1.7
79.75014	0.9
83.33902	0.8
84.50248	0.9
87.00865	1.6
93.03446	1.0
95.01361	1.0
98.20655	0.9
99.00857	2.4
101.61274	0.8
117.91230	0.9
121.02934	1.5
121.50928	0.8
137.02428	8.4
139.00374	1.6
141.01950	4.3
165.01941	8.5
166.99837	1.2
183.02965	100.0
184.03302	2.7
235.89653	0.7
246.02687	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	246.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36055	0.8
55.31722	0.8
58.70288	0.8
59.01376	4.3
61.98831	5.1
63.97143	0.8
70.06609	2.7
71.01391	6.5
71.05018	5.1
72.04543	25.2
73.02934	1.2
74.34303	0.8
75.00861	1.3
78.90599	0.8
78.95893	2.4
82.02979	38.1
82.06625	0.8
85.02991	1.0
86.06131	1.5
96.96959	1.3
98.02468	26.3
98.06113	1.4
98.74122	0.9
99.00870	3.3
100.04042	44.2
100.07674	2.1
103.03992	2.3
115.00288	0.9
116.07167	1.9
117.01920	3.4
117.03744	0.9
126.05598	18.0
126.09204	1.9
127.04008	1.1
129.01910	1.0
131.09052	1.4
132.98175	1.1
136.29379	0.8
146.08223	100.0
147.08539	2.7
157.05090	1.0
166.08827	0.9
174.99156	1.5
183.02977	7.3
184.08205	1.4
184.09776	19.6
186.95604	2.7
210.07692	5.2
228.08752	40.1
229.09081	1.3
246.04904	1.9
246.10170	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	245.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
66.08794	0.4
69.64329	1.8
71.01373	0.7
72.00894	0.6
73.02890	0.4
74.02473	1.9
77.17979	0.4
77.18444	0.5
78.95899	18.5
82.02956	2.2
84.04547	2.6
85.02958	0.7
86.02487	0.5
89.87750	0.4
90.09706	0.4
90.23914	0.5
96.96947	2.9
98.02482	0.5
112.04027	1.0
114.05655	0.5
114.09202	0.5
115.00382	0.5
116.07170	77.6
117.07469	1.0
125.02447	0.6
127.05137	0.8
127.08744	1.7
128.03534	100.0
128.12717	0.4
129.03870	1.5
131.32036	0.4
133.01408	0.8
136.98531	0.5
137.39197	0.4
139.08788	1.4
146.04573	0.5
147.04884	0.8
147.06638	0.7
152.99580	13.7
154.99593	0.6
157.13412	0.4
158.46277	0.5
165.10323	2.1
165.71768	0.4
171.00632	6.3
172.99422	0.6
183.11377	7.3
184.09700	0.7
201.12456	0.5
209.09280	9.6
227.10338	10.4
245.04318	15.7
245.11388	16.3
246.11792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
50.72529	0.3
59.69518	0.3
74.55517	0.4
81.36786	0.3
91.02150	0.3
104.09338	0.3
131.05031	0.5
146.37566	0.4
159.04491	4.4
187.03987	2.5
188.04663	0.5
202.06277	3.1
215.03487	47.5
216.03828	2.2
230.05814	98.5
231.06163	4.6
245.08159	100.0
246.08519	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	245.0927
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02975	24.9
59.01374	1.1
69.30661	2.1
69.31067	5.8
70.02977	18.4
72.00901	5.0
72.04536	4.2
74.02471	99.4
94.70989	0.8
98.02477	22.9
98.19825	1.6
109.02945	3.1
116.03542	28.9
116.05054	30.0
120.82706	0.9
130.06584	5.0
141.52032	1.0
142.06601	7.9
159.09279	5.6
166.20717	1.0
175.03993	1.9
176.37434	0.9
183.09230	2.7
186.05560	1.9
201.10265	8.9
203.08247	87.6
204.08620	3.7
245.04570	20.6
245.09283	100.0
246.09657	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	245.0815
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03445	1.6
59.01377	0.4
59.74429	0.1
60.01712	0.1
61.76511	0.1
61.98829	0.7
65.00331	0.2
65.03980	0.1
67.01890	0.2
68.99858	0.1
71.52426	0.2
71.52808	0.1
78.95902	2.3
79.05524	0.1
80.02695	0.4
81.03458	4.5
83.01369	0.2
83.05012	0.2
93.03453	1.0
95.01407	0.2
95.05028	3.6
96.96963	2.5
96.97594	0.2
97.02948	2.0
107.01336	0.1
108.02188	0.6
109.02950	6.9
110.03282	0.1
111.04575	0.2
115.05569	0.3
117.03453	0.2
117.07086	0.1
119.05031	0.5
121.02959	2.9
122.03767	0.8
123.04522	5.3
124.01580	0.2
129.03484	0.2
131.05003	0.9
133.02957	0.4
133.06589	0.4
135.04535	0.9
137.02440	0.2
139.03993	1.5
142.06628	0.5
143.05025	0.9
144.05814	0.2
145.02928	1.1
145.06645	0.1
146.03734	2.7
147.04529	2.0
147.08156	0.3
149.02454	1.5
150.03214	0.5
151.04033	0.1
152.99619	0.2
154.02759	0.1
156.05836	0.1
157.02997	0.2
157.06613	1.4
158.03731	0.9
159.04504	9.0
159.08183	0.3
160.05304	3.3
161.02432	1.3
161.06075	10.3
162.03209	2.4
162.06425	0.3
163.03960	0.3
171.04510	0.2
171.08174	0.1
172.05278	0.3
173.02472	0.8
173.06062	2.9
174.03215	2.4
174.06818	0.8
175.04004	6.8
175.07625	6.5
176.04398	0.3
176.07953	0.3
181.06551	0.3
183.02953	0.4
183.04539	0.5
183.08105	0.2
184.05275	0.8
185.06055	2.2
186.03192	0.2
186.06798	0.4
187.04001	13.6
188.04773	12.5
189.05260	0.7
197.06023	0.1
199.07634	2.8
201.01898	0.3
201.05585	2.1
201.09183	0.3
202.03194	0.1
202.06354	5.1
203.03452	0.8
203.07127	31.3
204.07430	1.1
209.06021	0.2
211.03951	0.5
212.04778	2.8
213.05241	0.1
215.07158	0.3
217.05203	0.9
217.08662	1.6
225.05452	0.1
227.07127	6.2
228.07448	0.2
229.05087	0.2
230.05824	2.0
238.79849	0.1
244.07353	0.2
245.08163	100.0
246.01767	0.2
246.04503	0.3
246.08505	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	245.0809
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
50.29640	0.3
59.01382	1.7
61.98831	0.9
70.03564	0.3
71.52633	0.5
75.00864	0.4
78.95905	0.6
79.62938	0.3
83.01422	0.3
99.92594	0.9
100.92601	0.5
114.28936	0.4
125.02480	0.3
131.04944	0.5
152.99611	0.4
159.04527	4.2
161.02470	0.3
165.90141	0.3
169.12123	0.3
187.04007	2.1
188.04756	0.4
199.13367	0.5
201.05455	0.5
202.06367	3.5
203.12856	0.7
215.03491	43.2
216.03822	1.6
227.12946	0.3
230.05821	96.1
231.06163	4.2
245.08163	100.0
246.08553	4.3
263.64496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.86929	0.3
59.01377	1.0
61.98829	6.2
63.09111	0.3
67.01880	1.4
83.01385	0.6
89.02405	0.3
90.35773	0.3
99.92586	9.7
111.00870	1.2
115.92074	0.5
125.09703	1.1
139.69478	0.3
154.99867	0.7
173.92575	1.1
197.90576	1.0
207.10342	0.4
211.13383	5.6
225.11363	0.4
225.14941	0.6
227.02220	2.7
243.15991	100.0
243.89885	1.2
244.16333	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98834	2.7
62.01545	0.5
69.03436	0.4
82.27065	0.4
83.05025	0.5
98.73417	0.4
99.92586	4.8
111.00919	0.4
115.92054	0.8
151.72461	0.4
181.52713	0.4
183.13882	7.9
193.12283	1.6
197.90494	0.6
211.13379	100.0
212.13754	4.8
229.73601	0.5
243.06451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0429
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
57.03442	0.4
59.01367	1.1
69.97363	1.3
69.97771	0.9
71.01380	2.0
72.04527	0.7
72.99302	1.7
73.02957	2.8
78.95898	100.0
79.50014	0.5
82.02972	0.9
85.02947	0.6
85.19019	0.5
87.92535	1.2
88.98825	2.8
96.96965	9.3
98.02489	0.7
98.19953	0.7
99.00856	1.6
100.04033	1.0
101.02440	1.1
103.92029	3.5
104.92821	1.0
111.00880	1.2
112.98820	2.7
115.00372	1.0
116.07159	3.1
117.01935	4.5
119.03520	0.8
125.81616	0.6
128.03534	4.8
128.96515	1.0
129.01927	1.6
129.10349	0.6
130.08719	1.3
133.01431	0.7
136.98587	0.8
144.79529	0.6
146.08215	1.8
150.98003	1.6
152.99580	74.4
153.99930	0.9
154.97519	2.4
154.99596	0.7
156.95929	0.9
158.93936	0.6
160.47113	0.5
171.00641	33.7
172.99374	1.8
173.00897	1.2
184.95813	0.7
201.05565	0.7
209.09395	0.7
229.93092	0.5
245.04297	92.7
246.04637	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18798	0.3
59.01361	1.0
61.98539	0.6
61.98830	8.4
67.01886	1.1
75.01690	0.3
82.03029	0.4
83.05056	0.5
98.19833	0.5
99.92581	5.7
110.02438	0.6
111.00876	0.8
113.80492	0.4
125.09728	1.3
154.99908	0.4
155.10815	0.4
156.26753	0.4
181.12454	0.4
183.13855	0.5
187.51804	0.3
197.90591	0.9
211.13393	7.2
225.11374	0.4
243.15987	100.0
243.89874	1.2
244.16290	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42934	0.8
57.03445	2.4
59.01376	54.3
61.98830	1.4
69.03429	1.2
71.39446	1.7
71.39789	0.9
72.85409	0.8
72.99297	8.5
84.15265	0.9
85.06571	1.3
89.36268	0.8
107.08670	3.3
108.76914	0.9
111.04494	2.8
121.10202	2.0
125.09708	1.9
139.11259	4.4
155.10776	3.7
165.09122	1.0
183.10255	66.1
184.10561	3.1
192.66772	1.0
201.11311	100.0
202.11655	3.6
211.82603	0.9
225.11230	1.2
243.02991	1.4
243.06725	1.8
243.12323	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98826	6.9
63.85253	0.4
66.82249	0.4
67.01877	1.6
69.03456	0.5
69.35029	1.9
69.35452	1.4
83.04984	0.6
99.92580	13.2
111.00862	1.7
115.92057	1.2
116.24305	0.4
167.10791	0.6
167.14366	0.7
173.92627	0.9
181.12251	0.7
183.13867	8.3
184.14157	0.6
193.12317	1.7
197.90578	0.7
211.13379	100.0
212.13672	4.1
225.11182	0.7
243.03011	0.7
243.06471	0.9
243.12308	1.5
243.16006	1.6
243.89838	0.9
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	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01378	14.0
61.61790	0.9
61.98819	1.2
67.01882	0.9
69.03445	1.0
71.05003	3.1
71.52027	1.2
73.02936	2.3
79.95728	1.5
83.05029	1.4
90.83115	0.9
97.02932	4.0
97.06610	1.1
99.00879	18.4
109.02955	0.9
109.06607	1.4
110.03736	1.4
111.00840	1.6
125.09705	7.3
127.07484	0.7
127.11286	1.5
139.11278	3.6
142.02695	2.1
151.30872	0.8
155.10780	8.0
155.14447	2.1
163.11227	8.3
171.10216	1.0
181.12338	20.7
183.10185	4.5
193.40741	0.8
194.95525	0.8
197.11821	0.9
199.13388	18.2
201.11314	31.6
202.11623	1.1
207.10245	41.5
208.10582	1.6
225.11305	80.7
226.11662	3.5
243.02991	2.2
243.06790	2.4
243.12357	100.0
244.12660	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57647	1.0
57.03441	1.5
59.01379	56.4
59.55686	1.1
61.98822	2.1
69.03437	1.0
71.05017	1.2
71.52109	1.6
72.99298	8.0
75.99567	0.9
93.07104	2.8
105.17613	0.9
109.02952	1.1
110.02531	1.5
111.00852	1.2
111.08135	1.7
121.02929	1.1
121.06593	1.3
139.11301	1.1
145.02893	1.2
155.10817	2.8
183.10249	59.4
183.56181	1.0
184.10689	1.6
185.95740	1.0
199.03998	2.4
201.11313	100.0
202.11641	3.9
207.10248	1.3
225.00575	1.3
225.11256	6.3
243.03029	9.2
243.06642	5.7
243.12415	10.0
243.16122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
59.01367	1.8
61.98821	1.9
63.02384	1.1
65.00323	14.1
67.01875	1.0
69.41113	4.7
75.79070	0.6
76.68758	0.6
83.01382	100.0
84.01717	1.6
85.85328	0.7
88.03786	0.7
97.02930	0.8
99.00884	2.6
103.85623	0.6
107.01378	4.9
109.02922	0.9
110.02472	1.0
111.00874	1.1
111.14888	0.6
112.17554	0.7
115.04016	0.9
115.06903	0.7
121.02949	2.4
121.06519	0.8
135.00880	4.5
135.04549	0.8
139.04004	36.5
140.04333	1.0
143.03485	18.0
151.00369	3.1
167.03487	15.5
173.06058	0.7
178.99812	0.8
183.02969	69.4
184.03328	1.4
197.05846	0.9
199.03941	0.7
201.05554	1.8
211.02460	7.9
226.06313	0.8
243.02811	1.0
243.06650	11.2
243.08873	1.6
243.12332	2.0
243.15894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.0
61.61790	0.9
61.98819	1.2
67.01882	0.9
69.03445	1.0
71.05003	3.1
71.52027	1.2
73.02936	2.3
79.95728	1.5
83.05029	1.4
90.83115	0.9
97.02932	4.0
97.06610	1.1
99.00879	18.4
109.02955	0.9
109.06607	1.4
110.03736	1.4
111.00840	1.6
125.09705	7.3
127.07484	0.7
127.11286	1.5
139.11278	3.6
142.02695	2.1
151.30872	0.8
155.10780	8.0
155.14447	2.1
163.11227	8.3
171.10216	1.0
181.12338	20.7
183.10185	4.5
193.40741	0.8
194.95525	0.8
197.11821	0.9
199.13388	18.2
201.11314	31.6
202.11623	1.1
207.10245	41.5
208.10582	1.6
225.11305	80.7
226.11662	3.5
243.02991	2.2
243.06790	2.4
243.12357	100.0
244.12660	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	242.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31412	1.1
53.99249	1.0
54.25150	1.0
55.66835	1.3
57.28643	1.1
61.98828	100.0
62.23262	1.0
66.09200	1.0
69.25534	7.6
78.95923	4.0
84.37522	1.3
88.98831	2.7
212.45923	1.1
232.60608	1.0
242.08064	1.3
253.09712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55535	0.4
59.01375	1.4
61.98837	0.8
63.23612	0.5
67.01885	0.7
68.92577	0.4
69.57444	0.5
70.64838	0.9
70.65193	0.7
71.01369	1.3
75.99751	0.5
78.95898	2.2
81.03456	0.7
82.02982	0.7
82.06129	0.4
82.06742	0.5
83.01394	1.1
83.05034	1.6
86.02435	0.6
87.00872	100.0
88.01230	0.9
90.26257	0.4
93.03456	6.8
94.50525	0.4
96.96928	2.4
109.02950	1.6
110.02496	2.9
111.00877	1.2
111.04520	7.7
112.98804	0.7
122.32091	0.4
128.03519	0.9
131.17046	0.4
137.02432	2.1
142.99887	0.9
145.01404	0.6
145.06172	1.3
146.04584	0.8
155.03481	0.7
173.00896	1.2
182.97804	0.4
183.02946	0.6
192.68979	0.4
195.06667	0.5
200.05597	0.6
212.52940	0.4
243.06502	1.1
243.10085	0.6
243.12361	0.7
243.15865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.81602	0.5
54.24462	0.5
55.01876	0.8
55.96078	0.5
57.03444	1.6
59.01375	1.9
61.98823	5.1
69.03448	4.2
71.05022	5.3
71.52618	0.8
81.03458	1.6
83.01398	1.2
83.05025	5.7
97.02947	0.6
97.06576	0.6
99.06435	0.7
103.92010	0.8
109.02942	1.4
111.07351	0.5
123.08151	1.1
125.09718	1.7
151.11284	1.1
153.01920	0.8
153.12875	2.7
161.09689	1.6
169.01392	1.3
178.99785	0.7
179.10748	6.5
195.15082	0.9
197.11816	100.0
198.12155	3.9
213.16087	1.5
221.98483	0.6
223.09781	2.8
241.05328	2.1
241.10796	96.2
241.21768	1.9
242.11092	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	242.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12613	1.0
59.87723	0.9
61.98827	100.0
62.56779	0.9
65.85812	0.8
69.52651	6.6
70.02997	1.0
74.02464	2.6
87.05655	1.2
111.05611	1.2
121.71496	1.0
121.72514	1.0
135.04526	12.9
141.06679	1.4
149.58160	0.9
156.58261	0.9
167.04642	4.2
179.03481	15.5
198.08775	2.2
242.07829	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	241.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
59.01361	1.8
61.98817	1.5
67.01884	1.9
69.03455	0.5
69.38977	3.2
71.01965	0.4
81.03439	1.0
83.01385	1.4
85.02942	1.5
85.90277	0.4
87.00907	1.0
95.01386	16.1
97.02951	1.6
99.00880	3.4
109.02939	1.8
111.00870	4.8
113.02457	3.1
123.00845	2.8
124.01697	0.5
125.02441	3.4
127.00377	10.6
137.02501	0.4
138.03235	6.3
139.00365	10.0
153.01944	16.6
154.02710	16.6
154.99864	0.9
155.03081	0.5
166.99863	3.9
169.01395	2.2
170.02188	1.8
181.01443	3.3
182.02145	3.4
197.00926	1.6
197.11870	0.5
198.01651	1.8
199.09698	1.2
213.04047	4.7
241.03519	100.0
241.21715	1.1
242.03874	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01377	42.7
61.98824	4.2
69.03424	0.9
71.52828	0.9
72.99296	7.8
76.74294	0.7
81.03448	0.8
83.01368	1.1
83.05022	0.8
85.02936	1.3
93.07095	7.8
97.91947	0.7
107.08635	1.1
109.02960	1.2
109.06598	3.5
117.07072	0.8
119.05016	1.0
119.08657	16.6
133.06567	0.9
135.08165	9.5
153.01871	0.9
153.09264	1.0
163.07632	7.0
169.01410	1.3
181.08678	13.8
197.11826	0.8
199.09743	100.0
200.10159	2.5
211.05951	0.7
241.05237	1.3
241.10818	5.2
241.17908	0.8
241.21739	1.9
247.99007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.98719	2.3
71.01374	3.1
73.02941	1.4
74.99380	1.5
75.00871	3.6
78.95932	1.7
85.02946	2.9
85.63898	1.1
87.00870	14.9
88.98809	4.2
97.02954	1.8
99.00877	4.1
101.02413	2.6
105.15182	1.2
117.01909	3.5
125.02438	1.6
128.96805	22.3
129.96852	1.6
140.08063	1.1
141.01978	1.5
159.02928	1.7
161.04541	14.9
165.04037	6.5
179.05602	73.2
180.05968	1.6
238.90857	4.6
239.07661	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	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
58.63030	0.5
59.01374	3.1
59.35817	0.5
70.04935	1.8
72.22245	0.6
95.05019	0.8
98.20695	0.5
101.06075	7.9
101.51470	0.5
105.67806	0.5
109.06598	4.9
111.08148	4.8
113.22675	0.5
121.99306	0.5
123.31421	0.5
125.09707	0.7
135.11763	0.6
136.43840	0.5
138.06853	0.5
139.04005	11.9
140.04309	0.5
151.11235	0.8
154.06348	32.5
155.06700	0.5
167.14398	9.7
179.05603	4.0
179.10754	5.2
180.05716	0.5
182.05804	3.0
195.13889	100.0
196.14290	2.7
229.62991	0.5
239.12846	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	234.1497
Annotation	Huperzine W
Peak:m/z	Relative Intensity
52.12973	0.2
59.01378	1.5
70.54655	0.2
71.52020	0.3
74.90556	0.2
109.49885	0.2
116.50608	0.2
119.01361	0.3
121.70998	0.2
147.04538	0.2
161.87437	0.2
162.01968	0.2
174.04726	0.3
179.07059	0.6
190.99777	0.3
207.13878	0.4
218.11855	1.5
219.12477	0.3
234.14967	100.0
235.15320	4.1
251.11594	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	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65660	0.1
59.01380	0.3
59.92997	0.1
61.98827	1.2
70.74333	0.3
81.81364	0.1
93.37089	0.1
95.68430	0.2
100.88929	0.2
102.27813	0.1
113.44682	0.1
129.02118	0.2
134.03734	0.6
135.04562	0.3
136.05299	0.3
145.06836	0.1
148.05298	6.5
149.05759	0.3
149.09737	0.8
159.08125	0.2
162.06827	0.2
175.07651	0.2
176.08359	0.5
177.09198	34.1
178.09480	1.0
180.07899	0.1
190.09964	1.4
191.10771	0.6
192.11546	26.9
193.11919	1.2
198.10541	0.1
201.09222	0.5
203.07063	0.6
206.09421	0.2
217.08685	2.9
218.09459	7.1
219.09830	0.3
224.10461	0.2
225.77446	0.2
236.10516	100.0
237.10895	4.2
237.14612	0.2
257.45853	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	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73260	0.8
59.01378	100.0
61.52194	0.8
62.60612	0.8
69.54892	5.1
69.55290	1.5
70.68047	0.9
70.95610	0.8
71.01371	3.4
71.11853	0.8
73.02945	1.6
81.09986	0.8
83.01384	1.1
84.24287	0.9
85.02958	2.8
85.38750	0.8
87.00874	17.1
89.02436	2.0
98.63142	0.9
99.00874	4.0
101.02431	1.8
117.01932	3.2
125.02452	1.8
128.96822	1.0
141.01883	3.0
153.00900	0.8
153.20113	0.9
159.03020	1.7
161.04539	17.4
179.05598	87.8
180.05844	1.0
211.02437	1.4
216.43687	0.8
223.95650	0.8
231.21490	0.8
239.07724	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	21.3
59.01378	100.0
59.57135	2.3
67.01903	5.8
68.99838	3.4
69.97601	10.3
71.01379	68.6
72.99302	3.7
73.02956	12.5
80.38239	2.7
83.01395	18.7
85.02945	13.9
87.00900	3.4
87.92528	25.5
88.92593	7.3
88.98811	4.7
96.96014	9.4
96.96942	4.2
99.00872	34.0
101.02433	3.1
103.92039	10.4
105.01910	2.8
111.00878	30.0
115.65674	2.3
116.92899	2.4
129.01942	46.0
133.01379	2.9
160.89294	37.5
160.91826	6.3
161.89409	9.7
173.00896	7.6
232.11159	2.3
233.15483	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	231.8946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06814	0.4
59.01366	1.5
69.77582	0.8
69.77998	0.9
71.01359	0.5
80.17165	0.4
85.02982	0.4
87.92528	100.0
88.92580	0.9
88.98810	0.5
102.92352	0.6
103.92028	21.1
104.92819	1.4
105.93590	11.1
111.00907	0.5
119.91515	1.9
123.93784	0.7
123.94640	7.4
129.01918	0.5
149.92555	0.4
154.47266	0.3
159.89377	1.0
159.92116	1.3
160.91733	0.7
177.92062	0.9
187.90500	4.4
224.13382	0.3
231.89449	0.6
237.14484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73417	0.1
58.75180	0.1
59.01379	8.0
59.96728	0.4
60.97510	0.4
64.07473	0.1
64.90347	0.2
67.01880	0.4
70.69901	0.4
71.01398	0.4
74.99064	7.6
75.00880	0.2
75.96217	0.5
81.45215	0.2
91.02209	0.9
93.00145	1.9
93.03448	1.0
95.46127	0.2
115.92043	0.2
118.96232	1.1
126.29904	0.2
134.99399	6.9
135.99452	0.2
136.97319	1.6
141.07471	0.4
143.05350	0.8
149.00951	68.1
150.00896	2.1
150.98856	0.7
159.08450	1.9
159.73982	0.1
161.02394	0.2
161.06380	3.3
167.02007	0.3
173.04532	1.5
188.98553	0.3
190.98726	0.2
201.04147	0.5
215.05667	1.1
215.09216	0.3
217.07198	93.0
218.07332	5.3
233.10326	100.0
234.10471	5.7
235.08180	0.3
248.71667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64640	1.3
59.01381	9.3
60.99305	12.2
71.01372	1.5
71.50236	1.1
71.50615	1.5
72.99294	4.6
75.00864	3.6
78.27888	1.3
78.95895	11.9
79.02014	1.2
80.77407	1.2
84.24617	1.1
87.11652	1.2
87.92522	4.4
88.92572	2.0
88.98803	100.0
96.96016	6.2
96.96958	19.1
103.92036	2.7
105.01934	83.4
115.00298	1.7
132.03014	4.4
133.01418	3.3
135.02948	2.5
142.97504	4.4
160.98576	21.9
175.94496	1.3
180.59218	1.3
204.97620	7.7
233.15323	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	230.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	13.6
59.01378	33.0
67.98846	0.6
70.78319	0.7
70.78660	1.2
71.01393	1.0
72.04545	1.4
82.02998	0.9
85.02914	0.7
85.92997	3.2
88.04029	4.1
96.96922	0.6
100.07683	3.3
101.65302	0.7
114.05591	1.3
114.08440	0.8
114.09247	11.2
115.00367	1.6
124.22623	0.6
126.09249	30.2
127.09562	0.8
128.07169	1.6
132.03027	10.3
142.08728	23.0
146.08197	3.8
155.04994	0.5
169.01418	1.3
170.08221	12.6
188.09276	100.0
189.09592	2.6
212.09250	0.6
230.10324	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	231.8947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99857	0.4
59.01379	6.8
70.63232	1.0
80.76073	0.4
87.92528	100.0
88.92564	0.7
88.98796	1.4
89.72845	0.4
96.96007	8.3
96.96923	0.6
103.92023	21.0
104.92829	1.3
105.93584	10.6
119.91502	1.9
120.45138	0.4
123.94638	7.0
131.91536	0.4
177.92027	1.2
187.90463	4.3
200.88628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03451	1.3
59.01377	2.8
69.28156	2.5
71.01382	0.3
71.05014	0.8
76.05161	0.3
83.05002	0.3
84.02155	0.6
85.02944	0.9
89.88725	0.2
91.30997	0.2
97.06561	0.4
111.00873	0.5
123.08163	0.4
125.09730	4.7
127.11286	4.0
127.58054	0.3
155.14404	2.1
165.12836	0.7
167.14380	1.7
171.10254	0.3
183.13802	0.5
183.42276	0.3
185.11792	0.4
185.15524	0.3
209.11780	2.0
211.13400	4.0
220.74876	0.2
229.14426	100.0
230.14749	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03433	1.2
60.19832	0.3
60.32618	0.3
70.27251	1.1
71.05018	0.3
84.02125	0.4
85.02982	0.4
125.09729	1.9
127.11288	4.0
155.14418	2.2
165.12822	0.7
167.14412	1.3
171.10257	3.5
183.13864	1.3
185.11792	1.8
201.14891	0.4
209.11783	2.3
211.13367	10.4
212.78658	0.4
229.05092	0.8
229.14418	100.0
230.14783	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	229.108
Annotation	Piscrocin E
Peak:m/z	Relative Intensity
57.03204	1.1
57.03451	17.5
59.01369	2.8
66.11036	0.8
69.03450	0.9
70.70993	1.5
71.01372	2.5
71.05019	2.3
72.99294	1.0
75.00850	1.2
78.95886	3.1
79.05527	1.4
81.03452	1.5
83.01392	1.0
83.05012	3.7
85.02940	2.7
85.92982	1.9
88.04044	5.2
95.05029	1.9
96.96944	3.2
97.02961	1.1
97.06575	2.2
99.00849	2.4
99.04519	2.1
99.92522	0.8
109.06580	8.0
111.00883	1.4
111.04502	1.1
111.08130	2.0
112.98804	2.5
114.05609	2.0
116.07169	2.2
119.08664	38.4
120.09002	1.9
121.06577	6.3
125.02396	1.1
125.06086	1.0
127.07665	7.6
129.01944	0.9
130.08691	1.1
131.08659	4.9
137.09712	9.0
139.03986	0.8
139.07651	7.2
140.04489	0.8
143.11934	2.4
149.09695	4.5
151.07622	1.0
153.05530	0.8
153.09166	1.5
155.10767	1.7
156.89481	1.5
167.10748	2.5
185.16542	1.7
197.13461	0.9
201.02037	1.0
229.10780	100.0
229.15501	5.0
230.11089	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	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.17251	0.9
56.61589	0.8
57.03443	1.9
57.76667	0.8
59.01367	2.2
61.98816	1.4
65.46920	0.7
67.01868	1.6
71.01353	1.9
71.05028	1.0
71.52405	0.9
72.99268	1.1
83.01389	2.8
83.05004	2.2
84.02170	1.8
93.03519	1.1
95.01367	1.4
97.06602	2.0
99.00882	1.4
99.92609	1.5
111.00878	5.1
111.08111	2.9
112.98802	5.7
129.01949	1.6
139.00362	1.4
139.11263	1.3
154.99872	2.6
163.11272	1.7
165.12837	27.7
169.12312	0.9
173.00894	1.0
181.12305	1.4
183.13885	42.9
184.14169	2.0
188.01227	1.1
199.13393	2.8
208.93359	1.0
209.11812	38.3
209.13821	1.9
210.12196	1.4
227.12863	100.0
227.16515	2.5
227.20068	7.2
228.13176	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	227.165
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03434	1.2
59.01379	2.0
61.98825	3.2
63.11816	0.8
67.01900	1.9
68.99800	1.3
71.01379	2.4
81.07079	4.1
83.01369	1.6
95.01397	2.2
99.00883	1.7
99.32011	0.9
99.92584	3.0
100.43188	1.0
111.00877	4.1
112.98816	4.5
121.02949	1.1
129.01936	1.0
135.74452	0.9
139.00429	1.8
139.11301	1.8
153.05585	3.4
154.99838	1.8
165.12796	6.5
173.00873	1.7
183.13889	34.1
197.04497	1.0
197.15446	2.4
199.13344	5.3
208.93506	1.0
209.11795	12.8
209.15503	2.9
225.14980	1.0
227.07225	1.3
227.13060	22.4
227.16501	100.0
227.19807	7.8
228.13164	1.3
228.16846	4.3
229.13167	1.6
245.50075	1.0
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
59.01363	0.6
60.66974	0.4
63.07033	0.5
66.39260	0.4
80.02695	2.0
81.03447	1.6
83.01357	0.6
83.05028	6.9
84.02169	4.1
87.02496	0.4
95.05013	0.8
97.06642	0.5
125.06110	0.5
125.09684	0.5
135.08148	0.9
154.99858	0.5
163.11261	5.6
165.12852	4.1
181.12340	1.0
183.00458	0.9
183.13972	2.4
191.10802	1.5
199.13397	1.2
209.11810	100.0
210.12184	3.1
227.03178	1.4
227.09451	0.5
227.12874	5.8
227.20190	0.9
228.13243	0.5
228.97287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29074	0.3
70.52263	0.9
71.01397	0.4
81.03469	0.3
93.03462	2.2
99.00880	0.5
99.92607	0.4
108.02149	0.4
111.00887	0.8
112.98836	1.7
119.05007	2.3
121.02949	3.3
123.04537	0.6
127.62038	0.3
128.93193	0.2
129.01918	0.3
133.02901	0.4
137.02396	0.4
141.07079	0.3
143.04993	0.5
156.05804	0.4
157.06607	0.6
163.72781	0.3
167.17079	0.3
169.06581	0.5
171.04568	0.3
171.08173	1.3
173.00914	0.7
180.05798	0.9
181.06531	1.1
183.04533	1.3
183.08086	0.6
183.13878	2.3
184.05243	1.0
185.06068	5.1
197.04510	0.3
197.06120	1.2
198.06822	0.6
199.07626	3.8
208.05269	1.4
209.06082	3.1
209.11794	0.7
210.06821	4.8
211.03960	0.9
212.04800	3.1
225.05557	1.8
226.04031	0.5
226.06348	15.4
227.07118	100.0
227.20125	1.4
228.07465	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20438	0.1
69.03448	0.2
70.66091	0.4
70.66409	0.2
97.06592	0.3
107.59425	0.2
111.08193	0.9
118.51580	0.2
165.12836	18.8
166.13194	0.7
181.12378	0.3
183.13890	100.0
184.14229	3.2
194.24425	0.2
205.76495	0.2
209.11821	1.5
227.12872	23.0
228.13229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03441	0.8
59.01377	70.2
60.27187	0.8
61.79716	0.9
61.98826	7.6
65.00320	1.2
66.79456	0.7
69.03456	1.9
71.06988	1.5
72.99300	4.8
76.25252	0.8
85.10179	0.8
93.03474	5.4
109.02938	0.9
119.08637	2.1
119.62979	0.8
121.09373	1.4
121.10224	26.8
122.10530	0.9
126.90533	1.5
127.54247	0.9
137.02460	2.3
137.09715	17.6
165.07790	1.5
165.09192	26.2
166.09619	0.9
178.83408	1.0
181.01445	1.5
181.06532	1.1
183.10246	100.0
184.10545	3.1
193.24663	0.8
207.10262	1.9
210.05235	1.2
216.97615	0.8
224.90558	1.7
225.00366	3.1
225.07597	1.1
225.11275	4.5
225.14868	1.4
225.92609	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	225.1131
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.95852	0.5
54.60176	0.4
55.13750	0.4
59.01373	4.1
60.70444	0.5
61.98830	6.6
64.77895	0.4
65.00303	0.9
70.66521	1.4
81.03465	0.8
83.01418	0.5
83.05037	0.6
93.03467	5.1
96.56218	0.5
97.02946	10.3
99.00870	3.3
101.91151	0.5
108.02123	0.6
109.02932	1.0
109.06587	2.3
110.03714	3.6
121.06580	0.7
123.04502	0.6
125.09701	1.5
126.90503	1.0
135.08122	1.6
136.05267	1.7
137.02426	1.4
138.01930	0.6
142.02736	3.9
151.07744	0.6
153.01898	0.5
153.12901	0.5
157.29376	0.5
161.09680	0.9
163.11282	11.4
165.07652	0.7
176.57867	0.5
178.99849	0.6
181.01389	1.0
181.12331	31.4
182.12729	0.9
197.11812	1.2
206.99190	0.8
207.10242	65.4
208.10573	2.2
224.90579	1.1
225.00328	2.5
225.11308	100.0
225.92641	1.8
226.11665	4.1
228.92450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.09736	1.7
60.57718	1.7
61.98825	4.0
66.68655	1.8
67.02181	1.5
67.03165	1.5
68.44591	1.6
71.01326	1.8
71.53146	2.2
87.20138	1.6
89.75242	2.1
101.40476	1.9
102.48354	1.6
111.41182	1.5
144.22154	1.9
177.01927	4.5
192.53598	1.8
201.01822	2.4
202.99818	2.2
204.04347	2.4
219.02963	18.2
219.17537	20.0
225.62112	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	223.0282
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.77153	0.1
58.67966	0.1
59.01374	1.5
59.96732	0.9
61.98834	1.3
71.06554	0.2
71.06884	0.3
74.99068	16.1
75.96213	0.7
80.94325	0.1
93.00136	4.2
93.00709	0.3
96.96018	1.5
101.76625	0.1
107.01408	1.2
130.87361	0.2
149.00949	11.0
150.01004	0.1
150.94791	0.2
150.98883	0.7
151.00294	0.3
151.03937	0.1
165.02007	0.2
166.06366	0.3
170.49268	0.1
176.34772	0.1
176.98279	0.5
178.99878	0.2
186.73695	0.1
193.01379	0.5
194.99341	0.4
206.99677	5.2
207.99921	0.2
208.03737	0.5
216.14995	0.2
223.02815	100.0
224.02867	5.1
225.00981	0.2
241.03873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.17965	0.5
57.03443	1.3
59.01378	9.0
61.98827	8.8
65.00317	0.6
69.03465	5.4
70.69854	0.7
70.70184	1.1
71.05009	1.6
73.03552	0.5
76.16293	0.5
83.01385	0.8
85.06577	1.4
89.00348	0.6
89.02390	0.6
95.04995	0.7
96.96021	1.2
97.06603	0.7
102.51779	0.6
107.01392	5.6
109.06588	1.3
123.08186	0.9
125.09682	0.7
135.11771	1.0
149.01004	0.7
149.09688	1.3
151.00302	1.1
151.04021	0.9
153.09143	0.7
161.09706	0.7
161.13327	0.8
166.06378	4.4
167.10762	8.7
176.83641	1.0
176.98270	1.1
177.12839	1.1
179.10785	2.6
179.14406	9.0
180.94150	1.0
186.39578	0.5
193.01347	0.9
194.99327	2.4
195.13895	26.3
196.14273	1.2
197.52945	0.7
205.12328	18.7
208.03807	1.6
222.95233	1.0
222.99034	0.7
223.02734	7.0
223.13383	100.0
224.03017	0.8
224.13704	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	224.0562
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
52.10290	0.3
58.02970	1.9
59.01364	0.7
61.98832	0.9
62.15179	0.3
70.02979	0.4
71.51691	0.5
81.03448	2.8
83.01389	2.6
83.05025	0.6
93.03464	1.3
94.02993	0.9
96.04559	6.0
96.96018	1.3
97.02946	0.5
98.02474	8.2
98.03062	0.6
99.04519	0.4
108.04524	0.8
110.06129	1.6
111.04520	0.5
113.54766	0.4
114.05620	0.9
118.06644	1.1
121.02927	0.6
122.02458	0.5
122.20579	0.4
125.02442	1.0
136.04044	1.3
136.07683	0.5
137.02438	0.9
138.01982	0.7
138.05608	19.2
140.03534	16.1
152.03494	0.7
152.07086	0.5
164.03519	1.7
165.01900	0.5
166.01398	1.9
180.02946	1.1
180.06650	2.4
181.03795	1.0
182.04570	100.0
183.04947	2.5
206.04610	0.6
224.05629	49.2
225.00479	0.7
225.05928	2.0
225.07962	1.0
225.18739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82705	0.7
60.88950	0.6
60.99305	15.9
65.08007	0.8
70.66553	2.0
75.15343	0.8
88.98804	100.0
94.19824	0.7
110.12730	0.8
126.94400	60.0
132.24850	0.7
154.87074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91308	0.5
54.60867	0.3
56.46072	0.3
57.03444	0.8
59.01376	48.0
63.06987	0.4
67.66864	0.4
71.10067	0.9
83.01397	0.4
89.29674	0.4
95.89090	0.5
99.08160	4.8
109.06560	0.8
111.08143	1.3
127.07666	0.9
129.09216	18.7
135.04546	0.9
144.04462	0.5
145.02896	0.6
145.06656	0.4
150.37961	0.4
157.08698	13.7
174.03229	3.4
175.09750	100.0
176.10057	3.8
189.05545	1.1
202.02692	5.4
217.05058	3.4
217.08801	0.8
217.10774	4.7
218.04709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1244
Annotation	Dethiobiotin
Peak:m/z	Relative Intensity
51.60157	0.5
53.90805	0.5
55.20472	0.5
57.09671	0.5
58.02973	2.5
60.64491	0.5
68.45881	0.6
71.49749	0.9
72.00909	4.5
72.59029	0.6
74.02474	11.1
82.02985	8.9
84.04540	12.0
85.02940	0.6
86.02486	5.2
98.02464	0.8
101.07207	6.4
111.03271	1.4
117.27629	0.5
126.09262	2.4
127.05121	8.9
128.03535	82.6
129.03888	1.6
137.09303	0.6
138.09236	2.2
139.08777	0.6
167.11937	1.7
169.13460	13.2
195.11368	19.6
213.12437	100.0
214.12712	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	213.1495
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.92250	0.2
59.01374	0.4
59.85376	0.1
61.82783	0.1
69.21692	0.1
70.37350	0.2
70.37701	0.6
78.53922	0.2
82.90060	0.2
84.21993	0.2
98.19938	0.2
111.08163	0.2
165.12834	0.2
167.14442	0.3
177.12822	0.5
183.13892	25.9
184.14233	0.8
195.13892	21.8
196.14246	0.8
211.13361	0.6
213.14948	100.0
214.15298	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
51.62560	0.3
59.01365	1.1
69.67249	1.3
78.58025	0.2
78.58499	0.3
81.03472	0.4
83.01372	0.3
93.23887	0.3
97.02998	0.3
107.01382	1.2
125.02412	0.3
134.03561	0.2
140.81125	0.3
154.64830	0.3
156.86755	0.3
165.32732	0.3
167.14359	0.3
169.01355	0.4
183.13889	24.7
184.14241	0.7
194.99393	0.3
195.13885	19.9
196.14220	0.6
211.13382	0.5
213.14944	100.0
214.15298	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	215.1651
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.20366	0.3
51.79508	0.3
56.61230	0.3
58.74695	0.3
59.01374	0.8
61.98813	0.8
62.78090	0.3
70.99256	0.5
70.99590	0.4
71.01401	0.3
78.22801	0.3
89.02423	0.4
99.00850	0.4
108.55538	0.4
117.87590	0.3
122.89422	3.0
125.09736	0.3
135.64368	0.4
144.00938	2.2
169.15968	5.0
171.02077	0.5
172.29565	0.3
186.89751	1.3
197.15482	1.9
213.14928	0.9
215.00975	16.2
215.16508	100.0
216.01320	1.1
216.16827	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	213.1131
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
56.21934	0.5
57.03435	3.0
59.01383	9.6
64.01656	0.6
69.03427	1.7
71.01392	4.8
71.52914	1.0
81.03446	2.3
83.01382	2.2
83.05023	1.1
85.29132	0.6
87.00849	0.7
97.02940	1.4
97.06558	1.0
98.20811	0.7
99.00921	0.8
107.01396	8.1
108.02183	3.2
111.08154	10.7
115.00374	1.9
122.03525	0.7
123.04501	0.8
123.08154	35.5
124.08530	0.7
125.02436	2.5
125.09752	4.9
128.22069	0.7
137.09709	7.5
139.07635	3.4
139.11284	56.7
140.11574	1.5
141.01898	1.2
141.09154	1.1
151.00336	1.6
151.07640	4.3
151.11273	11.1
153.05542	0.8
153.09212	1.2
155.07158	5.4
156.07466	0.6
167.10782	2.3
168.98955	3.0
169.01413	1.6
169.12331	5.7
182.81848	0.6
183.13844	3.7
185.11761	0.9
192.89767	0.6
194.99451	3.0
195.10385	0.7
195.13811	3.2
197.99077	1.1
213.00456	1.2
213.05634	2.0
213.07735	5.8
213.11308	100.0
213.14632	16.3
213.18509	1.8
214.11679	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	213.1244
Annotation	Dethiobiotin
Peak:m/z	Relative Intensity
57.39351	0.5
58.02971	2.3
59.01377	0.7
69.99626	2.4
70.02966	0.9
71.01393	0.7
72.00911	4.3
74.02474	10.2
78.95904	1.5
82.02982	9.4
82.06594	0.6
83.84549	0.6
84.04548	9.3
85.02930	0.9
86.02476	5.8
96.96971	1.7
98.02465	2.0
99.05682	0.5
100.52338	0.6
101.07203	6.6
109.04065	0.7
111.03307	0.8
114.05593	1.7
123.38602	0.5
125.96165	0.5
126.09241	2.4
127.05127	9.2
128.03537	79.7
129.03906	1.1
138.09256	2.9
139.08720	0.8
140.71800	0.5
142.19394	0.5
152.91455	0.6
167.11888	1.8
169.13460	10.9
170.04500	0.6
173.65848	0.5
194.99278	0.9
195.11374	21.5
196.11723	0.8
213.12434	100.0
214.12787	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	211.0975
Annotation	7-Deoxyloganetin
Peak:m/z	Relative Intensity
50.44485	0.9
51.53869	1.0
55.19040	0.8
59.01380	8.5
65.00322	5.0
67.01854	1.3
67.80823	1.0
69.42362	5.9
69.42767	2.1
69.87696	0.9
72.99275	1.2
80.02679	2.3
81.03448	17.0
83.01383	30.0
83.05019	1.3
85.02970	1.0
95.01389	2.0
95.05061	1.6
106.04229	1.5
107.01399	6.3
107.08646	3.5
108.02168	64.1
109.02985	4.7
111.00872	2.6
111.02271	1.0
111.04507	1.1
121.02911	3.5
122.03694	2.9
123.04505	1.2
123.08157	48.9
124.08504	1.5
125.09718	11.0
127.00372	2.6
127.07732	0.9
134.03680	1.1
136.05298	9.8
136.98802	2.5
137.02415	1.6
137.09688	3.0
139.00322	2.0
139.07629	1.5
149.09715	4.5
150.03233	7.6
150.06877	1.0
151.00349	20.4
151.07640	100.0
152.00781	1.0
152.07948	3.0
153.09203	11.9
163.07639	2.8
164.98288	13.2
165.09195	32.7
165.98607	1.0
167.03458	3.4
167.07127	2.1
167.10759	1.1
181.08687	16.0
182.99310	2.6
183.10223	4.5
183.13939	1.3
193.08679	32.1
194.09065	1.3
205.01334	0.9
210.98976	1.0
211.02419	7.3
211.07805	1.8
211.09743	30.3
211.13330	11.3
216.30359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.17133	0.3
51.29042	0.4
51.36032	0.3
69.03446	0.4
70.70140	0.5
70.70473	0.7
75.56213	0.3
76.50632	0.3
83.05020	0.4
155.10732	0.4
165.12903	0.6
167.10782	0.5
167.14442	1.5
183.13881	13.9
183.45821	0.4
193.12299	3.5
211.13374	100.0
212.13756	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24951	0.3
61.98797	0.4
67.13329	0.3
70.34042	0.5
83.01352	0.3
83.05035	0.4
87.36813	0.3
96.11812	0.3
113.86145	0.3
155.10727	0.6
165.12830	0.5
167.10765	0.8
167.14381	1.3
182.35709	0.3
183.13882	12.8
193.12317	3.1
211.13376	100.0
212.13715	3.4
226.13515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0767
Annotation	GEIR-2
Peak:m/z	Relative Intensity
52.00301	1.7
54.07058	1.8
57.03424	2.3
59.01110	2.1
59.01380	29.9
60.29536	1.6
67.01877	7.5
69.03456	28.8
71.01380	100.0
71.05027	1.8
72.99282	2.8
80.02662	2.3
81.03438	11.7
83.01382	26.1
83.05024	2.8
84.02156	4.2
85.02922	4.7
85.06586	6.1
87.00874	18.9
93.03440	2.0
95.05064	2.3
96.99290	4.5
97.02952	16.7
97.06588	14.8
99.00864	6.5
107.01385	25.8
108.02209	10.3
109.06599	2.2
111.08150	45.8
113.06077	6.5
115.00381	23.9
121.06580	6.5
122.03732	3.5
123.00861	5.4
123.04552	3.6
123.08147	8.9
124.01620	4.3
124.98817	5.5
125.02428	12.5
125.06078	18.2
125.09641	2.8
127.00346	2.6
127.07661	3.7
129.05579	4.9
130.08778	9.1
139.00330	3.0
139.07649	60.5
141.01930	22.2
141.09190	18.6
151.00374	5.2
151.07649	26.4
152.01158	3.8
152.98306	7.4
153.05539	3.4
153.98969	1.9
155.05934	3.5
155.07138	67.0
156.20763	1.8
165.05606	1.8
166.99854	2.9
167.07150	15.2
168.98996	3.1
169.01425	38.0
169.08693	5.3
169.12323	2.0
183.06615	3.0
183.13939	13.7
185.08185	2.1
194.99348	8.2
195.06660	2.6
195.13904	9.9
212.98517	2.4
213.00378	6.7
213.05743	5.8
213.07664	93.5
213.11145	5.5
213.14938	58.3
213.18567	5.1
214.08060	1.8
214.10840	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	211.0247
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
52.59035	1.2
63.02395	51.5
64.02734	1.8
65.00320	17.4
67.01893	6.4
69.87115	5.1
77.03970	3.2
81.03452	68.3
83.01385	20.8
89.07993	1.2
91.01897	5.4
93.03484	2.1
95.05018	24.7
96.44140	1.4
97.02943	22.3
99.04490	3.2
105.03452	25.5
107.01392	8.2
108.02171	1.6
111.00897	2.0
123.04523	32.3
124.01657	81.8
125.02422	1.4
134.05240	1.3
135.00879	42.7
136.01234	2.2
137.02422	11.7
139.04007	47.3
151.00359	22.3
152.01141	13.4
152.05647	1.2
156.00630	3.2
167.03491	100.0
168.03772	3.6
178.99826	4.2
181.45955	1.4
183.02959	5.7
211.02472	94.4
212.02829	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	211.0248
Annotation	2-Hydroxy-6-ketononatrienedioate
Peak:m/z	Relative Intensity
59.01369	0.7
63.02412	1.1
65.00319	15.6
69.17344	4.2
71.01381	0.8
72.99293	0.8
80.86832	0.5
81.03437	0.7
83.01382	87.4
84.01691	0.8
84.99177	0.6
95.01389	0.7
95.05013	0.8
99.00897	1.7
107.01386	42.7
107.93822	0.5
109.02934	0.7
111.04514	0.5
117.24850	0.5
117.54541	0.4
121.02945	0.7
123.04523	0.7
123.08147	1.0
124.01621	0.9
135.00906	2.9
137.02473	0.6
139.04007	100.0
139.07596	1.6
140.04330	2.2
145.01715	0.5
149.06116	0.8
151.00363	2.5
151.07666	1.0
165.09174	0.6
167.01712	2.6
167.03485	14.7
167.04944	0.8
167.07071	0.8
178.99791	1.0
183.02974	30.2
183.13911	0.7
210.06818	3.4
211.00502	1.1
211.02458	16.3
211.04419	1.2
211.05667	0.7
211.07668	13.3
211.09720	1.4
211.13356	3.6
212.07816	0.8
217.09941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0247
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
59.01372	0.6
65.00314	0.7
65.11754	0.3
66.22836	0.3
68.99808	1.6
69.40110	1.2
69.40520	0.8
69.70165	0.3
79.40125	0.3
81.07267	0.3
83.01382	100.0
84.01685	1.5
95.01430	0.4
95.49393	0.3
99.00871	1.0
104.57034	0.3
105.38595	0.3
107.01382	5.7
108.02177	0.7
111.00866	0.4
123.08157	0.7
125.02432	0.7
126.99490	0.6
127.00372	8.1
128.42661	0.3
133.98027	0.3
139.00343	0.3
139.03931	0.5
143.03387	0.3
151.06424	0.3
151.07652	1.3
164.98282	1.0
167.03481	16.6
167.10756	0.4
211.02466	14.6
211.07848	0.4
211.09746	0.9
211.13303	1.5
212.02901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	Antiarolaldehyde
Peak:m/z	Relative Intensity
50.96781	0.2
58.28621	0.3
59.01373	0.5
61.98800	0.3
63.02396	2.6
65.00314	0.9
67.01871	0.6
68.20364	0.2
68.99841	0.5
69.03450	0.4
71.01375	0.5
71.51581	0.3
72.99289	0.8
75.11059	0.2
77.03927	0.3
81.03454	3.9
83.01383	2.5
83.05013	2.6
91.01903	0.3
93.03468	0.7
95.01382	0.6
95.05029	4.6
96.95997	0.6
96.99326	0.5
97.02956	1.1
99.00886	1.4
105.03456	1.4
107.01383	0.8
108.02152	0.6
109.02951	0.7
111.04494	2.9
121.02929	0.4
121.06561	0.4
123.04519	3.8
124.01657	4.4
125.02441	0.2
125.04404	0.3
133.02979	0.4
134.03717	0.9
134.49919	0.2
135.00887	2.7
135.04480	1.3
136.01689	1.2
137.02438	100.0
138.02779	1.4
139.04004	4.9
149.06093	0.9
151.00351	1.2
151.06071	0.4
152.01123	0.7
155.79022	0.3
156.00603	0.3
161.02391	0.4
165.01978	0.6
167.03490	16.4
167.07153	0.6
168.10376	0.3
178.99828	0.4
181.01440	0.6
183.03000	0.6
193.05020	1.7
196.03735	0.3
209.01010	0.5
211.02437	6.6
211.05836	3.3
211.07721	1.3
211.09505	0.5
211.13347	3.2
212.04774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43876	0.3
61.05730	0.3
61.98828	100.0
70.06671	0.6
70.07059	0.6
82.62371	0.3
105.91933	0.3
124.04030	0.6
163.95636	0.3
209.94891	40.2
210.95029	1.5
226.06296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
50.33533	0.7
56.22059	0.7
60.66825	0.6
65.00324	3.9
67.37177	0.7
67.55910	0.7
70.98582	1.2
72.04554	1.6
76.13454	0.6
77.03957	0.7
78.29610	0.8
81.03460	1.2
83.01385	40.8
86.61731	0.6
92.99816	2.1
93.03461	13.4
95.05035	5.9
96.96004	1.4
97.02949	0.7
99.00903	1.4
105.03445	7.9
107.01376	1.1
112.34430	0.8
112.46243	0.7
115.04007	1.3
121.02979	2.0
123.04522	100.0
124.01673	0.8
124.04833	2.0
134.22020	0.6
136.98802	8.8
139.04004	7.1
140.10840	1.0
152.01157	1.6
167.03487	93.1
168.03870	2.3
168.10335	1.9
169.01405	0.9
183.02940	2.1
211.02475	31.6
211.13358	1.9
212.02713	1.1
212.09290	0.8
219.38907	0.7
226.71118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01885	1.9
56.41167	0.4
57.03444	1.4
59.01376	1.7
60.34068	0.5
60.68562	0.5
61.98825	4.5
62.26722	0.5
65.00301	0.6
68.99815	0.6
69.03462	0.9
70.42340	1.0
70.42709	1.0
71.01377	0.6
71.04997	0.6
75.20383	0.4
80.02699	1.1
81.03459	4.1
83.01384	22.9
83.05022	3.1
84.02163	1.2
85.02961	1.9
91.01934	0.9
92.99817	2.4
93.03452	2.9
94.02990	1.1
95.05024	1.9
96.96005	0.5
97.06571	3.6
99.00869	0.7
107.05046	0.6
109.06607	1.0
120.02137	1.0
121.02956	67.8
122.03294	1.8
123.04481	0.6
123.08158	2.3
124.04042	3.0
125.09720	22.2
126.09966	0.5
130.57240	0.6
135.04518	0.6
135.08131	2.0
136.01738	1.0
136.98807	1.5
137.02446	1.0
147.11752	1.1
149.02440	0.7
157.25076	0.6
163.11270	7.5
164.98338	1.1
165.01874	0.9
165.05603	0.7
165.12862	3.6
167.10693	0.8
173.09689	0.7
179.03474	0.7
181.12350	1.4
191.10768	7.1
194.02104	0.6
194.05742	0.5
208.93298	0.6
209.00941	2.3
209.04561	10.6
209.11810	100.0
209.94902	1.4
210.12160	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	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01373	2.7
61.55540	0.5
61.98828	18.7
63.24441	0.5
65.00343	0.8
67.01862	0.6
68.02850	0.5
69.24252	4.8
71.01385	0.8
75.90774	0.4
76.00831	0.5
80.02621	0.6
85.02950	0.9
91.01896	1.7
92.99825	2.2
93.03441	2.7
94.02982	1.4
95.01443	0.6
96.96021	1.1
98.53705	0.5
109.02991	0.5
118.94169	0.9
120.02180	1.2
121.02953	86.7
122.03250	2.6
124.04010	3.7
134.44016	0.5
136.01617	0.7
136.98775	1.4
137.02435	1.2
137.06123	0.7
147.86868	0.5
151.07610	0.7
152.57095	0.6
164.98274	1.2
165.01904	1.2
165.05580	0.6
165.12772	0.7
194.02187	0.9
209.00858	1.8
209.02730	1.0
209.04552	13.8
209.11813	100.0
209.94931	8.0
210.12112	3.6
211.56898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0614
Annotation	4-Nitrophenyl butyrate
Peak:m/z	Relative Intensity
57.03434	1.3
59.01383	8.8
66.70914	1.2
69.03429	1.4
70.97904	3.3
71.01382	2.8
72.00894	3.7
83.01414	1.9
85.02967	7.8
88.98827	1.6
89.02444	1.8
91.05515	7.0
93.03431	3.0
94.02955	3.4
95.01390	1.7
97.22198	1.4
107.01373	1.9
116.05074	3.1
118.06631	17.2
118.94196	2.4
119.05020	2.1
121.02960	10.6
129.01932	1.6
130.02226	1.7
135.04488	3.1
137.02472	2.6
138.01961	1.7
142.99785	2.5
146.06113	11.8
147.04517	71.5
153.01897	2.1
162.05583	9.2
164.07133	3.9
165.01886	3.0
178.02351	1.5
178.99940	2.7
181.01401	3.4
190.05086	100.0
191.05405	2.5
193.04543	1.6
194.76785	1.5
208.06116	39.7
209.00867	7.5
209.02975	3.9
209.04642	2.6
209.11723	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.74131	0.1
53.25407	0.1
59.01370	0.4
71.01353	0.3
71.28627	0.2
71.47490	0.1
72.99314	0.2
80.06399	0.1
86.08537	0.1
87.00886	0.2
92.88135	0.1
99.00884	0.2
111.00890	0.1
113.83105	0.1
115.00346	0.4
152.88802	0.1
154.99809	0.1
161.02466	0.1
176.98195	0.1
179.07513	0.1
189.12819	1.4
190.45473	0.1
205.15961	100.0
206.16304	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.75002	0.7
56.72186	0.6
58.02974	34.6
70.02976	13.9
70.98038	1.0
72.00906	5.0
79.14719	0.7
85.65334	0.7
90.76245	0.7
91.05529	12.7
103.05519	1.7
115.57615	0.7
129.82001	0.6
135.04533	1.6
147.04510	37.8
148.04849	1.1
162.09218	1.4
164.07155	100.0
165.07518	3.1
206.08208	39.4
207.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80362	0.1
58.04010	0.1
59.01377	2.0
61.98828	100.0
62.98540	0.2
68.31828	0.1
71.01474	0.2
71.01862	0.2
73.89970	0.1
75.00871	0.1
129.01984	0.4
147.03008	0.3
162.98434	1.4
164.96400	0.2
177.01904	0.5
192.04315	0.6
204.61374	0.1
206.97443	10.1
207.06551	0.2
207.97572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01376	4.7
61.98813	0.5
65.50087	0.2
71.01382	0.3
71.40182	0.3
71.40526	0.2
75.00861	0.4
77.03969	0.3
85.02937	0.3
87.25873	0.2
91.01882	0.2
95.05012	0.4
99.00871	0.3
105.03458	3.9
112.66311	0.2
119.01394	0.4
119.04932	0.2
121.19604	0.2
123.04577	0.3
129.01974	1.3
132.02158	0.2
133.02953	34.2
134.03299	0.5
135.04555	0.2
147.03003	0.9
148.05315	0.3
149.02429	2.1
151.04007	0.3
163.00385	0.3
164.04785	2.6
177.01917	13.1
178.02380	0.3
178.99870	0.4
179.03568	0.3
192.04271	100.0
193.04602	2.9
206.99306	0.5
207.03116	0.6
207.06602	23.0
207.13847	0.4
208.06947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.035
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
51.54465	2.1
55.01870	9.7
57.03439	4.0
58.00566	3.6
59.01377	78.7
61.14199	2.1
61.98810	2.9
67.01916	4.2
68.99810	8.0
70.63145	4.0
70.63475	3.5
71.01378	79.5
71.05010	8.3
72.99305	46.7
73.02934	13.0
75.00871	31.7
78.50812	1.9
80.74158	1.9
81.03424	3.2
83.01383	13.0
84.57282	1.9
85.02937	5.3
87.00870	69.5
89.02428	6.7
96.99319	7.6
99.00878	37.3
99.04512	18.2
100.98726	2.5
101.02434	23.7
102.24277	2.3
102.49525	2.2
103.00348	6.3
105.01928	7.6
111.00877	62.5
112.01205	2.3
112.98807	31.8
115.00363	100.0
115.03999	3.7
117.01926	13.9
118.94534	2.0
123.26027	2.0
124.98808	12.0
125.02441	56.8
127.00370	9.5
129.01926	13.7
129.47629	2.3
142.99852	23.1
143.03468	9.7
145.01419	26.6
145.05183	2.0
154.99884	15.2
169.01497	2.4
169.05223	2.1
173.00926	5.7
175.02422	9.3
187.02440	9.1
189.52795	2.3
205.03497	26.4
205.07149	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61422	0.1
59.01379	2.8
60.01717	1.0
60.76024	0.1
61.01808	0.3
61.98829	100.0
62.98536	0.1
69.73690	0.2
69.74076	0.3
87.00883	0.1
87.01456	0.1
99.28056	0.1
111.39505	0.1
143.86554	0.2
160.03767	0.2
166.83296	0.2
198.97581	0.1
203.99980	1.3
204.02806	0.5
205.15944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.3
57.03422	1.9
58.00584	3.5
59.01379	84.6
67.01897	3.4
68.99805	9.6
69.70998	2.3
70.99687	3.5
71.01381	94.0
72.99306	44.7
73.02940	11.5
75.00864	33.1
83.01395	13.2
84.99297	2.6
85.02950	4.7
86.45320	2.1
87.00878	49.0
87.48370	2.1
88.98792	3.6
89.02445	8.6
96.99320	7.5
99.00880	46.3
101.02432	8.4
103.00378	7.9
111.00861	14.5
112.98807	42.4
115.00372	100.0
117.01952	14.3
124.98808	16.7
125.02426	7.1
127.00348	9.1
129.01936	20.0
133.01469	2.0
142.99863	24.8
145.01405	22.0
154.99878	13.2
157.01361	2.4
173.00911	6.6
175.02487	9.0
175.78568	2.1
205.03494	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.07925	0.3
59.01358	0.4
70.91927	0.7
73.39986	0.3
78.51569	0.3
83.04992	0.3
86.28000	0.2
99.08167	0.6
106.50095	0.3
125.09757	0.5
127.11294	10.4
130.14069	0.3
137.09747	0.4
139.11285	0.4
155.10783	5.7
157.12335	44.3
158.12656	1.2
185.11813	0.9
201.11282	0.7
203.12869	100.0
204.13225	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	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
52.73608	0.7
54.04057	0.9
54.04344	0.8
59.01369	1.1
69.78236	3.8
71.70223	0.7
72.00908	23.6
74.02470	30.5
81.06445	0.7
94.45300	0.8
95.61426	0.9
103.92015	3.1
114.02324	0.8
116.05062	100.0
117.05424	1.6
129.05864	1.3
130.06625	3.7
142.06616	26.9
157.07733	1.1
159.09276	19.7
160.04005	1.1
161.04819	1.5
175.03969	2.2
186.05594	4.8
203.08258	78.1
204.08592	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.52681	0.2
59.01378	1.5
69.03461	0.4
71.01397	0.1
71.05027	0.4
71.53316	0.2
72.99311	0.5
73.01163	0.2
73.02886	0.2
78.65367	0.1
83.01378	0.2
83.05016	0.3
85.02953	0.6
97.02951	0.2
99.00861	0.3
103.92032	0.9
104.97758	0.5
111.08126	1.5
113.02480	0.2
113.09724	3.7
115.92708	0.2
116.05053	0.5
123.08199	0.7
127.11280	3.6
130.04234	0.3
130.06598	0.2
130.94341	0.2
131.05013	0.8
137.09734	0.8
137.80260	0.1
139.11281	1.8
141.09203	1.8
142.06616	0.4
148.95404	0.2
155.10770	7.1
156.11060	0.2
157.12325	39.5
158.06107	0.9
158.12685	1.0
159.04559	0.2
167.03474	0.3
175.03973	0.3
185.11815	0.8
186.05554	0.3
201.11317	0.7
202.94116	0.3
203.03531	1.1
203.12857	100.0
204.03232	0.2
204.06615	1.5
204.13181	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	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16930	0.8
55.92047	0.9
57.03448	0.9
58.15052	1.0
59.01379	9.4
66.03486	1.4
69.03449	1.3
70.02979	5.0
70.78204	2.3
71.01384	3.3
72.99303	3.7
74.99366	2.4
82.02958	1.0
83.05009	1.5
84.04557	8.2
85.02942	2.4
86.02487	1.7
87.00862	1.8
88.04044	7.2
88.98769	1.2
92.05020	0.8
94.02953	2.2
94.06639	1.2
95.05024	5.7
96.00894	1.0
96.04562	2.4
97.01694	1.6
98.02483	13.9
98.06080	1.3
98.45520	1.0
101.92501	6.9
103.92023	3.2
108.04538	4.5
110.02473	20.9
110.03183	1.7
110.06134	4.4
110.97005	2.1
111.04510	3.1
112.04042	10.9
112.07661	7.2
113.06114	1.0
115.08762	4.0
122.02497	1.2
123.03275	2.3
124.04024	3.0
126.05602	3.5
128.03554	5.7
128.94830	2.3
128.96802	11.4
130.61932	0.8
136.04054	7.3
138.05600	17.2
140.03560	1.5
146.95882	1.8
154.05109	18.4
155.03552	4.3
156.03035	2.4
156.06635	20.7
157.05043	1.1
172.06165	2.1
174.03232	2.7
175.02751	0.8
182.04585	30.6
200.05632	100.0
201.05836	1.7
201.08888	1.0
201.12463	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.71147	0.3
60.01709	0.7
65.07647	0.3
69.14326	0.3
69.74244	1.4
76.99032	0.3
95.86534	0.3
98.19936	0.4
113.04619	0.4
125.83975	0.3
140.57227	0.3
153.55608	0.3
157.03566	7.0
158.03789	0.4
159.01498	1.9
162.89740	0.3
197.32724	0.3
201.02547	18.2
202.02843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0196
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01858	1.3
57.03431	2.1
59.01364	2.4
60.99300	2.0
67.01887	3.0
69.03448	58.8
69.49152	7.1
71.01375	37.3
72.99303	5.5
75.00871	3.2
77.02111	1.2
79.01881	21.1
83.01382	1.5
85.02919	8.1
87.00860	10.9
95.01376	6.4
97.02944	77.9
99.00877	2.0
103.92027	6.2
104.97721	3.6
111.00896	2.1
113.02483	1.7
115.00362	8.3
121.20472	1.0
123.00880	3.2
129.01897	4.1
130.94286	2.8
141.01930	19.4
148.95404	1.2
158.08127	1.4
159.02960	2.1
180.99922	1.1
185.00810	1.5
202.94032	2.9
203.01949	100.0
204.02367	1.4
204.08739	3.1
222.36337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16930	0.8
55.92047	0.9
57.03448	0.9
58.15052	1.0
59.01379	9.4
66.03486	1.4
69.03449	1.3
70.02979	5.0
70.78204	2.3
71.01384	3.3
72.99303	3.7
74.99366	2.4
82.02958	1.0
83.05009	1.5
84.04557	8.2
85.02942	2.4
86.02487	1.7
87.00862	1.8
88.04044	7.2
88.98769	1.2
92.05020	0.8
94.02953	2.2
94.06639	1.2
95.05024	5.7
96.00894	1.0
96.04562	2.4
97.01694	1.6
98.02483	13.9
98.06080	1.3
98.45520	1.0
101.92501	6.9
103.92023	3.2
108.04538	4.5
110.02473	20.9
110.03183	1.7
110.06134	4.4
110.97005	2.1
111.04510	3.1
112.04042	10.9
112.07661	7.2
113.06114	1.0
115.08762	4.0
122.02497	1.2
123.03275	2.3
124.04024	3.0
126.05602	3.5
128.03554	5.7
128.94830	2.3
128.96802	11.4
130.61932	0.8
136.04054	7.3
138.05600	17.2
140.03560	1.5
146.95882	1.8
154.05109	18.4
155.03552	4.3
156.03035	2.4
156.06635	20.7
157.05043	1.1
172.06165	2.1
174.03232	2.7
175.02751	0.8
182.04585	30.6
200.05632	100.0
201.05836	1.7
201.08888	1.0
201.12463	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.19619	0.4
55.01873	0.5
57.03429	1.3
58.00591	0.5
58.43836	0.4
59.01372	1.2
61.98830	3.4
65.00309	0.8
67.01883	1.7
69.03447	1.0
71.01367	1.2
71.05010	1.9
71.53242	0.6
73.02944	0.8
81.03448	0.9
83.01389	3.1
83.05021	1.1
85.02952	1.2
92.99814	1.5
97.02872	0.4
99.00858	3.2
99.08157	1.5
109.02927	1.3
111.00883	3.2
111.04500	0.5
113.02434	2.6
125.02418	0.9
125.06082	0.5
125.09720	1.2
127.00365	1.5
127.03983	1.3
127.11298	3.5
136.98816	2.6
137.02428	0.7
137.06088	0.7
137.09700	1.0
139.03955	0.5
153.01926	7.8
153.12798	1.2
154.99911	0.8
155.10797	5.1
156.89442	0.9
162.83934	0.8
163.11163	0.7
164.83609	0.7
165.91499	0.4
169.12337	1.4
181.01424	13.4
181.12334	1.6
197.11771	1.5
198.90614	0.4
198.98772	1.1
199.02426	1.0
199.09819	2.9
199.13388	100.0
199.16992	2.5
200.13754	2.6
202.16101	0.5
209.84103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
65.00311	2.6
67.01888	1.0
68.99818	0.3
69.62546	1.7
71.15031	0.3
80.86498	0.3
81.03453	2.1
83.01376	4.5
83.05036	0.4
84.23676	0.4
94.05174	0.4
95.01406	0.8
99.04530	0.6
109.02966	6.0
111.00888	2.8
125.02409	0.6
135.00897	1.6
136.97804	0.7
136.98802	7.0
137.02428	5.7
140.56656	0.4
153.01929	60.5
154.02255	1.3
155.03505	1.2
164.98322	0.5
181.01416	100.0
182.01772	2.7
182.68672	0.4
199.02481	4.7
199.09917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01865	0.5
59.01379	0.5
61.98827	2.3
68.99857	0.4
69.03082	0.3
69.03461	0.8
69.42311	2.3
71.05011	1.0
80.25816	0.3
81.03436	0.4
83.01372	0.6
83.05026	0.6
95.01357	0.7
95.05043	0.6
96.95980	0.4
97.06582	13.4
98.20697	0.6
99.08150	3.3
109.02955	0.7
109.06577	0.8
111.08131	0.6
116.92807	0.4
117.73882	0.3
121.02966	1.4
122.03738	2.0
123.00889	3.8
123.04491	0.3
125.02427	1.0
125.09731	0.9
126.03249	0.7
126.90510	1.6
135.08133	0.4
137.09683	1.5
138.03229	0.9
145.30377	0.3
151.11258	1.2
153.01926	1.1
153.05580	1.4
153.12840	100.0
154.13148	3.3
157.14664	0.3
159.25475	0.3
160.84163	1.5
162.83905	3.3
166.99850	3.0
178.99794	0.9
179.10762	22.8
180.11142	0.7
182.02211	6.2
197.02176	0.5
197.04509	1.9
197.08110	0.5
197.11823	10.9
197.80833	2.3
209.61800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0248
Annotation	3-Carboxymethylmuconate
Peak:m/z	Relative Intensity
53.00837	0.3
57.03447	1.3
62.58141	0.4
65.00317	3.1
67.01885	0.9
68.99795	0.5
69.03465	0.8
70.23956	0.9
71.01347	0.5
81.03452	2.4
83.01382	5.3
83.04983	0.5
83.38964	0.3
84.35103	0.4
93.03484	0.4
95.01414	1.5
98.19926	0.5
99.04530	0.9
108.99371	0.4
109.02943	7.2
111.00877	3.3
120.64722	0.4
125.02432	0.7
135.00888	1.8
136.98798	7.5
137.01460	0.7
137.02437	5.8
139.00356	0.8
153.01927	67.0
154.02246	1.4
155.03511	1.2
155.10757	0.6
164.98251	0.7
181.01414	100.0
182.01773	2.1
186.99330	0.3
199.02458	4.1
199.03999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.49995	0.9
55.40048	1.0
57.03449	1.2
59.01378	2.1
61.98820	8.6
65.00316	2.1
65.99831	2.8
67.01910	1.6
68.99824	2.8
73.39269	1.2
76.01913	1.6
78.03487	2.9
80.34525	1.2
81.03471	2.8
83.01386	4.8
85.02944	1.2
92.01408	1.1
92.99856	1.6
94.02964	2.3
95.01371	6.6
104.01440	2.6
104.99857	1.2
107.01403	2.2
109.02932	6.2
111.00883	1.8
116.92841	3.3
119.02497	1.1
120.00902	2.1
121.02982	6.0
122.02480	1.5
123.00893	20.3
125.02448	4.0
126.90498	8.6
133.01691	3.3
137.02405	3.3
137.09804	1.3
138.02098	2.0
138.03224	6.4
150.01936	7.0
153.01962	5.9
153.05602	7.6
153.12909	1.5
160.84242	3.5
162.83913	9.5
163.01509	1.2
166.99843	17.8
167.02226	2.7
168.01744	1.5
169.12370	1.5
175.76913	1.1
178.99857	3.7
179.01170	1.5
180.01784	5.6
182.02197	37.9
192.59143	0.9
197.02054	100.0
197.04492	11.4
197.08115	2.5
197.11803	12.2
197.80797	6.9
201.61293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0607
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
59.01387	3.2
61.49958	2.0
61.98824	29.6
65.00324	5.0
68.99815	3.3
69.41531	11.9
69.41947	4.8
69.99500	1.9
71.01398	2.2
81.03456	7.1
83.01389	8.6
91.01891	2.2
95.01382	9.5
97.06561	3.0
107.01383	3.3
109.02944	12.1
111.00885	3.5
116.92838	9.3
119.71153	1.9
121.02960	11.5
123.00874	45.8
125.02413	5.5
126.90508	29.3
137.02399	3.3
138.03226	10.1
153.01932	12.0
153.05576	15.1
153.09187	3.8
153.12856	24.9
160.84198	14.0
162.83905	36.3
165.02106	2.0
166.99861	35.6
169.12306	2.9
178.99872	9.3
179.10760	6.2
182.02208	71.8
182.05753	2.5
196.91118	4.3
197.00847	8.1
197.04488	25.2
197.06062	100.0
197.08017	6.3
197.11810	21.8
197.80818	23.2
198.06380	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	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
54.56354	0.8
57.03451	4.6
58.00559	0.8
59.01377	22.9
70.35056	2.8
71.01381	11.0
72.99306	8.0
73.02949	0.8
75.00872	100.0
76.27209	0.8
78.95885	1.9
83.01397	1.6
85.02947	8.1
87.00880	13.4
89.02451	7.9
90.35213	0.8
96.96964	3.8
99.00882	9.2
101.02425	2.5
105.01917	2.8
111.00891	3.7
112.94386	0.9
113.02438	1.3
129.01939	37.7
141.01941	3.2
147.03091	1.3
159.02992	13.0
177.04044	5.7
177.27284	0.9
194.57063	0.8
195.05092	87.4
195.11465	1.6
196.05464	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.99594	0.2
55.91075	0.2
59.01363	0.5
61.98832	1.0
66.03483	0.3
68.99570	0.7
71.51233	0.4
71.64256	0.2
83.01369	0.3
86.50191	0.2
89.00327	0.3
99.08137	0.3
101.00165	0.2
107.01408	0.3
109.06580	3.6
110.29048	0.2
111.08159	2.9
111.12033	0.2
112.98560	0.7
122.03733	0.5
125.09737	0.8
135.11775	0.6
138.06844	0.7
139.07683	0.3
151.11234	0.5
154.65369	0.2
160.84183	1.3
167.14403	5.7
168.14784	0.3
179.10776	4.0
179.96193	0.2
180.04308	0.3
180.11481	0.4
194.99408	0.2
195.13889	100.0
195.81041	0.7
196.14236	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	194.0456
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
51.02398	0.4
57.03452	0.5
59.01375	1.1
60.30071	0.3
65.99840	0.4
66.03482	100.0
67.01872	2.9
67.03821	0.9
69.37933	2.4
69.38342	0.7
73.02970	0.5
74.08636	0.4
81.03481	0.4
82.02982	1.8
83.01382	36.0
84.01688	0.6
90.03490	1.9
91.01891	0.6
92.01418	10.5
92.54053	0.5
102.02770	0.9
107.01434	0.4
108.04556	8.2
109.02967	0.4
121.02985	1.6
132.04549	15.3
134.02473	0.9
134.03687	0.5
135.04100	2.4
139.00484	0.5
150.05591	10.8
153.01906	0.7
162.04916	0.9
165.08426	0.5
176.03511	8.7
179.03067	1.3
194.04523	9.6
194.07318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0458
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
59.01370	0.4
59.54565	0.2
60.01725	0.2
66.03487	0.3
69.52486	1.5
69.88592	0.3
74.49345	0.2
79.46193	0.3
80.05054	0.4
83.01405	0.2
85.02963	0.3
87.41504	0.3
99.00824	0.3
102.02783	0.4
104.05068	0.4
106.06625	100.0
107.06952	1.8
108.04556	0.3
112.25851	0.2
135.04068	0.6
150.05598	30.8
151.05919	0.6
161.97217	0.2
162.04890	0.6
179.03087	0.4
194.01834	0.3
194.04543	6.6
194.07481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58593	0.4
60.69120	0.5
62.03911	0.5
62.37072	0.4
65.83172	0.6
69.15788	3.2
69.16211	1.8
71.01384	0.6
93.03421	0.8
116.78641	0.5
121.02947	2.2
125.78813	0.7
133.02957	15.6
134.03745	16.9
137.01465	1.0
137.02440	12.3
139.04008	2.9
140.31174	0.5
150.03203	1.4
161.02434	25.6
162.02899	0.5
178.02776	3.5
181.05214	0.4
193.05043	100.0
194.05357	2.3
194.06989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0142
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
54.87567	0.2
55.01860	0.6
57.03429	0.6
58.00596	0.2
59.01373	2.9
61.76930	0.2
64.19663	0.2
66.03477	0.2
67.01886	0.7
69.03463	1.2
69.21371	0.9
69.21806	1.0
71.01374	4.4
72.99303	0.7
73.02945	3.7
79.01886	0.3
81.03448	0.5
82.46468	0.2
83.01381	2.0
85.02948	4.6
86.00089	0.6
87.00880	3.8
89.02450	0.4
91.01881	0.4
93.03458	2.5
95.01392	1.2
95.05009	0.2
97.02940	1.9
98.19958	0.5
98.25836	0.2
99.00876	3.7
101.01794	0.4
101.02440	5.5
107.01395	0.4
108.02154	0.4
109.02235	0.4
109.02947	6.7
111.00859	0.4
112.01649	0.4
113.02438	0.9
117.01915	0.3
117.03462	0.3
119.01351	0.8
120.38470	0.2
121.02947	6.2
123.00878	0.6
124.01674	0.2
125.02458	1.9
133.02913	0.3
134.03737	8.8
136.01645	0.2
137.02435	19.8
138.02791	0.3
139.04036	0.4
140.01201	0.4
141.01945	1.7
142.02634	0.2
147.00876	1.5
149.02425	0.8
149.06082	1.3
150.03159	0.3
155.03462	1.3
158.41330	0.2
159.03008	0.3
161.04541	8.8
164.01137	0.3
165.01923	14.7
172.81075	0.2
175.00357	3.3
175.06171	0.3
177.94292	0.2
178.02704	4.1
191.05574	0.3
192.00635	0.3
193.01402	100.0
193.07147	6.8
194.01726	2.2
194.04637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
54.92768	0.5
55.01869	0.9
56.51701	0.5
57.03434	0.5
59.01375	5.6
67.01888	0.6
69.03456	1.5
69.38874	4.3
71.01378	5.9
72.07905	0.5
72.99300	1.8
73.02943	5.5
74.05168	0.5
78.26406	0.5
81.03439	0.8
83.01378	3.1
85.02945	6.9
86.00125	0.8
86.03414	0.5
87.00867	5.1
89.02431	0.8
89.03984	0.5
91.12663	0.5
93.03458	1.2
95.01413	1.3
96.58071	0.5
97.02946	2.9
99.00887	5.7
101.02444	7.4
106.04248	1.1
109.02936	0.8
111.00864	1.5
112.01665	0.7
113.02444	2.0
117.03440	1.0
121.02922	4.0
123.00841	0.7
125.02443	2.2
131.67198	0.5
133.02968	5.3
134.03737	100.0
135.04080	1.5
137.02440	17.5
139.04010	5.7
141.01938	1.7
142.02721	0.6
143.13254	0.5
149.02495	1.0
149.06071	24.1
150.03194	2.1
155.03491	1.6
161.04544	11.3
165.01967	0.8
165.09193	1.1
175.06046	1.0
178.02701	63.0
179.03065	1.1
193.05055	33.6
193.07150	9.6
193.08742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
52.26185	0.2
57.03440	0.7
57.85926	0.2
59.01374	3.1
59.56866	0.2
60.99258	0.2
67.01890	1.1
69.03445	0.6
70.83937	0.5
71.01386	1.6
72.99292	0.5
73.02930	1.0
74.56606	0.2
79.93502	0.2
81.03462	0.9
81.64922	0.2
83.05013	0.9
85.02947	22.3
86.03289	0.4
87.00876	6.6
90.22536	0.2
93.03457	7.0
94.03786	0.3
97.87932	0.2
99.00876	0.3
99.04508	0.8
101.02408	0.2
109.02954	1.5
111.00878	8.2
111.04511	1.8
113.02454	0.2
117.01910	0.4
127.04017	4.1
129.01935	0.7
154.99902	0.4
171.02975	1.1
173.00882	0.6
173.04532	1.9
189.86896	0.2
191.05600	100.0
192.05919	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	191.0348
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.06005	0.2
57.03442	2.2
59.01378	8.0
63.02395	3.6
65.00323	3.0
67.01888	1.0
70.65006	0.7
71.01369	0.8
72.99311	0.3
73.02937	1.2
79.01847	0.2
79.05529	0.6
81.03458	2.9
83.01385	1.5
84.02170	0.5
85.02950	10.2
87.00874	13.0
91.05537	0.6
93.03452	1.0
103.05483	0.5
105.03471	2.0
107.01398	2.3
111.00877	28.2
112.01210	0.5
117.01945	0.3
119.04993	1.9
121.02947	0.5
123.04527	2.0
129.01938	1.6
131.03470	0.5
132.02171	0.2
135.04535	0.3
145.04836	0.3
147.04523	5.5
148.01686	0.5
149.02438	4.4
154.99823	0.4
163.04036	0.5
172.90210	0.2
173.00883	1.2
176.01163	1.1
177.40790	0.2
190.69753	0.2
191.02042	4.3
191.03502	100.0
191.05504	8.7
192.03815	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	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03418	0.3
58.31107	0.2
59.01375	3.2
69.77526	0.6
69.77908	0.6
73.02927	0.4
83.01398	0.2
85.02964	1.8
87.00873	2.3
93.03451	0.4
99.04510	0.3
111.00878	4.2
119.05038	1.3
121.02952	100.0
122.03286	2.0
129.01959	0.5
131.03477	0.3
137.56134	0.3
140.69621	0.2
143.82903	0.2
147.04529	6.0
163.03976	0.8
173.00839	0.3
176.01117	0.6
191.01955	0.4
191.03503	9.9
191.05594	3.0
191.07199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03444	6.7
59.01373	1.3
59.95924	0.2
67.01880	3.3
69.92265	0.6
69.92678	0.5
71.01371	0.3
72.99313	0.4
73.02938	0.4
73.55682	0.2
77.34643	0.2
78.41462	0.2
80.16824	0.2
82.93356	0.2
83.01411	0.2
85.02946	31.5
86.03275	0.4
87.00871	48.9
88.01214	0.6
93.03443	1.3
99.00880	0.3
101.02444	0.5
101.43037	0.3
103.03977	0.5
109.02939	0.3
109.65195	0.2
111.00874	100.0
112.01214	1.5
117.01924	0.4
127.04019	0.9
129.01932	5.4
130.99847	0.8
143.49385	0.2
147.02962	0.4
154.99858	0.9
158.66698	0.2
173.00906	2.3
173.04532	0.3
173.81712	0.2
186.21454	0.2
191.01974	12.9
191.05594	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90670	0.4
57.03447	5.8
59.01372	1.5
65.14893	0.4
67.01877	3.2
70.07643	1.3
71.01383	0.5
72.99326	0.8
73.02940	0.6
83.05058	0.4
85.02946	30.4
86.03333	0.3
86.06792	0.4
87.00871	45.6
88.01167	0.4
89.94692	0.4
92.68170	0.4
93.03477	0.7
101.02461	0.6
103.03999	0.7
111.00875	100.0
112.01215	1.2
112.98741	0.5
117.01882	0.8
127.04036	0.9
129.01942	6.5
130.99864	0.7
147.03017	0.4
153.65077	0.4
154.99854	1.1
173.00882	2.7
173.04442	0.4
191.01982	13.3
191.05602	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.00233	0.2
54.73594	0.2
59.01376	3.1
61.98811	0.7
64.82062	0.2
65.99831	0.2
70.08836	0.4
70.09222	0.4
76.50647	0.2
78.02513	0.2
84.74988	0.2
85.06611	0.2
87.92530	2.4
88.80382	0.2
92.98241	0.2
102.03487	0.2
103.92033	0.8
105.93591	0.4
116.05102	0.4
118.03033	0.2
123.94651	0.9
126.05570	0.2
127.00387	0.2
127.07648	0.6
129.05583	1.2
141.86790	2.0
142.61823	0.2
144.04546	100.0
145.04895	2.2
159.03201	1.2
159.04379	0.2
159.52396	0.2
159.87869	0.5
160.05038	0.3
160.29782	0.2
170.88951	0.5
173.02505	0.3
173.14427	0.2
187.04044	0.3
188.03410	5.1
188.05157	0.3
188.06999	0.2
188.09131	0.2
188.85381	0.2
189.05534	0.5
189.07643	0.6
194.09735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0928
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
58.02971	1.9
59.01381	10.2
66.44489	0.7
67.06207	0.7
68.89257	0.6
70.66871	1.6
71.01379	7.3
71.05021	0.6
72.00903	1.8
74.02472	9.9
83.01392	0.6
84.04527	0.9
85.02910	0.8
87.00887	1.1
87.92529	100.0
88.04050	2.1
88.92561	1.1
89.02409	0.7
89.95217	0.8
98.02484	3.2
98.09787	1.6
99.04562	0.6
100.07688	2.7
101.02461	1.1
101.07198	0.9
102.05604	11.4
102.07519	0.7
102.92341	0.9
103.92030	36.9
104.92132	0.8
104.92805	2.6
105.93588	14.5
108.04530	0.7
113.06069	4.9
114.05593	2.5
114.09229	0.7
115.06907	1.0
115.07653	9.0
118.91850	1.0
119.91477	2.6
123.93795	1.2
123.94648	17.2
126.05607	23.5
126.09268	1.1
128.03532	10.7
129.05580	1.3
130.08737	3.3
142.05125	3.4
142.08722	7.4
144.04533	1.7
144.06656	8.2
144.10295	84.9
144.92322	0.8
144.95927	0.9
145.03056	0.8
145.04092	3.7
145.05061	0.8
145.10641	2.1
147.06635	2.0
147.20885	0.7
149.92534	1.1
170.04596	3.3
170.08208	3.0
171.03073	1.0
177.64082	0.7
177.92018	1.4
187.95247	0.7
188.05672	18.5
188.09261	64.3
188.33208	0.7
189.05551	1.5
189.09656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.01368	1.3
68.99824	1.1
69.03448	2.8
69.34251	5.3
71.01389	1.2
71.05006	1.2
76.77109	0.7
78.95894	1.1
83.01386	1.1
83.05023	1.4
84.99350	1.0
85.02931	1.6
85.06615	1.5
87.00865	5.1
89.55570	0.8
96.96975	1.0
97.02915	1.6
97.06587	2.0
97.69682	0.8
111.08139	0.8
112.98803	4.1
123.08147	1.4
139.00394	1.9
139.07698	1.4
139.11296	29.7
140.11612	0.9
141.05589	1.5
141.09233	5.3
142.06645	0.8
166.99852	3.5
167.10791	0.9
185.08258	2.7
185.11818	100.0
186.12151	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	186.965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09218	0.4
59.01378	10.4
60.99306	17.4
64.47408	0.4
66.48339	0.5
71.50622	0.4
87.92534	7.2
88.98802	100.0
103.92023	1.5
110.38972	0.5
110.66434	0.4
114.98059	1.1
126.05585	3.1
134.45535	0.5
137.05786	0.5
145.48407	0.5
188.05608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0399
Annotation	Plumbagin
Peak:m/z	Relative Intensity
53.74436	0.3
59.01364	0.7
59.95804	0.2
65.00311	0.4
68.25764	0.2
69.33498	1.9
71.01385	1.1
88.69017	0.3
97.06580	0.9
98.20588	0.5
99.00894	0.4
99.02676	0.3
102.04774	0.4
103.05527	2.6
103.92011	0.3
113.06080	0.6
115.05548	0.5
117.03474	0.5
125.02403	0.3
125.06098	0.3
125.09733	3.8
130.04237	20.4
131.05026	27.8
132.05363	0.7
141.86795	0.7
142.06595	1.2
143.05113	0.6
143.06973	10.7
145.03040	0.3
147.04541	0.4
158.03720	31.6
159.04501	100.0
160.04837	2.7
168.88902	0.6
169.05202	0.3
186.03233	1.7
187.03992	77.8
187.09641	2.5
188.04408	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	184.9855
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
51.79502	0.3
69.03455	0.4
70.02956	0.3
70.21371	1.1
78.95901	92.1
81.03442	0.5
85.93007	1.2
87.00861	0.7
96.96960	100.0
101.92509	0.5
110.98528	11.3
112.03980	0.6
113.06111	0.4
142.74866	0.3
152.99541	0.7
159.79063	0.4
166.97493	1.2
184.98547	9.1
185.00183	0.7
185.02164	4.1
187.00380	0.3
203.62202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16603	0.3
52.58093	0.3
59.81431	0.3
65.00323	100.0
66.00655	0.9
68.92255	0.4
68.99820	2.9
69.03482	0.5
78.95895	0.9
83.01400	0.7
93.20445	0.4
96.96965	0.9
99.00875	16.0
108.99315	10.9
111.91320	0.3
123.79396	0.3
139.00385	1.2
141.01915	2.2
142.06654	1.2
144.48364	0.3
152.98296	10.3
166.99863	1.4
185.00922	0.4
185.03551	1.1
185.06094	1.7
185.07872	0.5
185.11838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0817
Annotation	Dihydroaspyrone
Peak:m/z	Relative Intensity
57.03431	1.0
59.01368	4.3
62.28487	0.9
62.95083	1.1
63.25581	1.0
68.99807	3.0
69.03448	2.9
71.01376	6.0
71.51984	1.3
78.95913	5.4
80.02679	1.1
83.01394	4.2
83.05017	1.7
83.18272	1.0
84.99310	3.0
85.02944	2.1
85.06587	1.4
87.00875	100.0
95.05007	1.1
96.96954	5.7
97.02966	2.6
97.06569	4.4
99.00851	1.3
112.98808	13.9
113.02455	2.0
113.09696	1.1
123.08178	3.0
125.02416	1.9
139.00383	5.0
141.01929	2.1
141.05586	14.1
141.09210	20.8
141.81882	1.0
143.03513	1.0
166.99852	6.8
185.00882	2.5
185.08202	16.1
185.11832	14.2
185.15512	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	185.1181
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.00333	0.8
57.03437	1.2
57.23463	1.0
64.90377	0.9
69.03442	1.5
71.05016	1.0
75.54218	0.8
78.95903	1.0
85.06586	0.9
96.96935	1.5
98.20666	2.7
103.82765	0.9
111.00853	0.9
112.98827	2.7
139.00287	1.4
139.11295	30.6
141.09222	1.2
141.12862	1.7
166.99849	3.2
167.10768	2.1
185.00670	0.9
185.11813	100.0
186.12187	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03447	0.1
59.01361	0.3
65.00311	0.1
67.01880	0.5
68.99551	0.3
69.14994	0.2
69.15398	1.1
70.88580	0.1
71.01373	0.1
74.24532	0.1
77.03966	0.2
82.23844	0.1
83.01376	1.0
92.99832	0.2
93.03475	0.2
95.01382	0.4
95.05007	0.2
97.02929	0.2
98.02484	0.2
111.00887	1.1
111.04536	0.2
111.08130	0.1
112.98579	0.4
115.30269	0.1
121.03008	0.2
121.06577	0.3
123.00919	0.2
124.01642	0.3
124.03977	0.1
137.02420	0.6
139.00349	0.5
139.03990	0.4
139.07623	0.2
139.11324	0.1
140.01196	0.2
141.01927	0.4
152.98282	0.2
159.92976	0.2
161.12747	0.1
164.98286	0.2
165.01888	0.8
168.00642	0.4
183.00450	0.3
183.03001	2.9
183.13887	100.0
184.06122	0.2
184.14224	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	184.0613
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.91231	1.1
59.01376	54.1
62.31239	1.4
66.34876	1.2
67.51778	1.1
69.03447	1.6
70.02986	2.9
71.01375	13.5
71.50831	1.9
71.58205	1.0
72.04520	1.6
73.88580	1.0
78.95900	11.8
79.35199	1.1
82.02964	1.3
83.01375	2.6
84.04547	11.7
94.02972	3.3
95.05012	1.7
96.00883	2.6
96.04541	1.6
96.78375	1.2
96.96954	12.9
97.01692	5.4
97.02917	1.5
97.06606	1.8
98.02478	5.7
98.06151	1.7
100.04030	1.2
105.58556	1.4
110.02475	2.7
112.00425	1.1
112.04044	100.0
112.07683	1.7
112.98820	1.5
113.02447	3.6
113.06081	2.3
114.49051	1.2
122.06120	9.7
124.04041	74.7
125.02424	2.5
125.04401	1.7
126.09242	9.7
128.03584	1.4
128.07195	1.3
138.02802	1.5
139.00377	2.5
140.07178	41.8
141.05536	1.8
141.09187	1.5
142.02269	1.5
150.85138	1.5
154.08755	3.1
166.05069	3.9
166.99832	3.0
184.03355	6.2
184.06136	87.6
184.09703	4.3
185.11836	4.2
194.02866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
55.01876	3.8
59.01373	0.5
65.03944	0.7
69.03450	2.2
69.85020	3.0
71.05016	20.9
83.01370	4.1
93.03455	1.5
95.01356	1.0
95.05024	36.7
96.05361	0.5
97.02947	54.3
98.03285	1.0
98.19970	0.6
111.00878	1.7
115.03999	15.5
121.02960	0.9
121.06540	0.9
123.00877	1.3
124.01659	1.6
137.02457	0.9
138.05588	0.6
139.04005	100.0
140.04341	1.9
141.01886	0.6
165.01926	4.6
168.00621	1.6
183.02965	38.2
183.06477	1.1
183.10213	1.5
183.13892	1.0
184.03369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.2
67.01886	0.3
69.03442	0.2
69.60294	0.2
69.60701	0.8
76.64881	0.2
83.01379	0.9
95.01393	0.3
97.02986	0.3
109.02905	0.2
111.00865	1.0
111.04521	0.2
112.98555	0.3
113.07085	0.2
121.02947	0.4
121.06597	0.3
123.45152	0.2
124.98890	0.2
127.00025	0.2
137.02446	0.6
139.00374	0.5
139.07703	0.2
141.01978	0.3
164.98262	0.2
165.01933	0.7
168.00618	0.6
183.02995	3.2
183.13902	100.0
184.06213	0.2
184.14261	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	183.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26263	0.7
57.03437	2.7
59.01378	2.1
65.00319	2.2
65.03960	1.9
67.01884	3.5
68.99520	4.1
68.99879	1.3
69.03448	4.3
71.01369	1.3
77.03971	4.8
79.01884	1.1
81.03450	1.1
83.01382	13.2
83.05023	0.9
85.02978	1.1
92.99797	1.0
93.03441	2.0
95.01381	5.9
95.05029	1.5
96.99309	1.0
97.02957	2.5
98.19827	1.4
99.00875	4.9
109.02964	1.6
111.00871	8.5
111.04524	1.3
112.98567	7.5
113.02431	1.1
121.02943	4.8
121.06582	2.3
123.00877	2.3
123.04575	1.0
124.01665	1.4
124.98839	1.6
125.06068	0.8
125.49669	0.7
131.25854	0.9
136.98804	2.4
137.02443	20.1
139.00377	6.9
139.04004	2.2
139.07648	5.0
139.11290	2.1
140.01134	2.0
141.01913	10.7
152.98361	1.1
155.02420	1.6
164.98264	3.4
165.01923	22.0
166.99857	2.7
168.00658	3.4
175.56656	0.6
182.01900	0.9
182.99330	2.4
183.00395	2.9
183.02971	100.0
183.06335	3.1
183.10236	4.6
183.13910	2.6
184.03368	2.1
184.06236	0.6
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
50.09012	0.4
64.15934	0.4
67.23585	0.4
78.76164	0.4
80.63690	0.5
92.05059	3.4
94.02980	1.7
106.19827	0.4
108.04553	47.1
109.04905	0.8
110.06159	0.9
117.35123	0.4
120.04549	4.1
122.02483	1.1
123.03265	1.0
136.04025	0.6
138.05603	100.0
139.05930	1.4
147.64949	0.4
152.03537	1.2
162.03813	0.5
182.04570	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	182.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25006	0.5
64.83009	0.6
65.00330	1.2
66.00655	0.7
67.01884	0.8
68.99838	0.6
69.03427	0.9
71.96764	0.5
77.03964	1.9
79.01885	0.7
83.01385	6.2
88.15279	0.5
94.02972	0.8
95.01366	2.6
97.02967	0.8
99.00890	1.1
106.49448	0.5
108.02159	1.1
109.02950	1.0
110.00078	4.7
110.03261	1.0
111.00887	6.1
111.04530	0.6
121.02940	1.7
122.28891	0.5
123.00886	4.5
124.98833	0.6
125.01107	0.5
127.18760	0.5
136.98802	1.8
137.02444	7.4
137.99197	0.6
138.01970	1.0
139.00372	6.5
140.01163	3.0
141.01923	2.7
153.00665	2.4
153.01924	10.0
154.02263	5.8
154.04071	0.6
165.01944	5.9
165.11990	0.5
165.99071	6.8
166.99823	2.9
181.01413	13.1
182.02197	100.0
183.00455	15.1
183.02957	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0216
Annotation	fosmidomycin
Peak:m/z	Relative Intensity
50.98439	0.4
51.32308	0.4
58.83892	0.4
65.00323	0.9
67.01891	0.5
67.60358	0.4
68.99828	0.5
69.03449	1.0
70.82835	0.7
77.03976	0.5
79.01942	0.4
83.01382	4.7
93.03484	0.4
95.01385	0.9
96.99324	0.5
97.02959	0.7
99.00861	1.0
108.02177	1.0
109.02950	1.1
110.00092	5.4
111.00876	5.9
111.04486	0.5
112.98631	0.6
121.02968	0.9
121.06589	1.7
123.00876	0.9
136.98798	1.3
137.02441	4.7
137.99342	0.4
139.00371	6.9
139.07677	2.4
140.01167	2.8
141.01964	2.2
141.64450	0.4
153.01939	9.0
153.03160	0.6
154.02194	2.3
155.03490	0.5
164.01231	0.7
165.01910	4.5
165.99057	6.6
166.99861	2.2
181.01416	12.5
182.02197	100.0
183.02963	18.0
183.06599	0.5
186.01799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	Fomecin B
Peak:m/z	Relative Intensity
63.02404	0.6
65.00325	11.5
67.01900	1.1
69.85809	0.3
70.68311	0.9
81.03455	6.4
83.01383	11.7
96.99299	0.6
107.01408	0.6
108.99275	0.8
109.02948	11.7
111.00868	5.2
125.02464	1.0
128.78419	0.4
135.00887	4.5
136.98802	14.6
137.02412	3.2
139.00343	0.8
139.37762	0.3
153.01930	100.0
154.02301	1.8
164.98282	1.4
181.01422	62.9
182.01831	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	182.0209
Annotation	2,4-Dinitroaniline
Peak:m/z	Relative Intensity
50.20788	0.6
56.33791	0.6
65.00315	0.9
69.03448	1.1
77.03955	1.3
83.01376	4.7
95.01389	1.4
97.02951	0.9
99.00875	2.0
108.02163	1.3
109.02896	1.1
110.00095	5.5
111.00884	5.4
116.14175	0.6
119.09813	0.7
121.02974	1.2
136.98776	1.3
137.02429	7.6
139.00352	7.5
140.01074	1.9
141.01955	3.2
149.00926	0.7
153.01909	9.8
154.02229	7.2
165.01904	7.1
165.99072	7.1
166.99852	2.7
181.01411	12.6
182.02193	100.0
183.02959	29.7
183.32350	0.6
188.32919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0208
Annotation	2,4-Dinitroaniline
Peak:m/z	Relative Intensity
57.21326	0.7
61.59885	0.6
63.74582	0.8
64.30354	0.7
65.00320	1.5
67.01873	1.2
69.03441	1.0
69.14885	0.7
69.27950	6.9
77.03976	1.5
83.01380	6.8
93.03426	0.9
94.03011	1.4
95.01385	2.1
97.02939	1.1
97.39594	0.7
99.00898	1.7
108.02160	0.9
109.02983	1.4
110.00097	4.6
110.03297	1.6
111.00878	5.0
111.04512	0.8
112.01186	0.9
112.98656	0.8
121.02950	2.6
122.22012	0.8
123.00884	1.4
124.98896	1.0
125.92490	1.2
129.31181	0.9
136.98824	1.7
137.02434	8.0
137.99138	2.0
138.05635	0.8
139.00381	7.4
140.01155	2.8
141.01932	3.8
147.77652	0.7
153.01933	10.4
154.02269	11.4
164.01263	0.9
165.01930	5.9
165.99069	6.3
166.99837	2.5
181.01405	11.9
182.02197	100.0
183.02983	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	10.4
65.03964	0.4
67.01551	0.3
67.01904	0.8
68.99832	0.4
69.61600	1.9
81.03459	4.4
83.01385	10.5
95.01373	0.4
96.99292	0.8
108.99356	0.4
109.02953	11.0
111.00882	5.1
119.01503	0.3
125.02443	0.9
129.43951	0.3
135.00896	4.2
136.98810	14.0
137.02432	3.2
139.00389	0.4
153.01933	100.0
154.02260	2.1
164.98296	0.7
181.01430	50.4
182.01724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
50.76206	1.0
55.01862	2.2
57.03445	2.5
58.00595	2.0
58.19804	1.2
59.01377	43.0
59.78416	1.1
63.79528	1.2
69.03449	4.6
69.77673	2.6
69.78069	4.0
71.01379	42.3
72.99311	4.7
73.02942	10.6
75.00873	20.8
78.39861	1.2
78.95892	2.3
79.01904	1.5
81.03454	2.5
83.01389	6.0
85.02947	19.8
87.00874	100.0
89.02447	19.1
95.01378	4.2
97.02955	9.0
99.00877	25.0
101.02449	13.8
105.01926	3.4
111.00862	1.7
113.02428	5.5
117.01935	18.2
123.00914	1.8
124.58681	1.4
125.02448	15.0
129.01926	2.1
135.04524	10.7
135.54732	1.3
141.01930	9.4
143.03452	3.0
148.79709	1.1
159.02959	4.8
161.04541	71.5
164.01157	1.5
166.73959	1.1
177.04007	2.4
178.88423	1.7
179.03674	3.6
179.05600	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	Fomecin B
Peak:m/z	Relative Intensity
58.35108	0.3
59.01374	0.5
63.02396	0.6
63.62342	0.3
65.00323	12.0
65.03960	0.3
67.01882	1.0
69.03474	0.4
69.51289	0.7
69.51691	1.5
69.65491	0.3
81.03452	6.0
83.01385	12.3
88.80962	0.3
96.99310	0.7
98.19899	0.7
107.01350	0.5
108.99313	0.8
109.02950	12.1
111.00871	7.2
111.52789	0.3
115.63057	0.3
119.05063	0.4
121.02980	1.7
125.02438	0.7
135.00883	5.2
136.98802	15.2
137.02426	3.4
137.99179	0.3
139.00365	0.7
151.00301	0.4
153.01930	100.0
154.02284	2.2
164.98300	1.0
181.01419	46.3
182.01787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61780	0.4
59.42464	0.4
64.99969	0.5
65.00322	9.2
67.01892	0.8
69.27771	3.0
81.03459	5.8
83.01381	11.0
95.62932	0.3
96.99316	0.9
107.01428	0.4
108.99332	0.9
109.02342	0.2
109.02953	11.0
111.00874	5.6
125.02457	1.1
135.00871	5.1
136.98804	14.9
137.02429	3.4
139.00337	1.0
153.01930	100.0
154.02269	1.8
164.98280	1.0
181.01421	48.5
182.01785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
55.01861	2.6
57.03466	3.0
58.00598	2.3
59.01377	36.9
63.83511	1.4
65.86521	1.3
69.03439	6.0
70.31111	3.7
70.31508	3.2
71.01377	32.2
72.99316	9.4
73.02935	11.3
74.60873	1.4
74.90549	1.2
75.00876	17.2
81.03497	1.4
82.72746	1.4
83.01376	7.0
85.02943	29.0
87.00873	100.0
89.02429	12.2
95.01374	3.0
97.02946	10.3
99.00877	26.8
101.02442	12.7
104.03537	2.3
105.01929	94.8
107.33626	1.6
113.02447	4.4
117.01919	19.8
125.02437	15.5
129.01944	3.1
141.01920	9.9
159.02991	7.3
161.04552	72.6
177.04051	4.0
179.05603	98.9
195.34645	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	175.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.3
59.01380	14.9
67.01869	0.7
69.03453	100.0
69.77224	2.5
70.03796	0.8
71.01379	17.4
72.99307	40.8
73.02939	1.7
85.02943	1.9
87.00872	36.0
87.04523	1.4
95.05009	1.9
101.02400	0.8
112.32266	0.7
112.98849	1.3
113.02448	96.5
113.06079	3.3
114.02781	0.7
115.00376	43.9
115.04008	2.6
127.00301	0.7
127.72906	0.8
131.03485	0.7
133.05075	2.7
139.04002	15.9
157.05049	28.2
167.98291	0.8
175.02467	13.9
175.06065	1.4
181.87274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03436	1.2
58.00593	0.9
59.01072	0.7
59.01377	22.8
63.02398	48.2
65.00325	17.9
69.03448	2.1
71.01379	20.3
71.52397	1.0
72.99316	1.6
73.02946	3.7
75.00875	1.1
75.22356	0.6
82.15726	0.5
83.01385	25.0
83.12482	0.6
85.02948	8.6
87.00877	35.5
89.02440	8.0
94.03014	0.7
95.01379	1.5
97.02966	3.6
99.00879	9.6
101.02435	6.2
105.01929	0.8
107.01390	46.9
109.02892	0.6
113.02458	2.9
117.01935	6.3
121.02917	3.0
123.00890	1.0
125.02438	5.0
129.01927	0.9
130.94495	0.7
135.00919	1.0
135.04536	12.8
135.08220	0.8
141.01909	2.8
151.00363	100.0
152.00706	1.5
159.02960	3.0
159.53560	0.6
161.04556	20.9
164.04738	1.0
169.01419	17.9
177.04008	1.1
178.84161	0.9
178.99854	63.8
179.03230	4.5
179.05603	30.8
179.07117	1.8
179.10722	1.1
180.00204	0.9
195.64334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.81100	0.2
53.83518	0.2
59.01377	0.9
59.51120	0.2
59.54942	0.2
61.98569	0.2
65.00308	0.2
65.77104	0.2
70.74586	0.2
70.74922	0.3
71.01388	0.7
73.02953	0.2
85.02975	0.4
87.00878	1.0
91.05550	0.4
99.00858	0.3
101.02448	0.2
106.04277	0.2
107.05029	1.3
117.03461	0.5
134.03746	5.2
135.04521	100.0
136.04857	2.6
141.01932	0.3
151.00415	0.4
151.83075	0.2
161.04527	0.6
179.03491	21.0
179.05481	0.9
180.03864	0.4
194.69191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00570	0.7
59.01379	23.3
67.01896	1.0
70.24224	2.0
71.01380	33.1
72.99316	3.7
73.02952	3.1
81.09573	0.6
83.01406	1.4
85.02952	2.7
87.00875	78.3
88.01218	0.9
112.98801	3.0
113.02429	1.0
115.00371	100.0
116.00719	1.2
127.00454	0.6
129.01880	0.7
175.02469	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03442	1.2
57.16389	0.6
58.00591	0.8
59.01377	28.0
68.99805	0.8
71.01382	37.7
72.99309	3.2
73.02956	3.9
76.87063	0.6
83.01393	1.7
85.02948	3.3
87.00873	83.4
88.01206	1.0
99.00919	0.7
101.02412	0.9
112.98811	2.3
113.02466	1.2
115.00370	100.0
116.00683	1.4
118.83466	0.7
127.00413	1.0
135.27037	0.6
136.46271	0.7
174.88953	0.7
175.02477	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03442	1.0
58.00589	0.8
59.01377	25.3
63.01468	0.4
63.53647	0.5
67.01866	0.7
68.99826	0.6
69.34383	2.9
71.01379	34.2
72.99288	3.4
73.02951	3.0
83.01400	1.1
85.02953	2.1
87.00872	80.0
99.00883	0.7
100.34246	0.5
101.02457	0.9
112.98823	2.7
113.02435	1.1
115.00368	100.0
116.00711	0.8
127.00397	0.8
147.30962	0.5
174.88977	0.9
175.02461	32.2
187.97551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20375	0.3
57.03445	1.0
58.00592	0.9
59.01376	21.2
67.01876	0.9
69.92094	1.7
71.01378	32.1
72.99303	3.0
73.02945	2.7
83.01367	1.2
85.02939	2.5
87.00873	59.5
88.01222	0.6
98.19980	0.5
99.00887	0.7
101.02431	0.9
109.97823	0.3
112.98805	1.8
113.02433	0.8
115.00367	100.0
116.00687	1.4
127.00359	1.0
129.01918	0.5
132.24162	0.5
175.02464	31.9
176.02713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00300	3.5
55.01881	7.9
57.03445	5.6
58.00610	1.1
58.02961	1.2
59.01373	7.0
65.14884	1.0
67.01884	4.3
67.59209	0.9
68.86938	0.9
68.99802	3.5
70.64770	3.4
71.01378	100.0
72.99292	4.4
73.02950	9.2
74.95918	1.0
80.99811	1.3
83.01379	8.0
83.05008	2.4
83.63499	1.0
85.02454	2.0
85.02944	26.5
86.64877	1.0
87.00879	5.1
93.03458	10.9
96.99312	5.5
99.00874	42.0
99.04552	1.1
100.07671	1.3
101.08029	1.2
111.00879	30.1
111.04536	5.5
112.98806	46.0
115.00402	5.1
124.98802	32.7
128.07129	2.3
129.01961	7.5
137.02411	3.8
140.98291	2.5
142.99852	89.5
154.99828	3.9
155.03535	1.4
172.73068	1.2
173.00896	18.6
173.04568	2.0
174.07729	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.00300	3.5
55.01881	7.9
57.03445	5.6
58.00610	1.1
58.02961	1.2
59.01373	7.0
65.14884	1.0
67.01884	4.3
67.59209	0.9
68.86938	0.9
68.99802	3.5
70.64770	3.4
71.01378	100.0
72.99292	4.4
73.02950	9.2
74.95918	1.0
80.99811	1.3
83.01379	8.0
83.05008	2.4
83.63499	1.0
85.02454	2.0
85.02944	26.5
86.64877	1.0
87.00879	5.1
93.03458	10.9
96.99312	5.5
99.00874	42.0
99.04552	1.1
100.07671	1.3
101.08029	1.2
111.00879	30.1
111.04536	5.5
112.98806	46.0
115.00402	5.1
124.98802	32.7
128.07129	2.3
129.01961	7.5
137.02411	3.8
140.98291	2.5
142.99852	89.5
154.99828	3.9
155.03535	1.4
172.73068	1.2
173.00896	18.6
173.04568	2.0
174.07729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.4
59.01366	0.5
59.03857	0.3
66.46962	0.3
67.01567	0.2
67.01907	1.0
71.01399	0.8
71.52545	0.5
72.99303	0.4
73.02963	1.2
82.06631	0.5
83.05051	0.6
85.02988	0.4
85.20930	0.3
87.00887	0.3
93.03451	4.3
93.04018	0.3
99.00914	0.3
99.04525	0.3
111.00898	0.5
111.04543	0.9
117.89172	0.3
128.10802	2.4
130.08736	100.0
131.09076	1.3
137.02472	0.5
142.99863	0.4
144.04523	0.4
155.03589	0.4
172.09766	15.6
173.04552	0.9
173.08302	0.4
173.10150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.01894	0.3
57.03470	0.6
58.02980	1.6
59.01402	0.4
64.28828	0.3
67.01924	1.2
69.03476	0.3
71.01407	1.3
71.51678	0.5
72.99316	0.6
73.02944	2.3
78.44801	0.3
80.28473	0.3
82.06615	0.3
83.05042	0.7
85.02996	0.8
85.06577	0.4
92.03333	0.3
93.03457	7.1
93.04011	0.4
97.73595	0.3
99.00893	0.7
99.04536	0.7
99.92616	0.8
111.00877	1.5
111.04527	2.1
111.08147	0.6
111.25719	0.3
128.07121	0.3
128.07985	0.6
128.10818	3.5
130.08742	100.0
131.09096	1.6
137.02458	0.9
142.99782	0.4
144.04535	0.9
155.03465	0.4
172.04070	0.4
172.09753	18.2
173.02434	0.3
173.04453	1.0
173.08121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.9786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31450	0.9
58.99866	1.6
59.01377	83.3
60.99302	2.2
62.39869	0.9
70.97802	2.0
71.01373	2.0
72.99303	14.6
73.64768	0.9
73.98575	3.6
74.86255	0.8
74.99378	15.1
75.99447	1.2
77.39687	1.0
78.95906	29.7
81.03456	1.2
85.02922	1.3
85.95480	0.9
88.98799	12.7
89.98118	1.0
96.96014	3.2
96.96944	3.9
99.00628	2.0
101.31323	0.9
109.02956	3.1
117.00443	100.0
118.00546	3.2
125.49375	1.0
126.30531	0.9
126.98879	2.6
127.03997	2.5
128.96788	3.4
152.95952	3.1
153.01901	1.4
169.46948	0.9
170.97849	47.9
171.00661	3.0
171.10313	2.2
171.98091	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	169.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10749	0.3
64.17410	0.2
67.01891	0.4
67.14250	0.3
67.65202	0.3
69.03452	4.2
69.92393	0.2
70.34232	0.2
71.01387	0.5
71.19806	0.5
79.01884	2.1
81.03454	2.2
83.01385	0.6
95.01418	1.4
97.02950	3.5
99.00905	0.3
107.01398	0.9
123.00871	0.5
124.01662	1.1
125.02443	100.0
126.02779	2.1
151.00322	0.6
169.01416	37.9
170.01747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23151	0.3
55.01879	0.7
57.03449	1.1
65.00321	0.5
67.01894	0.5
68.99818	1.8
69.03449	4.3
70.02998	0.4
71.01392	1.3
71.51575	0.5
74.80835	0.3
78.95911	0.9
79.01892	2.2
81.03457	6.2
83.01392	2.4
85.02962	1.4
87.98189	0.3
95.01402	1.5
96.96966	0.6
97.02953	4.9
99.00881	5.0
107.01387	2.4
110.00089	0.5
113.02442	1.5
113.32079	0.3
123.00888	0.5
124.01691	1.7
125.02449	100.0
125.99580	1.0
126.02785	2.2
128.03496	0.5
137.99559	0.5
150.97122	0.4
151.00366	6.6
165.56100	0.3
169.01418	50.0
170.01772	1.1
178.10167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
67.01882	0.6
69.03453	4.4
70.36309	0.9
79.01898	1.8
81.03449	1.9
83.01373	0.5
95.01395	1.1
97.02945	3.5
98.41912	0.3
107.01380	0.9
108.02205	0.2
116.82344	0.3
123.00826	0.4
124.01618	1.2
125.02442	100.0
126.02775	2.1
151.00343	0.5
157.40891	0.2
169.01413	33.0
170.01723	0.6
185.18600	0.2
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
53.80821	0.3
59.01405	0.4
60.31547	0.3
65.00317	0.8
67.01875	0.6
69.03455	5.3
69.68947	2.1
80.03497	0.3
81.03455	100.0
82.03796	1.6
83.01383	8.9
96.39587	0.3
96.99302	0.7
97.02948	7.2
107.01388	0.8
113.02482	0.5
123.00861	0.8
124.98824	0.9
125.02445	26.4
125.99574	0.4
127.00351	1.4
151.00343	1.2
152.98297	1.6
153.99129	0.6
169.01419	43.0
169.08679	0.4
170.01747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
65.00317	1.6
69.03455	2.3
70.37651	0.4
70.82894	0.9
76.62585	0.4
81.03452	100.0
82.03796	2.0
83.01388	12.0
85.02961	0.5
96.99300	0.6
97.02946	9.3
104.40316	0.4
107.01393	0.9
108.02168	1.3
113.02423	0.4
120.20596	0.4
123.08172	0.9
125.02448	34.1
125.06059	0.5
125.09708	0.5
126.02718	0.6
127.07644	0.8
141.09178	0.9
151.00410	2.1
151.07616	1.4
152.98265	0.8
153.99110	0.5
169.01418	70.6
170.01779	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	167.0349
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
52.58665	0.8
57.03431	1.3
59.01371	2.3
70.23298	2.1
70.23688	1.8
81.03452	17.7
83.01390	6.2
95.05023	2.0
96.58272	0.8
99.04508	0.9
107.01389	1.0
108.02139	1.0
115.84203	0.7
117.05663	0.9
123.04517	100.0
124.04839	2.8
125.02450	8.3
126.02738	0.7
151.00362	2.8
154.12187	0.7
156.05974	0.7
167.03487	95.4
168.03839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0666
Annotation	ATF-606
Peak:m/z	Relative Intensity
55.01873	1.7
57.03444	1.9
59.01378	1.4
62.71039	0.8
65.00311	1.9
66.03476	2.8
67.01893	1.0
68.01366	1.1
69.03452	28.6
70.02972	1.3
71.01369	2.7
71.51283	1.7
72.04542	4.8
78.03489	1.7
78.95895	2.6
79.01913	1.8
80.96503	1.2
81.02229	0.9
81.03439	5.0
82.02988	5.2
83.01390	8.7
84.01717	1.6
84.04543	5.2
94.02955	1.5
95.01379	3.7
96.01725	1.7
96.04549	100.0
97.02942	7.4
98.02538	0.9
99.00871	1.4
101.07193	3.8
106.06607	3.5
107.01395	5.6
108.02190	1.5
108.04517	2.7
109.02505	2.6
122.06129	5.2
123.00891	5.3
124.01634	3.9
124.04027	2.5
124.04858	4.4
124.07677	64.3
125.02443	93.7
125.99595	1.4
138.09227	1.4
140.10840	2.7
141.01956	1.0
149.99638	1.3
150.05606	1.3
150.97096	1.0
151.00371	19.9
152.01234	1.1
153.00604	3.5
153.01529	4.2
153.99129	1.3
168.00664	2.7
168.02666	1.2
168.03830	3.8
168.06645	33.7
168.10287	2.7
169.01413	56.2
169.13429	6.2
171.14787	1.0
173.65848	1.0
178.64220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	100.0
58.43245	0.3
59.01390	0.3
59.03306	0.5
66.03480	0.5
68.99820	0.8
69.03451	0.4
70.02975	0.3
70.60349	0.5
76.96615	0.2
80.07963	0.2
81.03463	0.7
82.95392	0.6
83.01390	0.4
91.77510	0.3
97.02959	0.7
99.00897	0.3
107.05026	0.2
108.04585	0.3
122.89393	1.1
123.00964	0.3
124.04008	0.5
124.04845	0.3
125.02451	6.6
125.09747	0.3
132.86789	0.3
151.00354	0.3
151.11267	0.6
153.00499	0.3
153.01543	0.4
168.03957	0.4
168.13911	11.2
168.83594	1.4
168.98907	0.9
169.01398	3.1
169.04961	0.3
169.12260	0.3
169.14243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
53.50367	0.5
57.03437	1.7
59.01369	2.1
65.00315	2.7
70.79819	0.6
71.14809	0.5
80.02653	0.9
80.31818	0.5
81.03455	23.9
83.01391	12.8
95.05003	3.5
98.20877	0.5
99.04517	0.7
107.01369	3.5
108.02174	1.9
123.04520	100.0
124.04820	2.9
125.02442	9.1
149.02431	0.7
151.00374	6.4
152.01132	2.6
167.03488	92.1
168.03806	2.2
172.50125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
55.01882	1.5
57.03452	2.1
58.52540	0.8
59.01377	11.6
60.99299	1.8
68.97082	0.8
70.36291	3.0
71.01392	5.5
72.99313	8.3
73.02919	1.3
74.14367	0.9
75.00872	100.0
78.53702	0.8
85.02964	2.7
87.00877	46.5
88.98807	8.2
89.02440	4.1
92.93292	1.9
97.01865	0.8
99.00875	10.9
101.02441	3.2
105.01936	38.1
117.01926	2.0
129.01942	17.3
135.02986	1.5
135.33553	0.8
147.03006	8.0
165.04036	73.9
166.04375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
71.29664	1.1
72.99304	30.5
75.00864	1.6
77.03970	0.8
82.95110	0.5
84.43445	0.6
87.00850	0.8
91.05529	1.4
93.03448	1.0
101.03960	2.2
103.05534	4.7
117.03434	1.1
119.05023	35.0
119.83313	0.5
120.05372	0.7
121.02945	14.2
122.03772	1.0
123.04430	0.7
129.01933	0.5
129.49243	0.5
135.04445	0.7
136.97810	0.5
137.02475	1.1
137.09677	0.6
147.04510	100.0
148.04869	3.7
150.03247	1.3
165.01892	2.8
165.05563	37.6
165.09177	2.9
166.05952	0.7
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
69.94422	3.2
69.94762	0.9
72.00908	41.4
73.09405	0.7
75.35252	0.7
91.05542	2.8
103.05537	10.2
118.27857	0.8
119.04998	1.8
147.04514	100.0
148.04861	3.5
164.07152	57.2
165.07523	1.8
182.23216	0.7
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
53.29499	0.3
70.77039	0.7
75.00864	1.7
77.03966	2.7
83.01402	0.4
87.00873	0.8
89.02469	0.3
93.03461	2.3
97.02979	0.4
98.01961	0.3
108.02161	0.5
109.02994	0.5
121.02955	100.0
122.03272	1.9
123.04562	0.5
135.04515	0.5
135.91394	0.3
137.02440	3.7
147.04538	0.5
149.00975	0.4
150.03238	1.1
164.89432	0.5
165.01926	13.4
165.04123	1.0
165.05563	1.3
166.02304	0.4
170.55153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
56.53576	1.4
61.58644	1.2
61.98829	18.0
69.66282	3.9
69.66689	2.9
91.01877	1.2
93.03436	1.6
98.20681	1.3
98.82257	1.2
116.92093	11.3
117.91932	2.7
118.99272	24.2
119.01336	1.3
119.05025	81.8
120.05321	2.8
131.26572	1.4
135.00900	2.3
139.41614	1.4
162.89267	1.5
163.00403	6.7
163.03986	7.5
163.06172	2.3
163.11288	100.0
164.11674	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
61.29395	0.6
69.27480	2.0
69.27911	2.4
72.00904	36.2
72.90896	0.5
73.01200	0.7
75.00883	0.8
77.03944	0.8
78.18952	0.6
91.05547	2.4
93.03455	1.1
103.05524	4.4
119.05025	3.5
120.04562	1.3
120.05349	10.3
121.02950	17.8
126.10925	0.6
137.02448	1.6
146.06042	0.6
147.04517	100.0
148.04863	3.9
162.01610	0.6
164.07159	52.9
165.01889	2.3
165.04076	1.4
165.05498	1.1
165.07497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0611
Annotation	d-rhamnofuranose
Peak:m/z	Relative Intensity
55.01872	7.0
58.99593	0.9
59.01374	4.5
60.99291	1.2
61.98814	4.2
70.19652	4.4
71.01381	14.3
72.99294	2.6
73.02944	31.3
75.00860	5.6
81.03448	1.8
83.01402	2.5
83.04994	1.3
85.02927	1.1
87.00861	1.3
87.04510	16.6
87.05008	1.5
88.98792	6.3
89.02453	1.4
90.93587	1.2
91.05531	1.6
99.00869	14.3
99.04506	5.2
101.02438	26.5
101.06133	1.0
103.00379	2.1
115.04036	1.3
117.01940	2.3
117.05563	5.1
119.03497	95.6
119.04965	31.7
120.03857	1.3
145.05043	11.8
145.89099	1.2
147.04460	1.4
148.32343	1.0
162.89348	20.2
163.03929	3.3
163.06111	100.0
164.06444	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	4-Coumaric acid
Peak:m/z	Relative Intensity
55.17358	0.8
63.28595	0.9
64.38796	0.9
69.80726	2.1
69.81123	3.1
91.05533	100.0
92.05861	2.6
95.01185	0.9
98.19952	1.2
109.70022	0.9
119.05031	31.3
120.05321	1.3
135.04509	7.1
163.04047	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.15393	0.2
58.93122	0.2
65.88259	0.2
69.64362	0.4
69.64757	0.6
72.44390	0.2
74.76015	0.2
91.01894	0.2
91.05527	0.2
93.03461	0.8
98.19989	0.4
119.05020	100.0
120.04528	0.4
120.05332	2.4
152.94450	0.2
163.00311	0.3
163.04002	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	161.0241
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03448	2.1
58.00612	0.3
59.01376	8.7
69.03455	0.6
69.85464	1.6
71.01380	7.1
72.99310	1.0
73.02942	6.2
75.00873	1.1
77.03983	1.1
77.22337	0.3
81.03462	1.2
83.01399	1.8
85.02948	9.6
87.00878	1.3
87.04554	0.4
89.02441	2.6
89.03976	0.8
95.05000	0.5
97.02959	0.7
98.19959	0.4
99.00903	0.4
101.02435	1.8
101.98305	0.4
105.03438	2.3
113.02473	2.1
115.01922	0.8
115.92033	0.7
117.03440	0.9
125.02440	1.0
126.37171	0.3
131.03502	4.6
132.02171	8.9
133.02954	100.0
134.03264	2.9
160.01688	0.6
160.89375	0.5
161.02438	77.1
161.04384	5.1
162.02873	2.0
177.90689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19003	0.2
51.73682	0.2
56.46352	0.2
58.52862	0.2
59.01390	0.4
59.20345	0.2
91.01855	0.2
91.05525	0.8
93.03452	1.4
98.19771	0.3
102.98584	0.4
113.14340	0.2
119.05022	100.0
120.05342	2.1
135.04503	0.4
162.89220	0.3
163.00363	0.5
163.04002	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	163.0401
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
55.32552	0.9
59.01355	2.1
61.98835	1.1
62.18192	0.9
69.77495	2.1
69.77870	3.7
69.89654	0.9
78.87804	1.0
91.05528	100.0
92.05871	1.3
93.03447	2.3
95.49988	1.0
97.73413	1.0
119.05022	78.7
120.05374	2.1
131.10347	0.9
135.04520	10.4
135.05553	1.3
135.92586	0.9
159.72046	0.9
162.89265	1.2
163.00380	1.9
163.04012	12.0
163.07658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	D-Alanyl-(R)-lactate
Peak:m/z	Relative Intensity
55.01883	0.6
57.03446	4.1
58.00596	0.9
58.02979	10.0
59.01107	0.8
59.01384	9.5
66.23345	0.6
68.05042	0.8
70.02978	13.6
71.01374	8.2
71.05022	1.7
71.50144	1.1
72.00932	0.6
72.04541	4.3
72.99303	1.0
73.02953	4.6
73.86951	0.5
73.98225	0.5
74.02472	100.0
75.02820	0.6
81.03442	0.7
82.77567	0.6
83.01407	0.9
84.04546	12.0
85.02943	5.0
86.06112	2.0
87.00875	3.2
88.04038	43.0
89.02427	2.5
98.02473	28.6
98.06126	9.0
99.00882	1.0
99.02768	0.6
101.02440	1.6
101.59607	0.6
103.92039	1.0
112.04044	1.6
113.02447	1.5
114.05617	4.0
116.03538	26.3
118.05087	4.9
130.05103	12.0
130.79770	0.6
131.03468	2.0
138.25829	0.6
142.05087	1.5
159.89371	1.4
160.04884	1.2
160.06154	20.7
160.89285	1.1
161.02505	0.7
161.04541	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	157.0505
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03444	1.2
59.01377	4.4
67.05531	0.5
68.99823	0.7
69.03445	1.5
71.01366	3.0
71.52105	0.5
71.52498	0.4
72.99312	0.5
83.01382	1.1
83.05013	0.4
84.99308	4.9
85.02947	1.2
85.06583	1.1
87.00863	1.5
93.80257	0.4
95.05013	1.2
96.04584	0.4
96.99320	0.4
97.42632	0.4
99.00856	2.2
99.04490	0.4
109.06612	0.4
111.00863	0.8
111.08131	0.7
113.06084	100.0
113.09718	1.3
114.06422	2.4
115.00368	1.5
127.00373	9.7
128.00667	0.4
128.98329	1.0
130.06601	0.6
139.00316	0.7
139.07643	0.9
149.76732	0.4
156.89511	1.9
157.01402	1.7
157.05060	12.3
157.08688	7.4
157.12321	3.2
158.03656	1.0
158.06114	0.5
158.08128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	Botrytinone
Peak:m/z	Relative Intensity
52.60782	0.3
56.41209	0.3
56.45515	0.3
57.03426	0.6
57.45241	0.3
59.01376	5.7
67.01884	0.5
68.99819	1.9
69.03455	100.0
69.41239	0.3
70.02991	0.3
70.03788	1.8
71.01389	0.8
72.99317	1.5
75.00862	0.7
80.02668	1.9
83.01407	0.5
83.04992	0.4
84.04575	0.3
85.02946	0.7
86.02468	0.3
86.06110	2.1
88.66145	0.3
94.02982	0.3
95.05015	3.0
95.56315	0.3
96.04552	7.9
96.99324	0.8
97.02954	0.5
99.00903	0.8
111.00871	0.5
112.04039	2.2
113.02451	22.3
113.06098	1.2
114.02776	0.4
114.05615	1.0
115.05949	0.4
124.98829	0.5
127.00371	1.5
139.03999	2.4
157.01427	1.2
157.05060	0.8
158.04602	1.1
163.73840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92560	0.2
57.03454	0.5
59.01378	13.4
63.71973	0.2
68.71067	0.2
68.99819	0.8
69.03454	100.0
70.03777	2.0
71.01381	1.8
71.50865	0.4
72.99310	0.7
79.07738	0.2
80.02669	1.2
83.01399	0.4
83.05003	0.2
84.99311	1.1
85.02965	1.2
87.00895	0.7
92.64930	0.3
95.01354	0.2
95.05027	3.7
96.04549	3.5
96.53757	0.2
96.99326	0.3
97.02960	0.2
98.00053	0.4
99.00883	1.2
111.00867	0.5
111.08161	0.2
112.04082	0.3
113.02446	7.9
113.06095	1.0
114.05615	0.7
115.00387	0.5
115.05967	0.9
116.07152	0.3
122.65269	0.2
124.98827	0.8
127.00362	5.0
129.34467	0.2
139.00403	0.3
139.04002	2.1
139.07678	0.4
156.89493	1.5
157.01428	0.9
157.05070	1.4
157.07706	5.1
157.08752	2.0
157.12274	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	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
51.29714	0.8
55.01875	100.0
56.02216	1.6
59.01377	1.4
60.20287	1.0
65.00320	1.3
67.01877	3.2
67.96463	0.8
68.99827	1.5
70.70512	2.5
71.01384	14.8
75.89784	0.9
78.95897	3.8
81.03453	1.6
83.01379	66.2
83.05037	4.8
85.02953	1.2
86.80615	1.0
93.03452	30.2
99.00875	3.3
99.20482	1.0
111.00877	7.5
111.01985	9.7
111.02692	1.5
111.04507	11.0
113.02412	1.5
114.05594	18.1
127.00343	13.3
137.02434	5.3
140.01155	1.0
140.18964	0.9
154.97539	3.8
154.99849	82.6
155.03441	5.3
156.00197	3.0
156.06628	1.8
165.90715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.9
69.97025	0.5
69.97429	0.3
71.01351	0.1
74.66930	0.2
79.20800	0.1
80.24568	0.1
95.38058	0.2
96.40192	0.1
102.46815	0.2
127.00372	0.3
142.26994	0.2
157.08604	0.2
177.06232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	Botrytinone
Peak:m/z	Relative Intensity
57.03466	0.3
59.01380	9.0
68.99831	0.6
69.03455	100.0
70.03786	1.8
71.01376	0.4
71.07240	0.2
72.99309	1.5
73.91416	0.2
75.00876	0.9
80.02678	1.6
85.02950	0.3
86.06116	0.4
95.05019	2.1
96.04572	0.5
112.04053	0.4
113.02449	28.0
113.06054	1.0
114.02807	0.5
125.65476	0.2
127.00381	0.6
139.03998	3.4
156.89456	0.3
157.01453	0.4
157.05016	0.6
157.08701	0.5
157.12347	0.5
159.94708	0.2
161.14259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
50.22717	0.6
50.71138	0.6
55.01879	0.9
59.02122	0.6
61.98804	1.3
65.00326	7.2
65.03960	0.9
66.03481	3.8
67.01898	1.1
67.03822	1.3
68.99831	1.1
69.03450	1.4
70.56915	1.4
71.01362	1.1
71.05019	0.9
72.99274	0.8
80.96490	1.0
81.03467	5.9
82.02968	2.3
83.01377	7.1
85.02930	0.9
92.05081	0.7
93.03436	1.1
97.02964	0.9
97.06581	14.7
99.08166	4.7
99.08711	0.9
107.01375	1.2
107.05016	1.6
108.02171	100.0
109.02965	50.1
109.06583	1.6
110.00095	7.7
110.02453	0.7
110.03283	2.1
111.00898	1.1
111.04508	0.7
111.08188	0.7
120.83623	0.7
122.03734	1.3
123.00948	0.8
123.04527	17.6
124.04063	3.8
124.04840	1.4
125.02462	5.8
125.09753	0.7
135.04555	4.5
136.04034	0.7
136.98820	2.8
137.09689	1.5
137.99585	10.2
151.00365	1.9
151.11256	1.1
153.01935	34.3
153.05544	4.8
153.12845	52.2
153.86865	47.5
154.01263	1.0
154.02296	2.3
154.05087	2.5
154.13161	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
55.78368	2.0
57.03444	23.9
59.01384	11.5
61.46306	1.8
68.87255	1.8
71.01380	15.6
71.05016	27.5
71.26073	2.4
73.02942	13.9
75.00867	2.7
83.05015	8.1
85.02947	100.0
87.00872	11.9
99.00877	7.3
99.04524	4.5
101.02439	43.7
101.06075	41.7
101.25695	2.0
103.04024	21.0
103.05940	5.0
110.23986	2.0
129.01962	3.4
129.03949	2.3
135.97099	1.9
146.92200	2.1
147.02985	5.6
147.06628	99.5
148.06978	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	149.0455
Annotation	D-Lyxose
Peak:m/z	Relative Intensity
57.03432	2.1
59.01378	36.0
69.03458	6.2
69.24366	9.4
69.24789	5.0
71.01379	31.3
71.01778	2.0
72.99310	10.5
73.02942	28.8
75.00867	58.8
77.53461	1.4
77.55772	1.5
83.01392	1.9
85.02964	6.3
87.00871	15.0
87.84964	1.5
88.32446	1.5
89.02442	100.0
89.23138	1.5
96.29885	1.7
101.02424	2.2
103.04022	10.7
112.35034	1.5
114.96265	1.5
131.03496	21.3
140.28262	1.6
149.01042	1.9
149.04552	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
59.01376	26.4
69.03462	3.6
69.35737	11.2
71.01382	30.7
72.99293	9.6
73.02943	31.2
75.00868	32.4
76.39262	1.8
85.02943	3.9
87.00871	13.5
89.02444	100.0
98.20606	2.5
103.03996	10.8
131.03510	12.8
149.02635	2.5
149.04549	66.3
150.04813	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	149.0455
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01373	11.8
62.59791	1.0
69.03446	2.5
71.01378	32.6
71.40044	1.5
71.58715	1.1
72.99297	2.4
73.02949	24.5
75.00864	7.0
87.00878	11.8
89.02438	100.0
101.02462	1.6
103.04004	12.9
131.03500	4.8
145.39857	1.3
149.04550	57.1
157.94542	1.2
164.54572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0765
Annotation	3-propylbenzene-1,2-diol
Peak:m/z	Relative Intensity
52.53422	0.6
55.01878	1.1
59.01377	6.7
63.02395	2.2
63.15211	0.7
65.00327	1.3
66.03481	9.4
67.01884	1.2
68.99818	4.6
69.03444	3.1
70.71765	2.3
71.01384	14.5
72.99271	0.8
73.02950	2.7
74.36432	0.6
74.79927	0.7
75.66430	0.6
76.46516	0.7
77.40125	0.6
78.98592	0.7
79.01900	0.8
80.02683	1.2
81.03455	1.7
83.01406	1.9
85.02954	1.6
89.02449	7.5
90.82804	0.8
93.03461	7.1
95.01398	1.4
95.05028	2.5
97.06582	1.7
101.02426	8.1
105.07098	14.1
107.01378	3.0
107.05029	9.5
108.02173	9.9
108.04552	2.8
109.02962	1.7
117.01949	1.5
121.02959	27.7
121.06589	2.6
122.03796	4.8
123.00874	2.7
123.04522	14.4
123.08162	5.9
124.04874	0.8
126.77364	0.7
133.06599	10.5
134.03735	0.9
135.04535	6.0
136.01662	48.1
136.05299	31.8
137.02005	2.6
137.05646	1.4
149.06046	0.7
151.00433	2.3
151.02733	1.5
151.04010	29.3
151.06212	3.9
151.07642	100.0
151.87392	4.7
152.03490	4.1
152.08075	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	152.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70967	0.1
62.89256	0.1
63.02402	0.2
65.00323	100.0
66.00659	2.3
67.01891	0.2
69.63625	0.1
73.64173	0.1
81.03452	1.7
83.01388	5.1
91.36232	0.1
98.20661	0.3
101.24482	0.1
107.01373	0.3
108.02177	3.7
108.99332	0.5
109.02956	2.7
110.00112	0.4
111.00877	1.2
123.04539	0.7
125.02469	0.7
129.95482	0.1
135.00867	1.0
135.04475	0.2
136.98807	3.3
137.99585	0.6
151.00345	0.4
153.01927	8.8
154.02295	0.2
171.29945	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	153.0193
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
54.37114	0.8
55.08403	0.7
63.02390	3.3
64.34253	0.6
65.00323	98.1
66.00652	2.3
66.47984	0.6
67.01879	1.3
68.99763	0.9
70.31299	1.6
70.31667	1.6
73.86732	0.9
75.54947	0.7
81.03452	22.7
83.01385	80.3
84.01683	1.0
98.20554	0.9
107.01380	2.6
108.02163	1.8
108.99335	5.1
109.02954	8.9
111.00878	19.3
135.00876	15.6
136.98798	58.2
137.99197	1.3
150.45279	0.9
151.00339	1.1
153.01927	100.0
154.02306	3.6
159.26988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
63.02390	2.2
65.00323	100.0
66.00661	1.4
67.01885	1.0
76.14338	0.5
81.03452	20.4
82.25002	0.5
83.01384	64.9
84.01734	1.1
98.19857	1.1
107.01388	1.6
108.02184	2.0
108.99306	3.8
109.02930	2.8
109.36008	0.5
111.00876	15.3
111.01658	0.8
123.04527	0.5
125.02426	0.9
134.99916	1.0
135.00883	12.7
136.98801	52.6
137.99127	0.9
153.01929	63.0
154.02252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
57.03452	5.1
58.40960	0.6
58.93536	0.6
59.71613	0.6
63.02391	2.5
65.00322	17.3
67.01884	2.7
68.99814	7.9
69.55973	4.6
81.03459	5.2
83.01383	40.4
84.01687	0.9
85.02946	3.7
91.01886	0.6
94.42340	0.6
97.42799	0.7
107.01389	14.4
108.02174	15.4
109.02949	35.4
110.00084	0.9
110.03314	1.4
111.00878	3.0
123.04540	1.9
125.02447	13.8
135.00876	0.8
135.04546	1.1
136.98816	3.6
137.99565	2.0
151.00359	52.3
152.00726	1.3
153.01927	100.0
154.02292	3.4
163.85326	0.6
169.99750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.48201	1.9
57.03448	25.8
59.01369	8.3
69.36717	13.8
71.01372	4.7
71.05029	30.2
72.99306	2.4
73.02937	6.3
83.05028	4.2
85.02946	100.0
87.00875	76.0
101.02435	34.7
101.06084	17.0
103.04005	17.9
103.05962	3.1
121.47475	1.7
126.98109	1.8
129.01941	13.7
147.02997	33.6
147.06631	56.9
165.35246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.29937	3.1
54.35178	2.8
55.01885	3.7
57.03445	8.7
59.01378	47.5
61.02163	2.8
61.98831	100.0
68.99806	3.6
70.90021	7.5
71.01377	68.2
71.05020	6.7
72.99286	3.1
75.00858	18.7
83.01350	6.2
84.99310	36.2
85.02943	20.9
87.00886	8.5
89.02428	7.1
92.40805	3.2
99.00883	34.7
101.02454	17.2
102.42165	3.1
103.04004	3.6
103.05483	5.1
119.05014	12.0
128.98297	8.8
129.01967	8.0
146.99377	3.5
147.01974	5.6
147.03008	12.0
147.04506	81.8
147.06630	11.8
148.04903	5.2
158.66339	3.0
163.63678	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01879	3.4
57.03435	8.1
59.01379	28.0
61.98830	100.0
64.91128	2.1
71.01382	44.8
71.52534	3.8
72.99301	5.0
73.02955	4.1
75.00874	13.5
76.65108	2.8
81.95778	2.3
83.01385	5.7
84.99311	27.9
85.02943	14.3
85.09245	2.7
87.00874	5.1
89.02438	4.5
99.00898	25.1
101.02435	8.8
101.06090	4.0
103.05528	7.3
110.19418	2.4
119.05024	8.7
128.98253	6.2
129.01947	4.7
146.99414	4.6
147.01950	4.0
147.03001	7.0
147.04495	67.1
147.06601	9.2
148.04929	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	146.0459
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
58.97283	0.7
59.01382	6.3
61.98824	2.1
69.63765	0.7
71.01375	10.7
71.51722	0.9
72.21578	0.7
74.02473	1.6
75.00875	2.7
78.72483	0.8
84.01737	0.9
84.04533	1.1
84.99312	2.0
85.02952	3.3
87.00896	0.8
89.02451	1.4
99.00867	4.6
101.02440	1.9
102.05605	100.0
103.05945	3.1
105.44802	0.7
118.02964	1.5
128.03540	40.0
129.01913	0.9
129.03871	1.4
146.02521	8.1
146.04579	20.0
147.03017	1.4
147.04555	2.5
147.06592	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	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
55.01873	9.3
57.03442	6.2
59.01374	42.3
61.98830	61.8
68.99812	4.9
71.01380	100.0
71.21340	5.6
72.99280	7.6
75.00866	19.4
84.99330	3.9
85.02959	18.0
87.00880	6.2
89.02435	6.4
92.95974	5.3
99.00874	38.8
101.02448	16.8
101.06065	3.5
103.04009	4.2
119.05003	4.6
129.01947	7.6
147.01938	6.2
147.02927	11.5
147.04501	26.6
147.06624	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	147.03
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
57.03451	20.6
58.62750	1.6
59.01377	8.8
70.88862	2.7
71.01392	2.1
85.02951	70.6
86.03259	1.6
87.00874	100.0
88.01190	2.0
88.74568	1.4
91.95412	1.5
101.02422	5.3
103.04002	10.4
129.01958	17.6
147.01839	2.6
147.02979	39.0
147.06641	2.1
148.03323	1.8
155.20949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03442	7.0
59.01383	32.3
69.29770	43.6
71.01385	47.1
72.99293	4.6
75.00874	6.4
82.42403	4.2
84.99311	7.9
85.02941	14.2
85.60040	4.5
98.19913	7.0
99.00890	25.5
101.02434	5.7
103.05521	16.9
103.06165	4.9
119.05016	15.5
121.02796	4.7
147.03296	8.4
147.04509	100.0
147.06580	8.7
148.04852	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	145.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10513	1.0
64.55032	0.9
69.28847	8.3
71.61372	0.8
83.01385	25.3
87.92768	0.9
98.19886	1.8
102.05563	1.1
117.03464	100.0
118.03799	3.7
145.02951	65.3
146.03346	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
53.43688	1.4
58.65972	1.2
75.70084	1.4
83.01387	13.2
83.05022	2.6
98.20674	2.1
99.08155	100.0
100.08478	3.9
121.61703	1.1
127.07653	2.1
145.08707	53.6
146.02428	1.5
161.05569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
66.05181	0.7
71.20097	1.3
85.02960	1.0
102.05607	100.0
103.05946	1.6
128.03532	42.9
129.03883	2.1
146.04590	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45135	0.9
56.41384	0.9
57.03435	5.5
59.01363	3.1
63.23722	0.9
63.40586	0.8
63.52788	0.9
69.55725	3.1
69.56147	2.3
71.01373	1.5
71.12252	0.8
72.00907	1.7
74.02464	2.9
84.04559	1.5
85.02946	21.0
87.00877	22.5
99.00858	1.0
100.48753	0.9
101.02427	2.7
101.06081	2.6
102.05603	100.0
103.04005	3.3
103.05927	2.4
128.03535	43.8
129.01924	5.5
146.04573	24.5
146.08267	0.9
147.02992	10.3
147.06639	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	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01873	4.9
57.03431	3.9
59.01370	15.9
69.97958	3.2
70.11777	8.8
70.57018	3.0
71.01381	100.0
72.00929	4.7
72.99292	6.2
73.02958	4.2
74.02461	6.7
74.21253	2.9
83.01385	6.7
87.00877	48.4
88.41767	3.1
95.55461	3.8
99.00849	5.0
101.02432	15.7
102.05598	27.0
115.00372	48.5
127.00367	12.4
127.05117	5.3
128.03517	13.2
144.96472	19.9
145.01443	36.2
145.06137	3.4
146.04572	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
57.03431	3.9
59.01370	15.9
69.97958	3.2
70.11777	8.8
70.57018	3.0
71.01381	100.0
72.00929	4.7
72.99292	6.2
73.02958	4.2
74.02461	6.7
74.21253	2.9
83.01385	6.7
87.00877	48.4
88.41767	3.1
95.55461	3.8
99.00849	5.0
101.02432	15.7
102.05598	27.0
115.00372	48.5
127.00367	12.4
127.05117	5.3
128.03517	13.2
144.96472	19.9
145.01443	36.2
145.06137	3.4
146.04572	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	145.0294
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.53344	0.7
51.89692	0.8
52.22483	0.7
69.26871	1.0
69.27273	6.1
83.01375	1.6
89.03931	0.8
101.06203	0.8
110.21716	0.7
110.33928	0.7
117.03463	100.0
118.03786	4.7
123.24469	0.8
145.02951	62.1
146.03278	2.7
155.40782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	13.5
57.21824	2.5
59.01369	3.6
65.87494	2.2
66.76859	2.1
69.24960	2.4
69.36839	2.1
70.99232	3.4
71.01373	36.5
80.99802	4.0
82.02997	2.7
85.02953	3.8
87.00865	8.9
87.92529	24.5
89.06060	2.4
96.99302	16.1
99.04507	3.2
103.92010	8.8
112.98808	22.1
115.00369	5.1
124.98804	54.4
140.98312	10.6
142.99852	100.0
144.00203	3.1
144.06645	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	15.2
59.01379	3.7
62.01344	2.0
68.99833	4.1
70.90250	5.1
71.01379	35.7
72.99329	3.0
75.53706	2.2
80.99816	8.7
83.01389	2.3
87.00874	8.7
96.99311	16.7
97.40174	2.1
112.98792	26.8
115.00375	6.5
124.98806	52.0
125.99143	4.3
140.98294	7.7
141.32956	2.2
141.65179	2.0
142.99861	100.0
144.00304	2.6
144.06680	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	145.0142
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
50.13685	2.0
55.01873	6.6
55.59190	1.9
57.03438	5.7
57.60392	2.2
57.73341	2.1
58.02972	4.4
59.01376	8.2
70.33415	3.3
70.33755	3.7
71.01382	65.8
72.00881	2.2
72.99313	4.1
73.02943	5.3
74.02459	9.4
82.02969	2.4
83.01383	6.3
84.04554	10.5
87.00875	24.2
96.76815	2.1
99.00887	3.4
101.02436	27.7
101.07191	2.2
102.05606	100.0
103.38896	2.0
106.55708	2.1
107.02470	3.0
109.04070	5.8
112.43414	2.2
114.02883	2.0
115.00372	34.4
125.03543	2.3
127.00332	3.3
127.05118	19.2
128.03535	56.4
136.47176	1.9
145.01433	21.2
145.06120	14.5
146.04587	18.0
153.14340	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	137.0244
Annotation	Sesamol
Peak:m/z	Relative Intensity
54.37328	0.8
59.21410	0.8
65.00337	0.9
65.03970	1.3
68.99778	0.8
69.03454	18.4
69.74957	2.4
69.75368	1.8
75.64769	0.8
83.01384	61.7
84.01710	2.1
85.79095	0.7
93.03459	27.4
98.20596	1.6
108.02168	0.9
108.74225	1.0
109.02949	25.0
115.46849	0.8
137.02441	100.0
138.02818	4.4
143.79604	1.0
156.58568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.85728	0.4
55.17251	0.4
59.01372	1.3
60.88808	0.4
71.01379	66.1
71.20309	0.7
72.01711	1.2
72.99303	17.6
77.89050	0.4
78.21411	0.4
87.00849	2.1
89.02441	8.0
115.00370	100.0
116.00685	2.6
123.22859	0.5
130.21309	0.5
133.01430	29.1
133.05045	0.8
134.01683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.75898	1.0
57.03441	0.9
57.57438	0.9
57.61674	1.0
59.01373	3.6
68.30093	1.1
69.70671	5.2
71.01379	100.0
72.01751	1.2
72.99303	18.0
77.03959	2.3
87.00877	23.3
87.04512	4.5
89.02437	12.4
89.03948	1.5
95.05009	1.8
105.03458	5.4
107.03661	1.9
115.00367	90.1
116.00684	2.5
132.02168	13.2
132.86778	1.4
132.90033	3.3
133.01462	23.3
133.02951	90.7
133.05057	33.1
133.06578	1.9
134.03337	3.6
134.04669	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	135.03
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60927	0.2
55.01878	0.3
56.43412	0.1
58.00590	0.4
59.01377	9.7
60.99304	0.2
69.66848	0.5
69.67255	0.3
71.01379	4.5
72.99304	16.5
73.02943	0.3
73.99640	0.2
75.00867	100.0
76.01202	1.5
87.00873	1.1
89.02439	9.2
95.95229	0.9
99.00864	0.5
107.05079	0.2
117.01121	0.2
117.01936	2.7
117.15228	0.1
134.03699	0.2
134.90593	0.2
134.91603	3.3
135.02989	32.1
135.04436	1.5
136.03337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
54.60927	0.2
55.01878	0.3
56.43412	0.1
58.00590	0.4
59.01377	9.7
60.99304	0.2
69.66848	0.5
69.67255	0.3
71.01379	4.5
72.99304	16.5
73.02943	0.3
73.99640	0.2
75.00867	100.0
76.01202	1.5
87.00873	1.1
89.02439	9.2
95.95229	0.9
99.00864	0.5
107.05079	0.2
117.01121	0.2
117.01936	2.7
117.15228	0.1
134.03699	0.2
134.90593	0.2
134.91603	3.3
135.02989	32.1
135.04436	1.5
136.03337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03444	8.5
59.26900	1.3
61.32925	1.2
67.01888	10.3
70.17219	2.6
70.17601	2.5
71.01365	2.1
80.43545	1.2
82.02982	4.4
83.01383	1.5
85.02943	25.7
97.03601	1.1
101.02437	1.6
102.81306	1.1
128.03531	100.0
128.07178	6.0
129.01942	6.9
129.03911	2.2
129.05589	8.4
144.03148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01863	4.3
57.03449	11.7
67.01888	20.6
68.99805	4.2
70.10797	6.1
71.01391	3.3
72.99304	2.1
73.02970	2.7
73.99426	1.3
83.01366	2.7
85.02941	35.1
87.00838	1.5
88.04039	5.6
101.02410	2.8
129.01945	12.9
129.03844	4.6
130.08733	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01873	16.9
57.03452	53.9
67.01885	100.0
67.78195	5.8
68.99805	15.3
70.63094	16.7
71.01376	13.9
72.99306	12.0
75.71636	5.3
78.37152	6.5
83.01368	13.7
85.02953	80.8
88.04041	28.7
101.02429	10.5
129.01933	59.5
129.03880	19.4
129.05528	31.1
130.08762	34.8
131.85413	5.1
133.33487	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35199	0.8
71.01350	1.0
71.34828	1.3
73.02946	2.5
88.04034	6.3
89.27396	0.8
130.08733	100.0
131.09085	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	132.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
59.29486	0.2
71.01376	64.8
71.50706	0.3
72.00909	0.7
72.99300	14.9
83.09664	0.2
87.00892	1.3
88.04034	23.5
89.02438	6.7
89.04366	0.5
94.55405	0.2
94.79507	0.2
100.78355	0.2
114.01957	1.0
115.00367	100.0
132.02026	0.2
132.03015	7.5
133.01425	25.9
140.95564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55746	3.4
57.03434	4.2
69.32548	9.9
69.32968	19.7
71.01372	7.8
72.94794	3.1
83.01385	9.9
83.05020	7.2
85.02969	17.4
88.77661	3.8
92.92566	3.1
97.51007	3.3
99.00873	8.0
109.02898	5.5
110.90845	5.6
126.90452	100.0
127.00356	33.1
127.04019	19.6
127.07636	56.3
128.03526	40.9
128.07173	55.2
133.60623	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	1192.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00913	0.1
84.04558	0.3
85.04087	0.3
86.02468	2.8
86.06108	0.4
86.99084	0.9
87.05634	1.6
88.04018	0.2
90.00209	0.6
95.02534	0.3
96.04549	0.1
97.04066	0.9
98.06091	0.1
99.05634	7.1
100.00418	0.2
101.07195	1.1
102.05600	1.4
107.06151	0.4
108.04560	0.2
109.04076	2.0
109.07688	0.3
110.02511	0.1
110.06078	0.2
111.05623	0.8
112.04053	0.8
113.03564	0.2
116.01756	0.8
120.01295	0.2
123.05628	0.7
124.04020	0.3
124.07636	0.2
125.03535	1.1
126.01936	0.3
126.04330	0.2
127.05136	1.5
127.08780	0.1
128.03531	21.5
129.03894	0.2
129.99672	0.3
130.05049	0.1
131.04605	0.3
135.05629	2.7
135.06567	0.2
137.07202	0.4
139.08740	0.1
141.06705	1.6
143.04610	27.7
144.01221	0.1
144.04929	0.5
145.06174	1.2
146.04588	2.5
149.07166	0.3
153.06671	2.2
155.08223	0.3
160.00723	8.9
161.01036	0.2
166.09827	1.3
167.04594	2.2
167.08212	1.4
170.03313	0.3
171.04039	0.6
171.07738	0.4
177.03368	2.8
179.04607	7.8
180.07750	0.2
181.06174	0.8
184.10878	0.3
185.05632	1.0
192.07742	0.8
197.05621	0.9
198.08852	0.2
209.11823	0.4
210.08813	7.0
211.09084	0.2
213.03386	0.3
228.09808	0.4
231.04343	0.2
236.06885	0.2
240.32556	0.1
242.07835	0.7
254.07803	8.2
255.08160	0.2
272.08853	14.1
273.09204	0.5
277.21597	0.3
288.06573	5.1
289.06995	0.2
304.06067	0.3
306.07617	100.0
307.07864	3.7
515.13916	0.1
577.76770	0.2
929.96661	0.1
1030.34082	0.1
1063.51990	0.2
1174.55493	0.8
1175.55640	0.2
1192.56799	13.2
1193.57361	3.7
1193.84106	0.2
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
59.01381	2.0
61.95034	1.1
63.02836	0.9
67.95553	0.9
70.81552	2.0
70.81876	1.1
71.01376	3.5
72.99323	1.6
73.02939	2.0
93.03458	3.0
101.02401	1.1
101.92390	1.0
117.03468	1.3
118.92662	6.5
119.05022	100.0
119.70551	1.1
120.05352	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	1192.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04570	0.4
85.04071	0.3
86.02473	2.2
86.06113	0.3
86.99091	0.7
87.05646	1.2
88.04073	0.2
90.00198	0.5
95.02497	0.3
96.04520	0.3
97.04092	1.0
97.29965	0.2
98.02451	0.2
99.05640	6.2
100.04036	0.2
101.07209	1.0
102.05608	0.9
107.06139	0.6
108.04523	0.2
109.04073	1.8
109.07692	0.3
110.06126	0.2
111.05648	0.7
112.04062	0.9
113.03569	0.3
115.62970	0.1
116.01760	0.6
120.01254	0.3
123.05672	0.8
124.04049	0.4
125.03573	0.8
126.01988	0.5
127.05109	1.2
128.03537	21.0
129.03883	0.4
129.99681	0.4
131.04675	0.2
134.96339	0.2
135.05641	2.5
137.07253	0.4
141.06694	1.3
143.04616	27.2
144.01143	0.2
144.04988	0.4
145.06184	1.3
146.04587	2.2
149.07187	0.2
153.06686	2.3
153.39334	0.1
155.08232	0.2
160.00725	7.1
166.09848	1.6
167.04599	2.3
167.08264	1.2
170.03299	0.4
171.04063	0.4
171.07730	0.3
177.03380	2.6
179.04613	6.7
180.05006	0.3
181.06140	0.8
184.10876	0.4
185.05605	1.0
189.42728	0.2
192.07838	0.6
197.05699	0.9
198.08827	0.2
209.11868	0.6
210.08823	6.8
211.09218	0.3
213.03362	0.3
228.09872	0.4
231.04437	0.3
236.06831	0.2
242.07852	0.7
254.07822	7.5
255.08206	0.2
272.08865	14.1
273.09183	0.3
277.21817	0.3
288.06570	4.9
289.06924	0.3
306.07632	100.0
307.07913	3.7
312.84714	0.2
397.13452	0.2
678.98547	0.2
1063.50586	0.2
1130.56555	0.2
1174.55908	0.9
1175.55115	0.2
1192.56836	13.4
1193.57227	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.42874	0.7
51.42326	0.7
52.23057	0.6
53.93638	0.6
57.18468	0.6
59.01382	1.6
71.01366	1.2
75.44264	0.6
86.88801	0.6
91.05519	0.8
93.03445	3.5
98.19914	1.2
101.92450	0.8
117.03454	0.8
118.92693	1.9
119.05023	100.0
120.05341	6.0
130.22627	0.7
131.24995	0.6
136.75899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.6181
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01372	0.6
83.05016	0.1
85.02951	0.3
87.00851	0.1
89.02430	0.1
91.15482	0.1
93.03460	0.2
95.01389	0.2
95.05006	0.1
97.02944	0.5
97.65676	0.1
99.00896	0.5
99.04440	0.1
101.02436	0.1
105.15977	0.1
107.05099	0.1
108.02178	0.1
109.02972	0.3
110.00104	0.3
111.00870	0.9
111.04522	0.2
113.02430	0.2
121.02939	0.7
123.00891	0.2
123.04477	0.1
125.02443	0.2
127.03973	0.1
129.01947	0.1
133.02931	0.1
134.03783	0.1
135.04529	0.4
136.98839	0.1
137.02444	2.6
137.99622	0.1
139.00380	1.1
139.04025	0.6
140.01183	0.4
141.01935	1.8
151.04013	0.5
153.01930	1.9
154.02567	0.2
155.03529	0.4
161.02409	0.1
163.03983	0.1
164.01122	0.1
165.01924	3.8
165.05562	0.1
165.99060	0.9
166.02628	0.2
166.99825	0.6
167.03513	0.3
167.43771	0.1
177.01953	0.3
179.03497	0.2
181.01418	3.1
181.04948	0.1
182.02203	47.9
183.02959	53.5
184.03307	1.4
186.01662	0.2
193.05075	0.2
194.02220	0.3
195.02974	1.8
204.94345	0.1
207.02977	0.4
207.04831	0.4
207.06926	0.1
219.02974	0.2
223.34836	0.1
225.04050	0.4
234.01662	0.1
235.02289	0.1
237.04002	0.1
251.91054	0.1
261.06110	0.3
303.07306	0.2
309.06311	0.1
327.07080	0.3
345.08228	100.0
346.08572	4.2
357.00873	0.1
361.92029	0.1
397.07675	0.1
507.11407	2.9
508.11844	0.2
566.45691	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
50.74946	4.4
60.41111	4.0
60.41812	3.8
62.39911	4.1
70.18227	13.8
71.01379	100.0
87.00866	8.9
98.58823	5.1
115.00374	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	115.0401
Annotation	Ethyl pyruvate
Peak:m/z	Relative Intensity
58.70833	8.7
59.01410	10.1
60.42696	9.1
70.35394	32.1
71.01379	100.0
71.05016	15.4
87.00896	11.3
87.04521	19.9
87.27256	9.6
113.69812	9.4
114.93426	32.5
115.00361	16.7
115.03998	87.2
115.05966	13.9
116.07177	41.2
119.40882	10.2
132.08795	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	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
60.31856	0.4
61.15258	0.4
70.46146	0.9
70.46507	0.8
73.02940	100.0
73.98994	0.4
74.02460	0.4
74.03272	2.5
99.00868	7.9
99.92616	0.4
115.40394	0.5
116.92860	1.5
117.01938	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01850	1.0
64.38788	0.4
69.64394	2.3
73.02943	100.0
74.03285	1.8
78.65747	0.4
99.00877	8.2
116.92865	1.2
117.01933	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	1145.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	2.5
85.02946	1.9
87.00888	0.2
89.03946	0.2
91.01893	0.2
91.81882	0.1
93.03465	1.4
95.01394	0.8
97.02932	0.3
99.00882	2.4
103.00363	1.0
107.01387	7.0
108.02201	0.5
109.02946	2.1
111.00883	0.5
113.02456	1.8
115.00372	0.5
117.03458	6.6
118.03795	0.3
119.01373	0.4
119.05029	4.0
120.05369	0.1
121.02956	5.4
123.00898	0.2
124.01674	0.3
125.02407	0.5
128.03568	0.2
131.04994	0.3
133.02962	0.3
133.06587	0.2
134.03789	0.7
135.00876	0.6
137.02441	0.5
139.04027	0.4
142.51604	0.1
143.04779	0.5
145.02948	23.3
146.03285	0.6
147.00848	0.3
147.04524	0.3
148.01691	0.6
149.02467	0.9
151.00362	27.7
152.00758	0.6
153.01924	1.0
157.01442	0.4
157.06564	0.3
159.03114	1.0
159.04309	1.0
160.00706	0.2
161.02406	0.7
161.06096	0.4
163.00368	2.6
163.03995	3.2
164.01155	0.5
165.01942	0.5
167.04951	0.2
169.01442	1.4
171.04456	0.5
173.06123	0.5
174.03053	0.2
175.00357	0.3
175.02455	2.1
175.03993	0.7
178.99849	13.1
180.00180	0.4
181.01402	1.0
182.02174	1.4
183.02957	0.9
183.04510	0.7
185.02499	0.2
185.06102	0.4
187.03999	1.0
189.05467	0.4
190.99902	0.3
191.03436	0.2
192.00670	0.4
193.01393	0.6
193.03279	0.2
196.00209	0.1
199.03978	1.0
201.01906	0.4
201.05536	1.0
203.03519	1.1
211.03955	1.5
212.04716	0.3
213.01877	0.4
214.02568	0.3
215.03490	0.9
216.04272	0.2
217.05087	0.2
219.06551	0.2
226.02707	0.7
227.03490	2.3
228.04179	0.4
229.05003	1.8
230.02251	0.2
235.02519	0.2
239.03415	0.4
240.04237	0.2
243.02959	4.4
244.03642	0.2
245.04524	1.9
254.02217	0.7
255.02965	14.1
256.03494	0.8
257.04425	0.8
266.02094	0.2
271.02454	25.5
272.02979	1.7
273.04041	2.0
283.02444	2.1
284.03186	0.2
285.03848	0.2
299.01971	5.6
299.05316	0.3
300.02725	41.5
301.03491	70.8
302.03873	3.3
306.07578	1.4
321.06094	4.7
325.03149	0.2
327.07202	0.7
339.07251	0.2
345.08142	1.3
459.05661	44.9
459.99869	0.3
460.06030	2.8
477.06601	1.4
491.12283	0.2
521.12848	1.6
591.99799	0.2
623.10339	100.0
624.10699	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
60.49442	0.5
68.99570	100.0
69.99905	0.8
71.01355	0.6
74.14428	0.5
85.02946	4.5
98.20666	1.2
103.61956	0.5
112.98555	4.3
113.02442	1.6
114.05596	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	1145.239
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03476	0.2
83.01386	2.6
85.02959	2.2
86.64793	0.2
87.00861	0.2
91.01928	0.2
93.03459	1.3
95.01399	0.9
97.02980	0.3
98.19925	0.4
99.00871	2.6
103.00381	1.0
103.46784	0.2
107.01388	7.5
108.02211	0.5
109.02945	2.4
111.00870	0.5
113.02438	2.2
115.00401	0.4
117.03458	0.6
119.01382	0.4
119.05059	0.2
121.02947	5.3
123.00893	0.2
124.01752	0.2
125.02422	0.6
127.08280	0.2
132.02150	2.2
133.01430	0.3
133.02975	0.4
134.03731	5.0
135.00883	0.6
135.04539	0.2
137.02444	0.6
139.00388	0.2
139.04022	0.5
141.01894	0.3
143.05023	0.4
145.02974	0.2
147.00838	0.3
147.04532	0.4
148.01703	0.5
149.02408	1.3
149.06033	0.8
151.00359	28.6
152.00743	0.4
153.01939	0.6
155.04977	0.2
157.01530	0.3
157.02910	0.3
157.06526	0.3
159.02975	0.7
159.04491	0.6
160.01649	9.8
161.02429	1.1
161.06111	0.2
163.00368	2.8
163.04015	0.6
164.01091	0.7
165.01892	0.5
167.05109	0.2
169.01424	1.0
171.04507	0.5
173.05983	0.3
174.03105	0.2
175.02472	2.6
175.03955	11.7
176.04535	0.4
178.02687	0.3
178.99850	13.9
180.00214	0.3
181.01390	0.4
182.02214	2.9
183.02959	3.0
183.04506	0.7
185.06087	0.3
186.03207	0.2
187.03937	1.1
189.01987	0.2
189.05583	0.3
190.99875	0.3
191.07101	0.4
192.00662	0.5
193.01398	0.7
193.05022	3.0
198.03212	0.3
199.03998	1.2
200.04591	0.3
201.01910	0.3
201.05577	1.0
202.02705	0.2
203.03502	0.5
204.04173	0.3
205.05054	0.3
211.03940	1.4
212.04820	0.2
213.01901	0.6
213.05524	0.2
214.02547	0.2
215.03488	0.6
216.04185	0.5
217.05054	0.5
226.02722	0.7
226.06464	0.2
227.03505	2.7
228.04179	0.5
229.01314	0.2
229.04976	1.5
230.02330	0.3
231.02951	0.2
233.04430	0.4
234.01694	0.8
235.02382	0.8
239.03424	0.5
243.00447	0.3
243.02960	4.8
244.03389	0.5
245.04517	2.3
254.02231	1.0
255.02975	14.9
256.03595	1.1
257.04517	0.6
259.06134	0.5
266.02145	0.3
271.02460	26.9
272.02966	1.7
273.04019	2.4
283.02441	2.6
284.03360	0.2
285.03885	0.3
296.34607	0.2
299.01968	5.3
300.02728	41.8
301.03491	73.9
302.03857	3.1
306.07513	0.5
325.03519	0.2
327.07123	0.3
345.08209	4.8
346.08777	0.3
351.07239	3.9
352.07523	0.4
397.07623	0.4
459.05649	46.3
460.05972	2.8
477.06677	1.1
491.11874	0.8
507.11768	0.2
653.11407	100.0
654.11755	10.5
799.16962	0.3
1068.17004	0.2
1069.89783	0.2
1145.26648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
67.01885	18.0
68.02199	1.1
69.64314	6.4
70.80773	1.1
71.01379	2.2
77.40594	1.1
78.95898	100.0
83.01380	26.4
89.69413	1.2
97.50811	1.1
98.20654	2.0
104.65327	1.3
110.97569	3.2
110.98473	2.7
111.00877	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
67.01887	44.0
68.17452	2.3
70.67754	6.7
75.88520	2.1
78.95898	100.0
81.85533	2.5
83.01379	9.6
111.00880	58.4
127.47908	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	1111.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03978	0.4
79.26975	0.2
81.03487	0.6
81.90776	0.2
83.01376	3.7
83.04994	0.3
85.02957	1.1
85.58991	0.3
87.00838	0.2
89.03999	0.3
92.14745	0.2
92.36533	0.3
93.03459	0.7
95.01392	0.9
95.05008	0.3
97.02957	1.1
99.00877	2.0
101.02514	0.3
107.01397	2.6
108.02187	0.5
109.02937	2.0
110.00087	0.8
111.00867	2.6
113.02429	0.7
115.00349	0.3
119.01389	0.3
121.02940	3.6
123.00919	0.6
123.04511	0.5
125.02443	15.1
126.93238	0.2
127.04015	0.4
129.01968	0.3
133.02939	1.0
135.00908	0.3
135.04570	0.4
136.98769	0.7
137.01347	0.3
137.02428	6.2
138.03131	0.4
139.00339	2.0
139.03976	1.5
140.01161	1.1
141.01944	5.5
149.02428	0.8
151.00365	9.3
151.03966	1.4
153.01933	6.0
155.03471	0.8
159.04541	0.6
161.02437	5.0
162.03180	0.8
163.00368	1.6
163.03986	0.5
164.01137	0.9
165.01921	8.8
165.99046	1.8
166.02661	0.6
166.99843	0.8
167.03526	1.3
169.01411	0.5
175.02666	0.3
175.04002	1.0
177.01938	4.4
178.99850	4.3
179.03477	0.5
181.01425	8.9
181.05025	0.4
182.02199	85.7
183.02965	92.0
184.03267	2.5
187.04016	0.7
189.01924	0.3
189.05511	0.4
190.02686	0.4
191.03435	0.5
192.00581	0.4
193.01385	1.0
193.05098	0.7
194.02193	1.1
195.02988	3.5
199.04001	0.6
201.05553	0.4
203.03513	0.9
204.04269	0.3
205.05078	0.6
207.02974	0.9
207.05046	0.6
208.03828	0.6
209.04584	0.4
211.04001	0.8
215.03432	0.4
217.05093	0.5
219.03064	0.4
221.00932	1.6
222.01607	0.7
223.02440	0.8
225.03989	0.7
227.03471	0.4
229.05011	1.0
231.02914	0.4
232.03796	2.4
233.04538	1.8
234.01724	0.5
235.02431	0.3
239.03526	0.4
241.04921	0.3
243.02852	0.5
245.04497	1.2
255.03104	1.7
256.03778	0.8
257.04535	0.8
259.02390	0.4
261.06189	0.4
269.04489	0.4
271.02505	0.6
273.04037	1.4
274.04791	1.7
275.05484	1.7
283.02536	0.7
285.00458	0.6
285.03757	0.3
287.05542	3.1
298.04745	0.3
299.05463	0.4
300.02728	4.4
301.03510	28.8
302.03873	1.4
303.07190	1.2
318.03842	1.0
319.04614	1.0
344.05392	1.3
345.08231	100.0
346.08542	3.9
353.08737	0.3
371.09894	0.4
395.09714	2.7
397.07626	1.5
419.09912	0.4
437.11008	1.2
462.43954	0.3
463.08652	2.6
471.09329	0.5
477.06711	21.1
478.07129	0.9
481.09854	15.3
482.10260	1.0
507.11426	12.9
508.11731	1.0
523.60199	0.3
633.14551	74.8
634.14819	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	1097.678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	5.4
78.98582	2.7
79.95274	0.1
79.95729	4.6
80.96510	30.6
81.03464	0.3
81.96446	0.3
82.96092	0.6
85.02953	1.2
87.00882	1.8
88.01241	0.2
94.98079	7.6
94.98683	0.4
95.01414	0.2
96.96001	0.7
97.02935	0.7
99.00888	0.4
101.02443	1.6
106.65740	0.2
106.98071	1.5
113.02433	0.3
115.00365	0.3
122.97570	2.7
125.02454	1.8
127.04057	0.4
134.97601	2.3
136.99121	0.8
148.99133	3.2
152.98589	4.0
152.99623	0.9
164.98608	6.4
165.98947	0.3
167.00142	0.4
168.04300	1.5
175.02460	1.4
182.02213	0.2
182.99648	1.3
206.99687	2.1
224.06917	0.9
225.00723	13.2
226.01039	2.1
227.00403	0.3
242.08003	2.6
243.01756	1.4
261.22241	0.4
277.21649	1.9
278.22079	0.5
279.23257	100.0
280.20651	0.4
280.23602	4.9
299.04379	2.4
300.04724	0.5
325.48666	0.2
504.30927	77.5
505.24252	0.4
505.31259	5.0
519.26978	0.7
577.07782	0.3
577.26825	49.8
578.27081	55.4
578.34418	3.4
579.27008	5.4
620.87231	0.2
652.18732	0.2
671.23041	0.2
943.48572	0.7
965.46741	0.3
983.48065	0.4
1097.51526	0.3
1098.52051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	1.0
81.03442	1.1
83.01385	2.0
83.05019	1.2
85.02953	6.7
87.00874	34.2
88.01206	0.7
89.02447	6.4
92.64870	0.6
95.01384	0.7
95.05056	0.8
96.96011	5.6
96.96922	0.6
97.02938	2.6
99.00893	2.0
101.02445	8.7
109.02943	2.8
111.00870	1.4
111.04572	0.8
112.98856	0.7
113.02451	6.1
115.00370	46.2
116.00712	1.4
119.03518	1.7
123.04530	1.4
125.02449	3.7
125.09749	0.8
127.00363	1.1
127.03997	1.9
129.01909	0.9
135.03023	3.3
139.00403	1.2
139.03920	0.6
143.03491	1.7
151.04033	1.0
157.01482	1.1
161.04570	1.4
168.85391	0.5
169.04991	1.3
169.12370	2.7
171.10265	13.2
175.02467	100.0
176.02792	5.1
177.02919	1.0
177.12868	0.8
179.05585	1.2
191.14345	0.7
193.12338	2.2
195.13930	3.3
197.11821	23.4
198.12204	0.7
205.26350	0.6
207.10271	1.2
209.11809	3.0
211.13405	1.4
219.10191	1.0
221.06697	1.3
221.11813	4.0
222.12190	0.6
223.13341	2.8
225.11362	1.1
231.05139	1.4
231.59904	0.6
235.08215	1.6
235.13373	2.1
237.11316	1.2
239.12886	4.7
241.14430	2.8
245.11804	2.4
251.12924	1.1
253.14484	1.3
261.11365	0.8
263.12805	1.5
267.12457	4.6
277.21710	23.5
278.22174	1.2
279.12436	0.6
285.13425	8.1
297.13547	0.7
345.04245	0.6
379.12259	1.8
397.13477	6.0
398.14072	1.1
415.14664	2.1
464.65091	0.7
485.06250	0.6
551.23267	1.3
569.24286	0.8
647.25128	1.1
657.35022	1.6
665.26642	4.8
675.36194	2.1
683.27228	2.7
829.46198	2.4
897.48798	0.8
899.45404	2.7
909.49109	1.1
921.48065	1.9
923.46210	1.2
925.47632	2.4
926.48279	0.7
927.48431	1.4
939.46509	3.8
941.47675	12.4
942.46844	1.0
943.48999	96.3
944.49298	10.6
955.48645	1.6
957.50391	1.2
965.47186	3.5
973.49615	5.1
983.48438	30.4
984.48871	4.2
1000.28949	0.8
1001.49725	6.5
1002.50262	1.2
1043.50659	2.3
1097.51013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03956	0.5
81.03448	0.4
83.01369	2.3
85.02960	0.9
85.79010	0.2
89.02431	0.3
93.03485	0.6
95.01377	0.6
95.05008	0.3
95.17319	0.3
97.02966	1.2
99.00858	1.3
109.02929	1.1
110.00084	0.8
111.00893	2.1
111.04481	0.5
113.02429	0.5
121.02943	1.9
123.00881	0.7
123.04501	0.6
124.01585	0.4
125.02444	13.7
127.03978	0.4
131.05089	0.3
133.02937	0.5
135.04533	0.3
136.98819	0.4
137.02437	5.6
138.03227	0.4
139.00378	1.8
139.04016	1.5
139.14326	0.3
140.01225	1.2
141.01933	5.3
149.02487	0.3
151.00317	0.6
151.03973	1.3
153.01921	5.8
153.35135	0.3
155.03494	0.9
157.04973	0.3
161.02435	4.5
162.03217	0.8
163.03949	0.6
164.01234	0.6
165.01918	8.2
165.99092	1.8
166.02521	0.5
166.99815	1.0
167.03505	1.0
175.03986	0.7
177.01917	4.0
179.03473	0.4
181.01405	8.3
181.04935	0.3
182.02193	78.3
183.02963	82.3
184.03267	1.9
187.03943	0.3
189.01877	0.3
189.05545	0.3
191.03418	0.7
193.01378	1.0
193.05064	0.7
194.02179	1.1
195.02980	4.3
201.01993	0.2
203.03371	0.3
205.05029	0.5
207.02963	0.8
207.05031	0.6
208.03780	0.4
209.04475	0.6
215.03529	0.4
217.05049	0.7
219.02968	0.7
221.00941	1.8
222.01683	0.9
223.02376	0.9
225.04010	0.6
231.02954	0.5
232.03717	1.8
233.04570	1.8
234.01688	0.4
235.02444	0.4
245.04544	0.6
248.03278	0.3
256.03845	0.4
257.04538	0.3
269.04483	0.3
271.02429	0.7
273.04044	0.5
274.04745	1.8
275.05600	1.6
285.00311	0.3
287.02328	0.6
287.05527	3.1
300.02750	4.5
301.03467	1.2
303.07330	1.7
316.02057	1.3
318.03760	0.7
319.04544	1.0
344.05460	1.0
345.08234	100.0
346.04755	0.5
346.08572	3.7
354.86560	0.3
371.09839	0.7
384.07294	0.3
395.09821	2.5
397.07806	1.5
437.10986	1.4
463.08774	4.1
471.09152	0.5
481.09839	16.2
482.10330	0.8
502.88956	0.3
507.11404	14.3
508.11578	0.8
529.35626	0.3
615.13293	0.4
633.14557	71.1
634.14905	5.8
634.24927	0.2
666.61945	0.3
696.02618	0.3
1056.70911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.3
85.02949	1.5
87.00901	0.2
91.01900	0.3
93.03458	1.2
95.01406	0.4
98.20654	0.3
99.00887	0.4
101.02493	0.1
103.00356	0.6
107.01386	7.8
108.02194	0.3
109.02947	3.4
111.00881	0.2
113.02445	1.2
117.01929	0.1
117.61948	0.1
119.01412	0.6
121.02950	6.3
123.00912	0.1
124.01651	0.1
125.02475	0.5
127.05560	0.1
135.00870	0.6
137.02380	0.1
139.04018	0.6
145.02982	0.3
147.04556	0.2
148.01678	0.4
149.02426	1.0
151.00362	32.4
151.92441	0.1
152.00620	0.5
153.01878	0.1
157.06601	0.2
159.04465	0.7
161.02461	0.5
161.06114	0.1
162.03125	0.1
163.00369	4.9
163.03984	0.4
164.01166	0.6
165.01915	0.3
167.05034	0.3
169.01453	1.1
170.03622	0.1
171.04488	0.3
173.06071	0.4
174.03267	0.2
175.02464	0.7
175.04005	0.5
177.01852	0.1
178.99850	14.1
180.00282	0.3
183.04515	0.9
185.02440	0.2
185.06068	0.4
187.03976	0.9
189.02040	0.2
189.05589	0.4
190.99902	0.5
192.00644	0.3
193.01419	0.6
193.03049	0.1
195.04546	0.3
196.00270	0.1
198.03326	0.1
199.03989	0.5
200.04784	0.2
201.05544	1.3
203.03540	0.4
205.05051	0.3
211.03990	2.2
212.04744	0.3
213.01981	0.4
213.05577	0.2
214.02715	0.3
215.03499	0.3
216.04327	0.2
217.05045	0.3
226.02721	0.2
227.03485	2.0
228.04233	0.3
229.05022	2.0
229.54955	0.2
231.02942	0.2
233.04716	0.2
239.03423	0.8
240.04210	0.2
243.03004	1.0
245.04518	3.7
254.02344	0.2
255.02969	6.6
256.03622	0.8
257.04480	0.6
259.02405	0.1
265.01535	0.2
266.02219	0.5
271.02454	4.9
272.02988	0.5
273.04007	2.7
283.02441	2.9
284.03104	0.3
299.02036	0.4
300.02750	7.6
301.03503	100.0
302.03836	4.2
318.43649	0.1
477.06680	78.4
478.07025	5.0
478.14023	0.2
609.14551	9.7
610.14868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	0.3
81.04588	0.3
82.02966	0.6
83.01383	2.1
84.04508	0.3
85.02953	0.3
86.02466	1.8
86.06096	0.4
86.99087	0.5
87.05642	0.9
90.00188	0.7
93.03445	0.3
97.02977	0.3
97.04059	0.7
98.20772	0.4
99.00885	0.7
99.05634	4.1
101.07201	0.9
101.61332	0.2
102.05606	0.7
107.06190	0.3
109.04059	0.9
111.00851	0.5
111.05654	0.4
112.04029	0.5
113.03533	0.2
116.01743	0.3
119.05003	0.3
121.02950	0.5
123.05640	0.4
124.01652	0.4
125.02618	0.2
125.03576	0.7
127.05155	0.6
128.03537	13.8
129.03830	0.2
131.04633	0.3
135.04597	0.4
135.05624	1.6
137.02451	2.2
138.03218	0.6
139.00359	0.8
139.03989	0.8
140.01157	0.2
141.01906	1.3
141.06689	1.1
143.04614	18.5
144.01233	0.3
144.04996	0.4
145.06163	0.8
146.04582	1.7
147.08174	0.3
150.03186	0.8
151.04028	0.3
152.01147	0.8
153.01944	1.5
153.06703	1.3
160.00732	4.5
161.09732	0.3
163.04015	3.2
164.04825	0.5
165.01918	5.5
165.99075	0.7
166.02654	1.2
166.09868	1.1
167.04622	1.8
167.08273	0.5
170.02101	0.4
170.03369	0.3
171.04132	0.3
171.07761	0.3
175.04008	0.2
177.03355	1.9
177.05566	1.5
178.02696	0.7
179.03511	0.5
179.04666	4.7
179.07074	0.4
181.01408	1.7
181.06181	0.7
182.02194	23.3
183.02962	20.2
184.03342	0.4
184.10857	0.3
185.05637	1.1
187.03909	0.3
190.02785	0.3
191.03506	3.4
191.07158	1.0
192.04237	0.8
192.07828	0.3
193.08696	0.6
195.02972	0.8
197.05695	0.6
201.05550	0.3
201.09010	0.2
205.05034	8.6
206.09464	2.1
207.02966	1.7
207.04990	0.6
207.10327	0.4
210.08801	4.5
215.03561	0.5
217.08690	0.9
219.06610	1.0
219.10173	1.0
220.07419	0.3
221.08151	0.9
226.49838	0.3
228.09833	0.3
229.04984	0.6
231.04333	0.3
233.04529	17.6
233.07851	1.3
234.04938	0.6
234.08878	1.7
235.09724	11.5
236.10089	0.4
242.07796	0.5
245.08192	0.8
247.06137	0.4
247.09845	0.4
254.07843	4.9
257.08185	0.4
259.09753	0.3
261.07681	1.5
262.08438	35.4
263.09192	16.0
264.09601	0.7
272.08838	6.9
275.09189	1.0
287.09213	0.3
288.06589	3.1
306.07626	100.0
307.07935	2.5
345.08240	16.6
346.08557	0.5
383.13336	0.3
407.13528	0.6
425.14493	88.4
426.14825	3.9
435.82425	0.2
714.22028	0.4
732.22821	12.0
733.23035	0.8
932.38977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03955	0.2
77.17535	0.2
83.01389	0.4
85.02931	0.2
88.82726	0.2
95.01385	0.2
97.02947	0.4
99.00863	0.3
107.17941	0.1
109.02927	0.3
111.00858	0.9
111.04520	0.3
112.76887	0.2
121.02931	0.6
133.02937	0.2
135.04532	0.3
137.02441	1.7
139.00349	0.3
139.03993	0.4
141.01930	1.4
151.03990	0.5
153.01862	1.2
155.03484	0.3
165.01903	2.9
165.99084	0.8
166.99850	0.5
177.01920	0.4
179.03496	0.3
181.01405	2.1
182.02199	41.8
183.02969	48.8
184.03357	0.9
193.05022	0.3
195.03023	1.3
207.03059	0.3
207.05019	0.4
219.02837	0.3
225.04030	0.5
303.07016	0.2
327.07300	0.2
345.08234	100.0
346.08560	3.3
495.66464	0.2
507.11411	10.2
508.12039	0.8
508.18509	0.2
515.84955	0.2
559.29126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	12.2
76.41891	0.2
78.59492	0.2
80.96530	0.4
81.03471	0.5
83.01388	0.8
83.05012	0.2
85.02944	4.5
87.00872	4.1
87.01379	0.3
89.02441	2.6
95.01388	0.2
97.02943	3.3
98.19964	0.3
99.00902	0.4
100.97073	0.2
101.02441	2.0
106.96535	0.2
107.05025	0.2
108.66698	0.2
111.00887	0.6
111.04558	0.3
112.98821	0.2
113.02448	0.8
114.74650	0.2
115.00375	2.2
115.04012	0.5
116.92865	0.3
117.01933	0.8
119.03484	0.5
120.62249	0.2
125.02429	0.8
125.09731	0.4
129.01938	100.0
130.02339	1.2
135.02994	26.1
136.03319	0.4
136.18755	0.2
141.01984	0.4
142.99855	0.4
143.03526	1.0
161.04543	0.3
165.40225	0.2
171.10292	1.4
173.00948	0.4
175.01006	0.4
175.02464	4.9
179.05658	0.4
185.04448	0.2
191.01895	0.2
195.13844	0.6
197.11719	0.8
203.05585	0.6
209.11836	1.7
211.13440	0.5
212.04507	0.2
219.05286	0.3
221.11760	0.8
223.13257	0.2
225.00610	0.2
227.12746	0.2
235.08162	0.3
239.12836	3.6
241.14493	0.3
247.04546	4.3
277.21689	4.6
278.21777	0.3
285.13297	0.7
379.12186	0.4
397.08344	0.3
397.13391	4.0
398.13861	0.3
415.14377	0.9
675.35565	0.4
845.44775	0.5
866.67560	0.2
879.46497	0.7
897.46991	0.8
899.46692	0.3
925.48041	1.1
926.49194	0.3
937.47687	0.3
941.47449	1.8
943.49030	2.7
955.48810	0.3
1016.48810	0.2
1077.49622	0.7
1078.46790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	7.3
80.87595	0.2
80.96487	0.3
81.03434	0.4
83.01374	0.6
85.02950	4.2
87.00867	3.3
88.98798	0.2
89.02433	1.9
96.65667	0.2
97.02954	2.7
98.20695	0.3
99.00893	0.5
101.02459	1.9
109.02901	0.4
111.00865	0.5
113.02453	1.0
115.00375	2.8
117.01960	0.4
119.03494	0.4
121.84148	0.2
125.02457	0.5
125.09721	0.5
128.03514	0.2
129.01938	100.0
130.02248	1.4
135.02994	14.1
143.03568	0.3
146.70071	0.2
171.10280	1.8
175.02461	6.9
175.03975	0.4
177.12805	0.3
179.05605	0.8
183.11694	0.2
187.02365	0.2
187.09724	0.3
187.96408	0.2
191.02019	0.2
193.06398	0.2
193.12407	0.4
195.13983	0.4
197.11816	0.5
203.05635	0.3
209.11823	1.8
211.13243	0.4
221.06606	0.4
221.11855	0.8
223.13345	0.2
235.08159	0.4
239.12837	2.9
247.04575	4.0
267.12521	0.2
277.21713	3.8
277.24728	0.2
285.13419	0.7
293.21121	0.4
305.08459	0.3
379.12296	0.5
397.13397	2.8
415.14658	0.7
619.26233	0.3
637.27319	0.3
665.26324	0.3
683.27911	0.4
740.12488	0.2
845.45001	0.5
879.47498	0.3
897.48151	0.3
898.49072	0.3
923.46222	0.5
925.47803	1.1
941.47296	1.7
943.49237	2.8
944.48987	0.3
950.55524	0.2
955.49261	0.3
959.48883	0.5
1033.51318	0.2
1077.49011	0.4
1078.49841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
77.11494	0.3
83.01382	1.1
85.02944	3.9
87.00873	0.4
91.01851	0.4
93.03452	0.7
95.01405	1.2
99.00892	1.5
103.00378	0.9
105.03532	0.3
107.01382	2.7
108.02223	0.5
109.02933	1.2
113.02445	4.4
115.00374	1.0
115.01760	0.3
117.03476	0.6
121.02934	2.1
132.02194	1.5
133.02953	22.7
134.03308	0.4
135.00960	0.4
135.04530	7.7
136.29634	0.3
147.04535	0.5
149.02460	0.5
149.06102	0.4
151.00359	11.0
157.01466	0.5
159.04463	0.4
160.34425	0.4
161.02434	88.7
162.02771	2.4
163.00381	1.0
163.03993	0.9
164.01117	0.4
169.01511	0.4
173.06033	0.4
173.83690	0.3
175.02444	2.1
175.03970	1.4
177.05559	0.5
178.99855	5.9
179.03502	2.9
183.03018	0.3
187.03975	0.6
189.05522	0.4
191.03458	0.6
193.01407	0.4
199.04005	0.5
201.05551	1.0
203.03485	1.4
211.04010	0.5
217.04982	0.7
219.02960	1.4
227.03525	1.5
229.04984	0.6
243.02942	1.6
245.04547	2.4
255.02979	5.5
257.04510	0.5
271.02438	8.6
272.03128	0.4
273.03928	0.9
283.02441	1.0
284.03342	0.9
285.03952	0.9
299.01996	1.8
300.02731	14.5
301.03513	30.3
302.03787	1.3
308.60529	0.3
337.05627	22.8
338.06049	0.9
345.08154	0.5
431.09845	1.2
459.05698	13.1
460.06036	0.9
477.06680	3.7
578.43823	0.4
621.08649	0.5
637.57556	0.3
639.09857	100.0
640.10175	8.6
1050.09399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.597
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00867	19.1
96.02629	8.8
99.82513	10.2
101.73234	9.5
105.68754	10.9
115.00369	25.7
118.16283	10.5
137.03848	11.8
175.02420	23.6
193.69402	10.5
197.45522	11.3
228.66591	11.0
277.21606	16.1
315.63943	11.8
344.81299	10.0
463.10730	11.7
549.28381	100.0
669.42078	10.1
901.61505	10.6
945.49335	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01884	1.0
81.03442	0.7
83.01385	5.2
85.02933	0.6
89.02458	0.4
93.03454	1.4
95.01382	0.8
95.05019	0.4
97.02944	0.9
98.19855	0.3
99.00874	1.1
101.02462	0.4
105.03438	0.3
107.04980	0.3
109.02940	1.5
111.00875	2.2
113.02439	0.4
121.02930	1.1
122.03767	0.3
123.00867	0.8
123.04527	0.8
124.01609	0.4
125.02463	2.7
125.09692	0.4
135.00931	0.3
136.98787	1.3
137.02426	3.5
137.06105	0.4
138.03250	2.0
139.00359	1.3
139.03996	1.6
140.01134	0.4
141.01938	5.7
147.04478	0.5
149.02399	1.3
150.03189	0.7
151.00366	0.9
151.03963	0.9
153.01932	13.2
154.02345	0.3
163.04016	1.5
164.04756	0.4
165.01904	9.0
165.05569	0.9
165.98996	0.5
166.02710	2.3
167.03484	7.7
170.02156	1.0
175.02414	0.4
175.03926	0.4
177.01958	0.5
179.03471	1.1
181.01439	7.0
181.05048	16.6
182.02196	19.6
183.02965	21.0
184.03485	0.5
190.02762	0.3
191.03482	2.8
192.04243	0.6
193.01442	0.6
193.05045	0.5
194.02226	1.7
194.26001	0.3
195.02971	6.6
205.05009	0.4
206.02158	0.5
207.02942	1.0
207.10187	0.6
208.03683	0.6
209.04530	19.2
209.11824	0.3
210.05287	1.6
215.89134	0.3
219.02954	3.0
220.03697	0.9
221.00812	1.1
222.01614	0.6
223.02477	0.4
225.11295	0.6
226.01060	0.3
233.04538	0.5
235.02440	1.2
236.03197	1.2
237.04016	29.3
238.04709	2.7
242.26578	0.3
255.44598	0.3
261.03839	0.4
265.03455	0.3
277.21649	2.1
295.11676	0.5
303.07285	0.5
345.08319	4.4
359.06033	0.4
369.08035	0.4
493.40424	0.3
833.43585	1.4
861.42438	1.2
887.44531	0.7
904.44440	2.4
905.45422	3.7
906.45764	0.3
1022.44604	0.3
1035.51917	0.6
1049.49548	0.4
1067.50562	100.0
1068.50903	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	1062.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02470	8.6
81.04572	0.5
82.02982	1.2
82.83091	0.2
84.04508	0.3
85.04060	0.3
86.02476	3.0
86.06089	0.5
86.99094	0.9
87.05641	2.2
88.04054	0.4
90.00192	0.8
96.04551	0.4
96.96004	1.9
97.04073	1.4
98.20706	0.5
99.05641	8.2
100.00391	0.3
101.07224	1.4
102.05614	1.3
107.06146	0.6
109.04100	2.0
109.07688	0.4
111.05637	0.6
112.04035	0.7
113.03581	0.4
116.01742	0.9
116.92841	0.3
120.01249	0.4
123.05618	0.9
124.04066	0.6
125.03552	0.8
126.01904	0.3
127.05133	2.0
128.03537	22.7
129.03835	0.3
129.99643	0.3
131.04533	0.2
135.05632	2.3
137.07208	0.5
141.06691	1.8
143.04614	30.7
144.01169	0.3
144.04886	0.3
145.06207	1.8
146.04584	3.2
153.06682	2.7
155.08322	0.3
160.00735	8.4
164.08185	0.3
166.09888	1.5
167.04581	2.4
167.08247	1.7
170.03285	0.4
171.07733	0.5
175.02495	0.5
177.03381	3.1
179.04601	7.5
181.06157	0.9
183.02917	0.4
184.10907	0.3
185.05667	1.0
192.07724	0.8
197.05602	1.1
198.08861	0.4
209.11847	0.5
210.08829	7.5
211.13432	0.3
213.03308	0.4
228.09882	0.4
242.07799	0.7
254.07822	7.3
267.25732	0.3
272.08850	12.7
286.46359	0.3
288.06580	5.3
306.07629	100.0
307.07925	2.3
328.00882	0.3
538.76202	0.3
908.03906	0.3
1044.49084	0.8
1062.50610	10.7
1063.51331	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	1060.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02468	8.4
81.04574	0.6
82.02971	1.2
84.04542	0.4
85.04039	0.5
86.02455	2.7
86.06132	0.8
86.99094	1.0
87.05618	1.7
90.00182	1.0
96.04547	0.5
96.95965	0.6
97.04042	1.1
99.05644	6.9
100.00410	0.4
101.07224	2.1
102.05589	0.9
105.89668	0.4
105.90352	0.5
107.06129	0.6
109.04065	1.8
109.07685	0.7
111.05655	1.0
112.04103	1.0
113.03557	0.5
116.01745	0.5
123.05649	1.1
124.03992	0.6
125.03531	1.3
127.05121	1.8
128.03528	23.8
135.05624	2.6
137.07220	0.7
141.06670	1.8
143.04611	28.3
144.04922	0.6
145.06161	1.5
146.04539	2.1
153.06680	2.5
160.00729	8.3
166.09811	1.6
167.04617	2.4
167.08167	1.1
170.03343	0.5
171.04131	0.8
177.03398	3.0
179.04584	7.3
181.06149	0.8
185.05687	1.0
192.07826	0.9
196.15828	0.5
197.05664	0.8
210.08829	7.6
254.07788	7.1
257.51877	0.5
272.08841	14.0
273.08981	0.5
285.74026	0.4
288.06537	5.0
306.07626	100.0
307.07785	3.1
320.09344	0.8
1042.49805	0.6
1060.48999	8.0
1061.52014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	17.3
79.21609	0.4
81.03452	1.5
83.01381	2.3
83.05019	1.4
84.02172	0.8
85.02946	7.9
85.50813	0.4
87.00874	35.7
88.01215	0.6
89.02442	9.7
95.01392	1.3
95.05035	1.1
97.02955	4.1
97.06599	0.9
98.20492	0.4
99.00867	2.9
99.04529	0.9
101.02444	11.0
108.02133	0.6
109.02940	3.6
111.00869	1.4
111.04516	1.1
111.08105	0.4
112.98777	0.6
113.02446	7.4
115.00371	50.9
115.03998	0.7
116.00686	1.3
116.92811	0.3
119.03498	1.8
119.04228	0.3
121.06617	0.5
122.03613	0.3
123.04501	2.1
123.08213	0.5
125.02442	5.3
125.06146	0.4
125.09753	0.6
127.00354	1.0
127.04015	3.8
127.11266	0.5
129.01912	1.1
131.03505	0.6
135.03004	3.0
137.02390	0.4
139.00359	0.7
139.03966	0.9
141.01939	0.4
143.03477	1.7
149.04559	0.4
151.03981	1.3
161.04599	2.1
163.11330	0.9
169.05023	3.4
169.12343	4.7
171.02942	0.6
171.10266	19.1
175.02464	88.9
176.02821	2.8
177.02956	0.7
177.12813	0.6
179.05571	2.0
179.10721	0.4
179.14349	0.4
181.12263	0.5
184.00179	0.4
193.12331	3.2
195.13916	3.2
197.11821	28.2
198.12210	0.4
205.12401	0.6
207.10265	1.6
209.11829	1.4
209.15445	0.7
211.13419	1.6
217.12366	0.5
219.13812	0.4
221.06648	2.6
221.11855	2.9
223.13240	2.6
225.11313	1.1
231.05070	1.3
235.08084	1.9
235.13455	2.2
237.11360	1.0
237.15030	0.8
239.12856	5.6
241.14426	3.9
245.06384	0.4
245.11807	2.1
251.12856	0.9
253.09073	0.5
253.14415	1.7
263.09195	0.4
263.12814	1.6
267.12314	5.4
269.13867	0.8
277.21701	30.4
278.22028	1.2
281.13956	0.7
285.13406	11.4
287.07697	0.6
289.10721	0.5
297.13412	0.8
305.08783	0.4
315.14627	0.6
379.12534	3.7
397.13486	9.9
415.14575	3.6
551.23273	2.1
569.24744	1.0
595.25775	0.5
621.27338	0.5
647.25464	0.8
657.35144	1.5
665.26563	5.5
667.28131	0.5
675.36554	1.9
683.27600	5.1
794.64722	0.4
794.79315	0.4
829.45691	1.8
879.48236	0.8
897.48047	1.0
899.46631	3.4
909.49017	1.2
915.48688	0.9
921.48401	3.5
925.48395	2.1
927.49860	1.8
937.48193	0.9
939.46307	5.4
940.47156	1.1
941.47455	11.2
942.47626	1.9
943.48993	100.0
944.49182	12.3
955.48773	2.2
956.50336	0.7
957.50330	1.1
965.47668	3.5
966.47778	0.5
971.47723	0.5
973.49878	5.4
974.49823	0.8
981.50079	0.7
983.48529	26.0
984.48621	3.4
999.50293	0.9
1001.49402	6.0
1002.50177	0.4
1007.47974	0.6
1013.48462	0.6
1043.50623	2.4
1061.52832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
73.79130	0.1
75.00875	0.7
79.01868	0.1
79.53889	0.1
83.00904	0.1
83.01393	0.5
85.02942	3.5
87.00884	0.7
89.02444	0.3
91.01893	0.4
93.03460	1.7
95.01379	1.4
99.00883	1.2
103.00377	0.6
103.62243	0.2
107.01390	1.9
109.02941	0.6
110.52849	0.2
112.11201	0.2
113.02452	4.2
115.00371	0.3
117.01951	0.3
117.03473	0.3
119.01446	0.3
125.02516	0.2
129.01949	0.2
130.04195	0.2
131.05023	0.2
132.02145	0.4
135.00885	1.3
137.02411	0.4
141.07126	0.3
143.05051	1.2
145.02937	0.6
151.00368	2.4
153.01895	0.3
154.04245	0.3
155.05035	0.5
157.06493	0.8
158.03703	0.2
159.04501	1.1
161.02414	0.2
163.00385	2.6
164.01210	0.4
165.01901	0.3
167.05017	0.7
169.06610	1.1
169.07811	0.2
171.04491	1.0
173.02397	0.2
173.06090	0.5
174.03247	0.2
175.02477	2.1
175.03900	0.2
178.99806	0.2
182.03677	0.2
183.04478	0.6
185.06059	2.8
187.03993	3.3
189.05537	1.3
192.00606	0.3
195.04457	0.7
197.06030	1.0
198.03198	0.3
199.03976	1.1
201.05615	0.8
207.12914	0.2
211.04010	2.2
212.04707	0.4
213.05524	2.5
214.02724	0.4
215.03438	0.6
223.04108	0.2
224.04778	0.2
227.03482	16.6
228.03882	1.0
229.05037	13.0
230.05322	0.3
239.03490	1.7
240.04185	0.9
241.05017	1.9
243.02969	0.7
255.02966	29.4
256.03604	3.1
257.04526	7.6
258.04910	0.2
267.02921	1.2
283.02612	0.2
283.06097	0.2
284.03244	40.3
285.04013	100.0
286.04364	4.1
327.05054	0.8
405.44159	0.2
461.07217	19.2
462.07623	1.3
593.15051	99.8
594.15399	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	1053.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96491	1.2
83.01376	3.6
93.03433	0.6
97.02946	1.0
97.05968	0.5
99.00882	3.2
100.02478	0.4
109.02979	0.9
111.00868	1.7
113.02424	0.8
121.02895	0.8
123.00854	0.9
130.44972	0.5
137.02454	4.5
138.03253	0.8
139.00368	1.2
139.04051	0.6
140.01118	1.4
141.01929	6.3
149.02457	0.8
150.03215	0.8
153.01921	4.2
163.00281	0.8
163.04027	0.8
165.01955	4.5
165.05510	0.8
165.99005	0.7
166.02652	0.9
167.03496	1.9
179.03505	4.2
181.01437	2.8
181.05072	4.9
182.02182	19.4
183.02968	21.8
191.03468	1.2
193.05011	1.6
195.02975	1.8
195.06779	0.6
207.03027	2.5
207.06601	1.1
208.03528	0.9
209.04552	5.6
219.02972	0.7
221.04634	0.7
225.00766	1.0
235.05986	0.7
237.04018	6.0
249.03372	0.5
249.11320	1.0
263.12866	2.4
267.12454	1.1
277.21671	3.2
281.13925	2.3
291.12250	0.5
297.15277	0.9
305.13919	1.5
315.12372	0.6
333.13391	2.1
345.08191	6.5
495.55963	0.5
539.21307	1.2
545.22351	0.7
569.21606	0.6
587.23279	1.7
763.43079	1.2
805.44403	1.0
819.45459	1.2
829.43591	1.0
846.44391	0.8
847.44458	3.2
890.45984	3.4
891.47375	7.1
892.46558	0.6
990.50793	0.7
1009.51147	0.9
1053.52539	100.0
1054.52795	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
54.12829	0.7
54.76621	0.7
57.15227	0.8
58.00583	0.8
59.01377	21.6
59.86481	0.7
71.09467	0.7
71.35242	0.9
72.99309	72.0
73.99637	1.3
75.00871	22.7
78.70386	0.6
87.92521	1.0
88.31437	0.9
94.98346	0.8
103.00357	1.3
104.71624	0.7
105.01932	100.0
106.02284	2.4
109.88647	0.9
118.99822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03947	0.1
81.03452	0.1
83.01387	0.5
85.02912	0.2
95.01353	0.1
97.02938	0.4
99.00861	0.4
101.38160	0.1
109.02922	0.3
111.00868	0.6
111.04487	0.2
113.02452	0.2
121.02938	0.5
123.00887	0.2
123.04433	0.1
125.02438	0.3
127.03973	0.1
133.02905	0.2
135.04527	0.3
137.02422	1.5
139.00356	0.4
139.03970	0.6
141.01949	1.2
145.37674	0.1
151.04022	0.4
153.01924	1.4
155.03476	0.3
161.02495	0.1
165.01926	3.1
165.99040	0.6
166.02765	0.2
166.99855	0.5
167.03435	0.2
177.01869	0.3
179.03473	0.2
181.01418	2.1
181.05017	0.1
181.98912	0.2
182.02197	41.1
183.02966	47.6
184.03290	1.2
186.01675	0.2
193.04955	0.2
194.02092	0.2
195.02968	1.4
207.03104	0.2
207.05051	0.4
225.03981	0.4
261.06061	0.2
262.08432	0.1
327.07175	0.6
345.08228	100.0
346.08578	3.5
397.07632	0.2
397.83899	0.1
425.14508	0.2
507.11420	9.9
508.11688	0.6
557.00336	0.1
638.49298	0.1
744.09271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79538	0.8
59.01373	17.7
70.87152	1.4
70.87482	1.3
72.99303	65.5
73.99663	1.4
75.00863	21.4
79.78427	0.8
87.92532	1.6
88.76716	0.9
91.19293	0.8
101.77687	0.8
102.63585	1.0
103.00358	1.2
105.01928	100.0
106.02272	2.5
114.98013	0.9
119.35088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12829	0.7
54.76621	0.7
57.15227	0.8
58.00583	0.8
59.01377	21.6
59.86481	0.7
71.09467	0.7
71.35242	0.9
72.99309	72.0
73.99637	1.3
75.00871	22.7
78.70386	0.6
87.92521	1.0
88.31437	0.9
94.98346	0.8
103.00357	1.3
104.71624	0.7
105.01932	100.0
106.02284	2.4
109.88647	0.9
118.99822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02470	12.2
81.04581	0.8
82.02986	2.2
84.04554	1.0
86.02466	3.9
86.99082	1.4
87.00874	0.5
87.05632	2.4
88.04037	0.6
90.00170	0.9
95.02507	0.5
97.04076	2.6
98.02485	0.6
99.05643	10.8
101.07179	1.3
101.41769	0.5
102.05593	1.3
105.99661	1.1
107.06203	0.7
109.04073	2.7
109.07732	0.5
111.05627	1.1
112.04015	1.0
113.03555	0.7
113.65681	0.5
116.92837	2.2
117.92912	0.6
123.05640	1.1
124.04008	1.1
125.03541	2.3
125.04417	0.6
126.01965	0.5
127.05110	4.0
128.03537	36.5
129.03786	0.7
135.05644	4.8
137.07205	0.9
141.06706	1.9
143.04614	36.3
144.04990	0.6
145.06183	1.8
146.04576	3.7
153.06682	3.2
160.00743	9.7
166.09840	1.7
167.04535	2.8
167.08253	1.2
170.03342	1.2
171.07780	1.4
175.01816	1.4
177.03395	2.5
179.04594	10.1
181.06325	0.7
184.10950	0.6
185.05646	1.5
192.07793	1.4
197.05704	2.5
199.13391	0.6
210.08829	7.2
233.99776	0.5
242.07709	0.7
254.05420	1.0
254.07823	11.2
272.08871	19.9
277.21698	1.2
288.06561	6.3
304.06070	10.5
306.07639	100.0
307.07907	2.3
314.08258	0.8
320.09070	2.0
321.09445	1.9
323.22333	0.6
332.09177	5.3
387.35144	0.5
739.43256	0.8
773.41467	1.1
889.93604	0.7
1028.48279	0.8
1046.51392	6.8
1047.51111	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	1046.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02469	9.2
75.26091	0.3
81.04571	0.4
82.02983	1.3
84.04522	0.6
86.02474	3.8
86.99104	1.1
87.05647	1.9
88.04009	0.4
90.00189	0.6
96.04524	0.5
97.04063	0.9
99.05641	7.6
101.07195	1.1
102.05604	1.6
109.04079	1.8
109.07686	0.4
111.05657	0.5
112.04072	1.0
116.01777	0.6
116.92837	1.1
121.04063	0.4
123.05632	0.9
124.03967	0.6
125.03546	1.5
126.01992	0.6
127.05132	3.0
128.03535	30.1
129.03885	0.7
135.05617	2.7
137.07227	0.8
139.08778	0.3
141.06676	1.9
143.04617	31.5
144.01233	0.4
144.04933	0.6
145.01494	0.3
145.06129	1.7
146.04570	3.1
149.07130	0.4
153.06699	2.2
153.93336	0.3
154.11783	0.4
155.08243	0.6
160.00732	9.5
166.09865	1.5
167.04668	2.1
167.08249	1.2
169.81459	0.4
171.04111	0.9
171.07803	0.7
177.03380	3.0
179.04634	8.3
181.06178	0.9
184.11031	0.3
185.05630	1.4
192.07773	0.8
197.05670	1.0
198.08786	0.4
210.08830	7.7
226.07912	0.3
228.09909	0.4
242.07785	0.7
243.83997	0.4
254.07805	10.8
272.08856	20.1
277.21609	0.7
288.06577	5.4
304.06100	1.2
305.08655	0.8
306.07632	100.0
307.08038	2.9
320.08951	1.8
321.09555	1.0
322.09024	1.2
332.09164	6.3
404.77753	0.4
501.35507	0.4
531.73871	0.4
734.04382	0.4
739.42584	0.5
904.20618	0.4
1009.91791	0.4
1046.50769	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	1045.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	1.5
73.02939	1.0
75.00868	0.9
83.01379	3.5
84.02147	0.5
85.02939	1.5
87.00871	39.3
89.02447	1.3
97.02934	0.3
99.00854	0.4
101.02443	1.4
106.58199	0.2
111.00867	2.6
112.98789	0.8
113.02419	1.5
115.00366	53.0
116.00679	0.7
119.03477	0.2
125.02437	0.4
125.13808	0.2
127.00351	1.1
129.01903	0.4
137.06149	0.2
139.00378	3.8
157.01428	5.6
175.02461	100.0
176.02792	1.5
195.13876	0.3
197.15530	0.3
212.17172	0.3
223.13295	0.4
225.14896	0.5
235.13339	0.4
235.16943	0.7
237.14955	0.5
239.12827	0.4
239.16518	0.6
241.14436	2.5
247.13420	0.8
251.12900	0.4
253.14520	0.4
253.17981	0.3
255.15913	0.3
261.14972	1.7
263.16464	0.5
265.14545	0.7
269.13931	0.6
277.21698	3.2
281.17548	0.6
287.14978	0.8
289.14438	0.4
307.15469	0.6
397.13303	0.6
397.93814	0.2
503.39194	0.3
521.79230	0.3
628.05261	0.3
877.29413	0.3
899.50757	0.5
911.51178	0.5
923.49860	0.6
927.49536	6.9
928.49792	0.7
941.51300	2.9
942.50189	0.4
945.50146	2.4
946.50708	0.3
965.51141	1.9
983.52130	4.5
984.52008	1.0
985.50061	2.0
997.51001	0.4
1027.51196	1.4
1045.53503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03447	0.9
83.01386	2.0
85.02907	0.5
85.22492	0.4
93.03473	0.6
97.02955	1.1
99.00868	0.7
109.02950	2.7
111.00867	2.0
119.05021	7.7
121.02922	1.2
123.00838	0.4
125.02386	0.7
129.01883	0.5
135.00865	0.5
135.04529	0.5
136.98799	1.8
137.02449	4.3
139.00362	1.5
139.04013	0.8
140.01175	0.4
141.01923	2.6
151.03966	0.5
153.01924	23.6
154.02303	0.4
156.00510	0.4
163.04015	6.6
165.01929	5.6
165.99049	0.8
166.02664	1.2
166.99828	0.8
167.03462	1.5
177.01955	0.4
179.03494	0.5
181.01425	39.6
182.02196	49.0
183.02969	57.3
184.03252	1.7
194.02139	0.5
195.02989	1.4
207.03011	2.3
222.00179	0.3
225.04077	1.1
229.60689	0.3
249.03954	0.9
285.06238	0.6
305.15326	0.3
327.07184	53.7
328.07562	1.6
337.13028	0.4
337.30609	0.3
345.08234	100.0
346.08545	3.6
351.40970	0.3
352.26025	0.4
491.11935	52.7
492.12140	2.7
665.70837	0.4
943.01642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	1.5
73.02946	1.1
75.00877	1.2
78.95926	0.3
83.01390	2.6
84.02166	0.3
85.02948	2.0
87.00874	40.2
89.02460	0.7
96.96020	0.5
99.00849	0.4
101.02454	1.6
101.03034	0.3
103.67149	0.3
105.01835	0.3
111.00882	3.0
112.98817	0.9
113.02433	1.2
115.00367	54.5
116.00716	0.8
119.03532	0.3
125.02464	0.5
127.00360	0.9
128.03577	0.3
129.01930	0.6
130.95284	0.4
139.00372	3.6
157.01411	5.2
161.04527	0.3
175.02464	100.0
176.02797	1.8
176.18137	0.3
197.15472	0.4
211.13338	0.4
223.13521	0.4
225.14856	0.8
235.17201	0.4
237.14963	0.5
241.14378	2.0
247.13396	0.5
261.14856	0.8
263.16461	0.4
265.14563	0.7
277.21729	5.5
289.14410	0.6
387.12552	0.4
397.13455	1.0
415.14694	0.6
911.50372	0.7
927.49329	7.3
928.50330	0.7
941.50970	3.1
945.50714	2.7
965.50391	1.6
983.52167	5.3
985.50250	1.3
1027.51611	1.1
1045.52283	0.7
1048.07581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00904	0.6
74.02470	9.2
81.04588	0.6
81.87472	0.1
82.02977	1.0
83.02491	0.2
84.04556	0.4
85.04072	0.2
86.02471	3.1
86.06126	0.5
86.99113	1.0
87.05637	1.8
88.04032	0.2
90.00178	0.8
91.12753	0.1
95.02522	0.3
95.06170	0.1
96.04558	0.3
97.04079	1.2
98.02483	0.2
98.06097	0.2
99.05640	7.0
100.00435	0.2
100.04052	0.1
101.07213	1.3
102.05618	1.3
107.06166	0.4
108.04576	0.1
109.04065	1.7
109.07726	0.4
110.02489	0.2
110.06033	0.1
111.03293	0.1
111.05621	0.6
112.04044	0.9
113.03581	0.3
113.07180	0.2
116.01761	0.9
120.01241	0.3
123.05630	1.0
124.04022	0.6
125.03573	1.0
126.01964	0.4
127.05135	1.6
128.03535	22.0
129.03871	0.2
129.99701	0.4
131.04614	0.3
135.05658	2.5
137.07187	0.4
139.01450	0.1
139.05119	0.2
141.06705	1.8
143.04616	28.9
144.01270	0.1
144.04977	0.1
145.06192	1.3
146.04581	2.6
149.07172	0.4
153.06685	2.0
155.08282	0.4
160.00734	8.7
161.01144	0.1
166.09840	1.5
167.04631	2.3
167.08287	1.3
170.03314	0.6
171.04126	0.4
171.07755	0.5
177.03387	2.9
179.04616	7.8
180.04970	0.2
180.07718	0.2
181.06190	0.9
184.10919	0.5
185.05672	1.3
192.07774	0.7
197.05663	0.9
198.08823	0.5
199.07208	0.1
209.11766	0.5
210.08832	6.5
211.08971	0.1
213.03371	0.2
228.09917	0.4
230.01500	0.2
231.04398	0.3
236.06738	0.2
236.10010	0.1
242.07825	0.7
254.07811	7.8
259.49237	0.1
272.08862	14.5
273.09253	0.3
277.21722	0.6
288.06570	5.6
288.09851	0.3
289.06601	0.2
304.06177	0.1
306.07626	100.0
307.07895	2.5
427.90543	0.1
521.09344	0.1
780.30414	0.1
927.98029	0.2
968.51233	0.2
1012.50873	0.5
1030.51550	6.4
1031.51453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36585	0.2
72.00906	0.5
72.04534	0.1
74.02468	8.3
81.04565	0.7
82.02984	1.3
82.67751	0.2
84.04535	0.4
85.04085	0.3
86.02469	3.2
86.06087	0.3
86.99080	1.1
87.05631	1.9
88.04038	0.3
90.00204	0.7
95.02532	0.4
96.04559	0.2
97.04072	0.9
97.07704	0.2
99.05637	7.7
100.00432	0.2
101.07203	1.5
102.05602	1.3
107.06149	0.6
108.04540	0.1
109.04079	1.8
109.07713	0.5
110.02447	0.2
111.03271	0.2
111.05653	0.7
112.04050	0.9
113.03561	0.6
116.01752	0.6
120.01267	0.3
121.04118	0.2
123.05676	0.8
124.04034	0.7
124.07713	0.4
125.03568	1.2
126.01978	0.3
127.05125	1.8
128.03537	22.8
129.03903	0.3
129.99698	0.2
131.04631	0.5
135.05641	2.8
137.07187	0.4
139.01483	0.2
139.05145	0.3
139.08733	0.2
141.06700	1.9
143.04617	29.2
144.01259	0.2
144.04980	0.2
145.06180	1.5
146.04588	3.2
149.07204	0.4
153.06703	2.1
155.08270	0.3
160.00731	8.4
164.08234	0.2
166.09837	1.4
167.04610	2.5
167.08234	1.7
170.03308	0.4
171.04065	0.5
171.07875	0.4
177.03377	2.8
179.04613	7.7
180.07761	0.2
181.06215	0.7
184.10896	0.6
185.05690	1.2
192.07785	0.7
193.06302	0.2
197.05653	0.7
198.08859	0.4
199.07233	0.3
209.11794	0.7
210.08835	6.3
213.03355	0.3
228.09846	0.4
231.04492	0.2
242.07848	0.6
254.07809	7.9
255.08128	0.3
272.08862	13.6
273.09244	0.4
277.21695	0.2
281.77466	0.2
288.06589	5.6
289.06778	0.2
306.07632	100.0
307.07822	2.7
346.52240	0.2
408.96680	0.2
514.99231	0.2
1012.50665	0.5
1030.51563	7.1
1031.51929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51955	0.9
83.01388	1.3
85.02966	1.2
87.00845	0.6
93.03431	0.6
95.01370	0.7
97.02923	0.8
99.00890	0.9
108.02168	0.7
109.02959	6.3
111.00887	1.5
113.02441	1.1
121.02943	0.7
123.04531	0.9
125.02415	1.0
133.02931	2.4
134.03741	1.8
135.04520	41.9
136.04857	0.8
137.02437	9.8
139.04005	1.7
141.01984	4.4
151.00328	0.8
151.03964	1.7
152.04741	2.5
153.01942	3.1
161.02431	8.9
163.04016	0.8
165.01917	10.4
165.99097	1.4
166.02582	1.0
166.99725	0.7
167.03487	1.9
179.03488	35.6
180.04111	2.2
181.01466	5.1
181.05064	8.7
182.02199	51.1
182.42354	0.6
183.02968	64.7
184.03778	3.5
193.01385	1.0
193.05080	0.7
194.02187	0.9
195.03011	3.0
196.03824	1.4
200.34306	0.5
203.03461	4.8
206.06120	0.7
207.03114	0.6
208.03743	20.0
209.04512	13.3
221.04646	0.9
225.04027	1.0
229.05042	0.8
269.88647	0.6
271.02557	0.7
284.03107	1.1
285.04059	6.5
286.04507	1.5
287.84619	0.7
301.03149	0.8
303.07159	2.2
318.07455	2.0
323.07617	2.2
327.07101	0.9
341.08701	1.6
345.08234	100.0
346.08505	3.9
362.06299	1.0
371.09824	21.8
372.10046	1.6
433.07547	1.0
461.07004	2.1
503.11926	35.1
504.12323	2.7
525.12469	69.0
526.12720	3.9
567.24274	1.3
593.15155	1.1
594.15472	1.3
595.15759	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	1029.25
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03951	0.9
81.03445	0.9
83.01389	3.5
83.05049	0.4
85.02937	0.9
93.03441	1.0
95.01390	0.9
95.05003	0.6
97.02939	1.2
99.00884	2.8
101.02478	0.3
107.67432	0.3
108.02132	0.4
109.02946	2.7
110.00108	0.7
111.00870	3.7
111.04531	0.6
113.02431	0.7
115.00349	1.7
119.05010	0.8
121.02965	2.4
122.03704	0.5
123.00902	0.8
123.04474	0.6
123.60482	0.3
124.01669	0.6
125.02409	1.1
128.03561	1.6
133.02919	1.1
135.04526	0.9
136.98793	0.8
137.02440	7.7
139.00380	2.9
139.04024	1.9
140.01144	1.0
141.01935	5.8
143.04550	0.4
147.04498	0.8
151.04030	1.0
153.01926	12.0
154.02669	0.5
155.03473	0.6
161.02403	0.4
161.06081	0.4
163.04004	1.1
165.01921	8.7
165.97818	0.3
165.99045	1.6
166.02666	0.5
166.99823	1.5
167.03490	1.3
174.03256	0.3
175.02525	0.6
175.03943	0.6
177.01906	0.7
179.03453	0.6
181.01416	19.4
182.02197	85.9
183.02963	93.8
184.03323	2.0
187.03981	0.3
193.01360	0.4
193.05016	0.6
194.02199	0.9
195.02966	3.0
198.96266	0.3
204.82745	0.3
207.02972	1.0
207.04890	0.4
209.04559	0.4
219.03008	0.7
219.98244	0.3
225.03992	1.0
241.05109	0.6
242.05795	3.3
249.03786	0.3
257.08249	2.2
261.06216	0.5
285.11215	1.4
290.86795	0.3
296.06979	1.0
304.06119	2.6
305.06659	0.4
309.06369	0.4
311.09213	1.3
327.07178	12.4
328.07684	0.7
337.07101	1.5
345.08234	100.0
346.08551	4.1
355.08240	0.8
373.09387	0.9
425.07208	6.6
443.08173	1.5
455.37369	0.3
483.49063	0.3
491.11990	1.1
611.18719	0.3
631.63190	0.3
657.18103	0.7
683.16101	14.9
684.16943	1.5
701.16949	1.4
771.16437	4.5
845.21051	0.7
1029.25012	8.3
1029.45630	0.5
1030.25305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.3
74.02485	0.1
75.00887	0.1
77.03947	0.3
83.01387	0.8
85.02950	0.2
85.33988	0.1
93.03458	0.2
95.01422	0.3
97.02946	0.7
99.00890	0.6
101.02457	0.1
104.41512	0.1
108.02151	0.1
109.02968	0.3
110.00089	0.2
111.00889	0.8
111.04552	0.1
113.02489	0.1
121.02953	0.6
123.00940	0.2
123.04509	0.3
125.02446	0.2
127.04047	0.1
128.03506	0.1
129.01962	0.1
132.02138	0.2
133.02954	1.4
134.03761	0.8
135.04524	2.9
136.98801	0.2
137.02438	2.5
139.00369	0.9
139.03999	0.7
140.01120	0.4
140.73834	0.1
141.01944	1.6
143.04623	0.2
145.02922	0.2
151.00356	0.2
151.03995	0.4
153.01930	1.8
155.03554	0.2
160.01608	0.1
161.01123	0.2
161.02437	3.6
162.02823	0.2
163.04008	0.1
165.01920	3.9
165.05510	0.5
165.99091	0.8
166.99820	0.7
167.03552	0.4
175.02589	0.1
175.03989	0.2
177.01897	0.3
179.01929	0.1
179.03471	2.5
181.01424	2.6
181.04997	0.2
182.02197	47.5
183.02963	54.7
184.03299	1.1
186.01727	0.3
192.73807	0.1
193.05083	0.6
194.02240	0.2
195.02991	1.7
203.03442	0.1
207.02986	0.3
207.05101	0.4
215.94267	0.1
219.02956	0.2
225.04042	0.3
234.01604	0.7
235.02406	0.3
237.04005	0.1
261.06158	0.2
285.05966	0.1
303.07233	0.2
306.07672	0.5
323.07745	0.4
327.07147	0.4
345.08228	100.0
346.08539	3.5
397.07571	0.7
473.14621	0.3
507.04205	0.1
507.11380	2.1
512.35742	0.1
517.13464	2.7
518.13879	0.2
518.21954	0.2
630.78931	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	1019.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	0.2
83.01379	0.4
85.02939	0.2
85.19707	0.2
89.02493	0.2
90.40833	0.1
95.01365	0.2
97.02962	0.4
98.20010	0.3
99.00841	0.3
109.02946	0.3
111.00886	0.5
111.04455	0.2
119.05022	0.2
121.02976	0.3
123.04489	0.3
133.03003	0.2
135.04492	0.3
136.98885	0.2
137.02440	1.7
139.00398	0.4
139.04048	0.4
141.01923	1.1
151.03964	0.4
153.01941	1.6
155.03502	0.3
161.02478	0.4
163.04048	0.3
165.01935	2.6
165.99072	0.6
166.99886	0.3
167.03481	0.2
177.01938	0.4
179.03490	0.4
181.01413	3.0
182.02202	38.1
183.02969	46.8
184.03285	0.9
195.03014	1.2
207.02985	0.4
207.04916	0.2
225.04056	0.4
265.95700	0.2
303.07642	0.2
327.07123	1.7
345.08240	100.0
346.08548	3.5
347.08801	0.2
491.11963	12.5
492.12338	0.6
527.20776	0.3
671.89276	0.2
675.11713	0.2
945.15466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.4
74.10625	0.4
77.03992	0.5
79.01888	0.4
81.03459	0.7
83.01363	2.1
85.02952	0.6
93.03439	0.5
95.01408	0.5
97.02944	1.0
98.19855	0.4
99.00871	1.0
109.02953	3.0
111.00867	1.7
111.04508	0.4
111.25365	0.3
119.05025	8.5
121.02181	0.3
121.02960	1.8
123.00883	0.6
123.04504	0.7
123.10462	0.3
125.02465	0.6
135.00903	0.6
135.04544	0.7
136.98804	2.3
137.02434	4.8
139.00369	1.4
139.03996	0.9
140.01181	0.5
141.01949	2.4
151.04019	0.4
153.01930	27.1
160.13496	0.3
161.02505	0.5
163.03995	7.5
163.05247	0.5
165.01915	6.4
165.99055	0.7
166.02667	1.1
166.99840	0.9
167.03493	0.9
177.02026	0.8
179.03348	0.5
181.01419	42.6
182.02199	52.9
183.02968	57.1
184.03320	1.2
194.02174	0.6
195.02998	1.6
207.02975	2.3
207.04767	0.5
215.72815	0.3
219.02977	0.3
225.04024	1.4
235.02531	0.4
237.03995	0.6
249.04019	1.0
281.24634	0.3
285.06134	0.8
301.01602	0.3
327.07190	54.4
328.07538	1.9
334.60144	0.3
345.08237	100.0
346.08572	3.5
491.11917	43.4
492.12283	2.6
842.62360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37853	0.3
70.38253	0.4
71.01379	0.2
72.00904	0.5
73.89768	0.2
74.02470	9.7
78.95897	0.4
81.04587	0.8
82.02982	1.4
84.04537	0.5
85.04091	0.4
86.02470	3.9
86.06122	0.6
86.99091	1.4
87.05628	1.9
88.04031	0.5
90.00195	0.9
95.02493	0.2
96.04531	0.2
96.96014	0.2
97.04070	1.1
98.20647	0.2
99.05637	7.9
100.00381	0.3
100.04013	0.2
101.07198	1.4
102.05606	1.3
107.06150	0.7
109.04070	2.0
109.07716	0.5
110.02444	0.2
111.05650	0.8
112.04036	1.0
113.03576	0.5
116.01754	1.0
120.01240	0.5
123.05640	1.0
124.04044	0.7
125.03548	1.1
126.01986	0.6
127.05151	1.8
128.03531	24.6
129.03885	0.3
129.99686	0.6
131.04597	0.3
135.05634	3.1
137.07201	0.6
139.01508	0.2
141.06686	2.3
143.04614	31.1
144.01195	0.2
144.04918	0.4
145.06184	1.4
146.04581	3.1
149.07162	0.2
153.06689	2.6
155.08247	0.4
160.00728	8.9
166.09843	1.3
167.04616	2.7
167.08244	1.4
170.03323	0.7
171.04076	0.3
171.07762	0.6
177.03366	3.0
179.04610	7.6
180.04982	0.2
180.07736	0.2
181.06197	1.1
184.10895	0.4
185.05624	1.2
190.71201	0.2
192.07742	0.7
197.05580	1.1
198.08846	0.6
209.11797	0.4
210.08835	6.8
211.13390	0.2
213.03410	0.3
228.09850	0.4
231.04338	0.3
242.07758	0.8
254.07806	8.5
271.23123	0.2
272.08853	15.0
273.09024	0.2
277.21692	0.4
288.06598	6.5
306.07620	100.0
307.07889	2.3
320.09174	0.5
327.03372	0.2
615.50842	0.2
691.37927	0.6
778.80719	0.2
930.65961	0.2
952.52795	0.2
996.51587	0.3
1014.51868	3.0
1015.52313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	0.4
72.00907	0.6
74.02469	9.2
81.04575	0.7
82.02973	1.3
82.35207	0.2
84.04531	0.4
85.04071	0.3
86.02474	3.7
86.06113	0.5
86.99086	0.9
87.05640	2.4
88.04036	0.3
90.00204	1.0
93.04560	0.2
95.02495	0.3
96.04552	0.3
97.04097	1.2
98.19888	0.5
99.05637	8.8
101.07208	1.3
102.05609	1.2
107.06125	0.4
109.04077	2.0
109.07702	0.6
110.02494	0.4
111.03268	0.3
111.05630	0.7
112.04053	1.0
113.03555	0.3
113.07242	0.2
113.72206	0.2
116.01770	0.8
120.01304	0.3
121.04050	0.2
123.05643	1.1
124.04038	0.8
124.07645	0.2
125.03573	1.3
126.01958	0.6
127.05121	2.0
128.03534	24.2
129.03877	0.3
129.99683	0.3
131.04614	0.4
135.01970	0.2
135.05650	2.9
137.07196	0.7
141.06697	2.2
143.04614	31.0
144.04984	0.4
145.06174	1.6
146.04581	3.5
149.07234	0.2
153.06703	2.2
155.08289	0.3
158.15273	0.2
160.00726	9.0
166.09875	1.5
167.04601	2.6
167.08253	1.6
170.03334	0.5
171.04121	0.4
171.07771	0.6
177.03384	3.1
179.04611	7.8
180.04974	0.2
180.07846	0.2
181.06113	0.8
184.10878	0.4
185.05685	1.1
192.07813	0.6
197.05676	0.9
198.08850	0.3
210.08820	7.2
211.13445	0.2
213.03485	0.3
216.28522	0.2
228.09795	0.3
228.28632	0.2
228.67085	0.2
231.04640	0.4
231.56956	0.2
241.23581	0.2
242.07832	1.0
254.07809	8.1
255.08159	0.2
272.08859	15.5
277.21747	0.3
288.06577	5.5
292.69409	0.2
306.07626	100.0
307.07932	2.3
320.09283	0.5
342.23425	0.2
515.32983	0.2
691.38458	0.4
996.51050	0.3
1014.52045	3.6
1015.52063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67984	0.2
71.51903	0.2
72.00904	0.6
74.02469	9.9
75.28739	0.2
81.04581	0.6
82.02991	1.2
83.83202	0.2
84.04546	0.5
86.02470	3.3
86.06119	0.5
86.99093	1.0
87.05635	2.5
88.04069	0.4
89.43526	0.2
90.00204	0.9
95.02462	0.2
97.04070	1.3
99.05639	7.4
101.07196	1.3
102.05603	1.3
107.06142	0.4
109.04054	1.2
109.07690	0.5
110.06061	0.2
111.05634	0.6
112.04040	1.1
112.69420	0.2
113.03602	0.4
113.07278	0.3
116.01743	1.1
120.01274	0.3
123.05643	1.0
124.04063	0.4
124.07694	0.2
125.03571	0.7
127.05125	1.7
128.03537	25.6
129.03903	0.2
129.99664	0.4
131.04634	0.6
135.05627	1.9
137.07191	0.7
141.06703	2.1
143.04614	33.9
144.04976	0.4
145.06212	1.6
146.04587	3.2
149.07239	0.3
151.00381	0.5
153.06714	2.5
155.08231	0.3
160.00729	9.4
166.09840	1.6
167.04619	2.7
167.08237	1.2
170.03340	0.5
171.04114	0.4
171.07767	0.4
175.02524	0.2
177.03384	3.1
178.99828	0.2
179.03003	0.4
179.04610	8.0
180.05038	0.3
181.06189	1.1
184.10905	0.6
185.05641	1.5
192.07774	0.5
197.05650	1.1
198.08914	0.8
200.80594	0.2
210.08830	7.8
213.03453	0.3
228.09776	0.3
236.06755	0.3
242.07869	0.8
243.02950	0.2
254.07803	7.2
255.07977	0.2
267.05890	0.2
271.02505	2.4
272.08865	10.3
273.09152	0.4
288.06570	4.6
299.01923	4.6
300.02634	0.7
301.03513	3.5
306.07626	100.0
307.07919	3.0
363.16635	0.2
404.14923	21.0
405.14972	0.9
462.07843	1.0
463.08694	0.3
609.14612	4.3
610.15100	0.3
665.58429	0.2
674.32452	0.2
680.89728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	1.2
71.53146	0.1
72.99325	0.1
73.02950	0.2
75.00861	0.4
77.03970	0.8
81.03456	0.7
83.01380	2.5
83.04980	0.2
85.02964	0.7
87.00884	1.2
88.73411	0.1
91.01907	0.4
93.03456	0.6
95.01395	0.6
95.05028	0.3
95.05680	0.1
96.99294	0.1
97.02950	1.3
99.00877	1.6
99.04516	0.2
101.02454	0.4
107.04996	0.1
108.02169	0.2
109.02946	1.4
110.00066	0.7
111.00883	2.4
111.04510	0.3
113.02436	0.6
115.00360	1.6
119.05030	0.9
121.02943	1.6
123.00869	0.6
123.04520	0.7
125.02434	0.7
127.04002	0.3
128.03545	0.3
129.01950	0.3
133.02969	0.3
134.03738	1.2
135.00888	0.9
136.98830	0.7
137.02446	5.0
139.00363	1.9
139.04041	1.2
140.01138	0.8
141.01926	3.9
143.04800	0.5
145.02957	0.3
146.03691	0.2
149.02412	0.2
150.03169	0.2
151.00290	0.1
151.03998	0.8
153.01932	8.0
155.03482	0.5
158.03712	0.2
159.04506	0.4
161.02469	0.2
163.03975	0.6
164.01080	0.2
165.01923	6.4
165.05580	0.2
165.99077	1.6
166.02628	0.4
166.99847	1.1
167.03473	0.8
169.04921	0.2
175.01013	0.2
175.02492	2.6
175.03935	0.3
177.01915	0.6
179.03450	0.5
181.01424	12.7
182.02202	69.8
183.02963	75.2
184.03313	1.6
185.11734	0.2
186.01698	0.5
191.03406	0.2
193.01352	0.2
193.05087	0.7
194.02196	0.4
195.02983	1.8
207.02962	0.7
207.05125	0.4
209.04558	0.2
209.12000	0.2
210.80908	0.1
219.02988	0.3
221.04588	0.1
225.03979	0.6
226.06337	1.2
227.12891	0.2
235.02257	0.2
237.04164	0.3
241.08669	0.9
249.03981	0.2
251.07024	0.7
252.07951	0.2
253.08731	0.2
261.06079	0.3
279.06573	0.3
280.07364	0.5
295.09647	0.4
303.07230	0.4
306.07748	0.8
309.06119	0.3
321.07635	0.2
324.06375	0.2
327.07175	9.4
328.07480	0.4
339.07144	0.7
345.08228	100.0
346.08551	3.5
357.09741	1.4
397.13626	0.2
425.07159	0.7
443.08145	0.2
491.11954	0.5
505.09525	0.2
521.12793	1.5
667.16626	8.7
668.16498	0.7
685.17566	1.1
771.16431	0.3
829.22491	0.3
1013.25659	3.1
1013.45282	0.2
1014.26422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	1.5
74.02474	10.2
80.63929	0.4
81.03437	0.7
82.02984	1.4
83.01380	2.6
84.04541	0.4
85.02930	0.8
86.02453	3.3
86.06071	0.7
86.99080	1.0
87.00863	0.8
87.05624	2.1
90.00197	1.4
93.03442	4.1
95.01356	0.6
96.99286	0.5
97.02947	0.7
97.04051	1.4
99.00859	1.2
99.05637	8.0
100.00431	0.4
100.63153	0.4
101.07201	1.6
102.05589	1.5
107.06127	0.7
108.02204	0.7
109.02955	1.8
109.04067	2.1
109.07692	0.5
110.00107	0.5
111.00884	2.3
111.05638	1.1
112.04031	1.2
113.03587	0.5
115.00399	1.0
116.01742	0.8
117.03478	0.8
119.04999	1.1
120.01269	0.5
121.02914	1.1
123.00893	3.2
123.04522	1.7
123.05622	1.0
124.04018	0.5
125.02443	0.9
125.03574	1.2
126.02038	0.4
127.05155	1.7
128.03534	27.2
129.01927	0.4
129.03867	1.6
133.02959	0.6
134.03751	5.4
135.04614	0.6
135.05617	2.3
136.01654	0.5
136.98787	1.4
137.02451	4.1
137.07170	0.5
139.00375	1.4
139.04039	0.7
140.01117	0.7
141.01930	2.7
141.06712	2.1
143.04613	34.1
144.04999	2.8
145.02982	1.1
145.06175	1.6
146.03656	0.4
146.04617	2.9
147.04710	0.4
149.02409	0.8
149.07185	0.6
150.03223	1.7
151.00365	3.4
152.01218	0.4
153.01927	13.9
153.06744	2.0
159.00934	0.4
160.00732	10.2
161.01111	0.6
161.02414	0.8
161.06039	0.6
163.00366	0.6
163.03999	2.2
164.08266	0.5
165.01938	4.8
165.99062	0.6
166.02708	1.1
166.09851	1.9
166.99902	0.6
167.03448	4.1
167.04642	2.3
167.08243	1.5
171.04036	0.4
171.07680	0.5
173.02400	0.4
175.02451	1.0
175.03860	0.5
177.01965	0.7
177.03363	3.6
177.05609	0.4
178.02718	1.2
179.04654	6.9
180.04913	1.1
181.01414	17.6
181.06161	0.7
182.02194	30.7
183.02969	34.6
184.03351	0.7
184.10913	0.8
185.05789	1.2
186.01660	0.5
187.03909	0.6
188.04781	0.8
189.01927	0.6
190.02681	0.7
190.99847	2.8
191.03577	1.0
192.00630	9.8
192.07825	0.7
193.01381	2.0
193.05035	1.8
193.77774	0.4
194.02193	0.6
195.02921	1.1
197.05624	1.4
199.04056	0.7
205.01384	0.7
206.02180	3.0
207.02928	1.0
207.04901	0.7
209.11780	1.6
210.08813	7.9
211.09190	0.9
215.03391	0.5
216.04269	0.9
217.05067	5.7
219.02914	1.0
226.06210	0.6
228.09953	0.6
229.05093	0.8
233.00905	3.4
234.01672	42.7
235.02449	58.1
236.02711	1.1
242.07759	0.5
243.06493	0.8
244.03738	5.1
244.86630	0.4
245.04529	13.2
246.01556	0.6
246.04977	0.4
247.02448	0.8
251.07155	0.6
254.07805	7.6
255.08151	0.7
269.41263	0.6
272.08875	13.0
273.09198	1.8
280.07358	0.4
285.03790	1.7
288.06592	5.7
289.06708	0.4
295.09875	0.5
300.06488	0.9
306.07635	100.0
307.07892	17.0
308.07471	1.1
327.07260	19.8
328.05640	4.0
329.06613	13.0
330.06921	0.9
345.08237	36.5
346.08627	1.3
357.09753	2.6
397.07718	79.8
398.08014	3.1
407.09842	2.3
425.07019	0.6
491.11926	56.4
492.12320	2.6
521.12933	14.4
522.12878	1.2
523.12708	0.6
667.16815	2.4
685.17389	1.9
980.42743	0.5
981.43951	0.5
1012.45673	1.3
1013.25555	2.6
1013.45825	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	1012.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02975	0.5
71.01379	0.4
71.53129	0.2
72.00910	0.9
73.16826	0.1
74.02468	10.5
77.68858	0.2
80.03825	0.2
81.04585	0.5
82.02973	1.2
82.74880	0.2
83.01403	0.1
84.00896	0.2
84.04545	0.5
85.04068	0.5
86.02473	4.0
86.06129	0.5
86.99099	0.8
87.00855	0.5
87.05630	2.0
87.42675	0.2
87.46140	0.2
88.04037	0.4
90.00192	1.1
93.39469	0.2
93.93799	0.1
95.02525	0.2
95.06153	0.2
95.75268	0.2
96.04554	0.2
97.04072	1.3
98.06098	0.2
99.05636	8.7
100.00419	0.2
101.02435	0.2
101.07198	1.6
102.05618	1.3
107.06145	0.5
109.02930	0.2
109.04071	1.9
109.07720	0.4
110.02488	0.3
111.05640	0.9
112.04030	1.0
113.03572	0.4
113.07243	0.2
115.00373	0.7
116.01749	1.0
120.01237	0.3
123.05616	0.9
124.04046	0.6
124.07697	0.2
125.03559	1.1
126.01978	0.3
126.04307	0.2
127.05118	1.9
128.03537	26.4
129.03867	0.2
129.99695	0.3
131.04613	0.3
135.04654	0.3
135.05630	2.9
137.02425	0.2
137.07211	0.7
139.01439	0.2
139.05106	0.3
141.06686	2.2
143.04614	34.2
144.01273	0.3
144.05002	0.3
145.06189	1.5
146.04596	3.5
149.07161	0.3
153.06677	2.6
155.04681	0.2
155.08284	0.4
160.00728	10.2
161.01051	0.2
163.11185	0.2
164.04492	0.2
166.09857	1.5
167.04616	2.8
167.08258	1.8
170.03317	0.6
171.04074	0.6
171.07750	0.6
175.02513	0.9
177.03372	3.1
179.04610	8.5
181.06216	0.9
182.02187	0.5
183.02995	0.5
184.10837	0.5
185.05655	1.3
192.07773	0.8
197.05687	0.9
198.08730	0.4
209.11801	1.5
210.08821	7.8
211.09187	0.3
213.03436	0.2
228.09799	0.4
231.04454	0.2
235.02394	0.2
236.06793	0.2
242.07828	0.9
254.07806	8.1
255.08078	0.2
262.08450	0.2
272.08862	12.7
273.09167	0.3
288.06546	4.6
304.05902	0.2
306.07626	100.0
307.07925	2.8
338.04474	0.2
345.08185	0.5
357.90546	0.2
397.07794	0.2
403.34494	0.2
423.69751	0.2
429.10294	0.2
918.43213	0.3
950.44635	0.6
962.40143	0.2
980.42981	1.6
994.45026	0.9
1012.45380	7.5
1013.45300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.5
75.00881	0.2
77.03966	0.3
81.03461	0.2
83.01389	1.3
85.02946	0.5
93.03468	0.8
95.01405	0.4
96.96024	0.2
97.02950	0.8
99.00875	0.7
101.95625	0.2
109.02937	0.5
110.00077	0.3
111.00890	1.4
111.04505	0.3
113.02383	0.2
115.43926	0.2
116.92855	0.2
121.02941	1.1
123.00845	0.2
123.04539	0.3
125.02426	0.7
136.98836	0.3
137.01448	0.3
137.02440	2.9
139.00371	1.1
139.04025	0.9
140.01132	0.6
141.01938	2.2
149.02423	0.2
151.03929	0.5
153.01926	3.0
155.03479	0.6
165.01917	4.9
165.99144	0.9
166.02586	0.3
166.99847	0.9
167.03470	0.4
177.01891	0.4
179.03473	0.4
181.01408	4.8
181.05118	0.4
182.02196	52.7
183.02962	55.4
184.03331	1.2
186.01685	0.2
193.05115	0.3
194.02126	0.4
195.02960	2.1
207.03004	0.6
207.05029	0.4
210.87863	0.2
212.11534	0.2
223.07655	0.2
225.04044	0.4
239.10872	0.2
261.06323	0.2
301.03461	0.4
303.07196	0.3
306.07748	0.2
309.06229	0.2
327.07175	2.5
345.08224	100.0
346.08566	4.1
347.08667	0.2
553.42761	0.2
569.16492	0.3
611.17670	1.0
655.16754	1.7
969.38226	0.2
1001.42114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.3
69.07074	3.5
69.19402	3.3
69.19825	1.6
70.02948	0.7
70.06580	1.6
71.01337	0.6
71.04646	0.7
71.04998	8.5
73.01135	1.2
73.62550	0.5
74.00661	1.4
76.02232	47.1
76.04002	3.0
79.05494	14.0
80.05004	2.4
81.03422	31.3
81.07060	34.9
83.04978	2.9
83.06108	3.5
83.08156	0.7
83.08623	10.3
84.04506	17.4
84.08144	0.5
85.01135	0.8
85.02904	2.6
85.04025	2.9
85.06542	3.2
86.00658	2.8
86.06041	0.5
86.99051	3.6
87.02712	0.7
87.04433	0.6
88.02201	2.2
91.05482	21.3
92.01687	1.2
93.06480	0.8
93.07050	14.0
94.06552	1.5
95.04976	15.5
95.08604	7.2
96.04491	0.9
97.01128	4.8
97.02885	2.3
97.06522	4.2
97.10173	2.6
99.02689	0.8
99.05552	1.1
99.08109	0.8
100.02145	1.1
100.85851	0.5
101.04255	0.8
102.05540	2.2
103.05527	0.8
105.07034	11.6
106.06527	0.8
107.04973	4.8
107.08601	8.8
108.04485	0.6
109.02831	0.6
109.06516	4.2
109.07675	0.6
109.10173	5.1
110.06042	0.5
111.02671	6.3
111.04429	1.6
111.08088	4.3
112.02194	1.2
112.03960	1.4
113.00569	0.6
113.03493	0.8
114.03747	2.1
115.05457	1.2
116.01682	20.9
116.07070	0.6
117.07027	4.5
119.04943	1.2
119.08601	6.9
120.08096	0.9
121.06519	4.0
121.10143	5.9
123.02652	1.4
123.08061	1.9
123.11717	4.6
124.02144	0.9
125.04227	0.8
125.09624	1.8
126.03780	0.6
127.02165	0.6
127.03925	0.8
128.06247	0.8
129.06787	4.5
130.05016	13.4
131.04568	2.0
131.08586	8.4
133.06494	2.2
133.10144	10.9
135.08060	1.6
135.11673	3.4
136.03935	1.1
137.04225	3.0
137.05991	0.5
137.09607	1.3
139.02116	0.6
140.75188	0.5
141.04817	1.4
141.06964	0.6
142.03230	9.5
142.07773	1.3
143.02699	0.8
143.08543	1.6
143.35765	0.5
144.01149	10.2
145.06116	2.8
145.10107	3.0
147.04404	1.0
147.08083	2.7
147.11703	4.7
149.04134	0.9
149.09628	3.6
149.13269	6.0
151.11211	4.0
153.06590	1.6
155.08440	0.6
157.10139	5.6
159.08023	0.6
159.11681	4.6
160.00635	0.6
161.09595	0.8
161.13222	0.6
162.02213	34.9
163.03880	0.6
163.11150	1.4
164.07048	0.7
165.12770	1.6
169.10205	0.6
170.02715	5.2
171.11661	0.9
173.09610	0.8
173.13266	1.8
175.11200	5.3
177.03302	10.4
177.12767	4.7
179.04865	40.1
181.06056	2.1
183.11694	1.2
183.13864	1.1
185.03809	1.8
185.13208	0.7
187.05325	3.2
187.13330	2.6
188.03900	0.7
189.03369	1.2
189.11191	0.6
191.08963	0.8
193.12254	12.8
194.15414	1.1
195.13809	2.2
199.07169	1.1
201.12872	0.6
203.14325	0.5
204.08643	0.6
205.12262	1.1
206.15327	1.0
207.11977	0.8
208.06068	0.7
211.13245	1.2
215.04868	3.9
217.10461	1.6
217.12251	0.6
218.15347	1.0
219.13857	1.1
223.13329	1.2
224.16547	0.8
226.12607	1.1
231.04375	1.1
233.05931	14.6
235.11436	3.0
243.16020	1.1
245.05930	3.2
249.14885	1.0
250.12617	1.6
251.10948	0.7
252.14124	8.4
252.16255	0.7
253.12515	1.3
257.17508	1.5
261.14874	0.7
267.15921	20.1
268.19080	0.7
269.17496	5.8
270.15152	4.7
273.14877	0.6
288.06482	0.9
289.04755	0.8
290.15546	0.7
291.06430	2.0
298.14752	0.8
301.14685	0.6
301.20065	6.2
306.07532	1.1
308.09119	100.0
309.09503	1.0
322.10663	1.4
325.15723	0.5
325.21469	1.6
327.17276	1.2
343.22604	4.4
344.19040	0.9
355.16806	0.9
361.23694	1.3
399.19724	0.8
417.26422	4.6
429.20474	1.4
435.27466	32.5
436.26749	0.6
443.28049	2.2
447.21667	1.2
447.27182	0.8
452.13434	1.0
461.29034	38.8
462.29309	0.9
470.14261	0.9
493.31598	2.8
536.30219	2.6
554.31848	1.0
564.30011	0.7
576.26581	0.6
603.27460	0.6
621.31714	1.6
639.33148	27.4
640.32599	0.8
657.23993	0.9
657.34222	11.6
671.35504	1.4
689.35199	1.0
693.33771	0.7
705.33276	0.9
711.35236	4.0
750.35675	1.8
768.37286	7.0
769.35675	0.8
786.38477	52.9
787.38678	2.0
800.39282	2.1
801.38605	1.2
818.40784	5.9
819.39380	1.3
828.38483	0.7
833.39856	0.7
836.38666	0.8
873.40985	0.9
930.42194	2.2
948.43616	14.8
962.44452	1.0
980.45935	3.9
998.44366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	0.3
70.06564	0.2
71.07376	2.4
79.05516	0.2
81.07047	0.6
83.08614	0.2
84.29938	0.2
86.09711	25.8
91.05502	0.3
95.08632	0.3
98.20747	0.5
98.98470	2.0
104.10748	2.3
115.74862	0.1
125.00011	17.8
143.65561	0.2
165.94229	0.2
166.02667	0.1
182.35538	0.1
184.07350	100.0
185.07744	0.3
207.19217	0.2
337.27414	0.3
397.11301	0.2
491.88174	0.1
502.32855	2.0
520.34015	24.0
521.34290	0.4
785.81915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.0
69.07072	24.0
71.01366	0.8
71.04996	5.4
71.23608	0.8
73.02916	2.3
73.06575	0.6
73.36402	0.6
77.03947	1.3
79.05495	61.5
80.05827	0.8
81.03424	9.4
81.07059	86.6
83.04983	8.1
83.08620	11.7
85.02904	11.8
85.06547	4.0
87.04456	0.9
91.03967	5.4
91.05482	46.0
93.07046	73.6
95.04976	9.7
95.08607	50.5
97.02897	9.4
97.06532	11.8
97.10178	6.6
99.04453	1.3
99.08109	3.8
101.02393	0.7
103.05472	1.6
105.04519	2.4
105.06306	1.2
105.07033	34.8
107.04972	4.8
107.08598	44.5
109.02876	1.8
109.06532	6.5
109.10159	21.9
111.04456	1.1
111.08073	4.3
111.11687	0.8
113.05965	0.8
113.09640	1.6
113.20586	0.8
115.03965	0.8
115.05477	1.7
116.06216	1.0
117.07023	16.9
119.04935	0.7
119.08585	27.3
121.06547	4.2
121.10149	28.3
123.08083	3.6
123.11707	6.6
125.09652	3.9
127.03934	5.2
127.07545	0.7
128.06227	1.2
129.05495	1.7
129.07014	5.7
130.07841	1.2
130.57178	0.7
131.08574	23.1
133.06503	2.0
133.10136	23.9
135.08069	3.5
135.11697	20.5
137.09637	3.0
137.13257	1.3
139.11150	1.3
141.07010	2.2
143.08586	6.3
144.09302	1.1
145.04977	2.5
145.10127	17.6
147.08084	1.4
147.11690	13.2
149.09615	8.7
149.13263	16.1
151.11191	3.0
153.09119	1.3
153.12775	0.9
155.08588	2.6
157.10147	7.3
159.08119	1.1
159.11693	15.9
161.09645	2.1
161.13289	5.3
163.06012	2.1
163.11205	4.9
163.14861	3.2
165.09123	0.7
165.12813	2.0
169.10164	3.1
171.11685	4.6
173.04482	2.7
173.09618	1.2
173.11902	0.9
173.13266	8.1
175.11183	1.4
175.14885	2.3
177.12764	3.6
179.14301	1.7
181.10167	1.1
183.11728	2.9
185.13280	2.9
187.11189	1.3
187.14825	3.1
189.11235	1.2
189.16307	1.0
191.14301	0.9
195.11855	0.6
195.13794	3.8
197.13284	1.9
199.14832	1.7
201.16472	1.4
203.14577	0.8
211.14830	1.4
215.18068	1.0
219.17548	1.3
227.12692	3.3
229.14377	3.1
229.19618	2.0
235.17033	1.4
239.18132	1.7
241.19574	1.1
243.21104	2.8
247.20567	1.3
251.16399	1.3
253.18076	0.8
255.15828	7.5
257.18973	4.0
259.20615	2.0
261.22147	12.4
267.16046	2.0
269.17474	30.7
273.18677	0.8
275.16965	1.0
275.20068	19.1
293.21228	1.0
299.23792	0.7
306.37729	0.7
307.59280	0.7
309.20630	2.8
315.23532	0.7
317.24808	2.9
331.22696	2.3
333.24313	1.7
335.25815	95.9
336.26041	1.2
337.27457	1.2
339.17813	0.7
349.23755	23.1
351.25293	0.8
367.24826	4.8
395.20468	1.2
397.02090	0.7
413.21585	3.2
437.34195	1.9
444.87851	0.7
455.35349	0.9
489.35730	2.8
493.37033	0.9
511.28745	0.8
511.38181	1.5
515.37360	18.8
529.38916	100.0
530.39209	2.1
533.38757	1.0
543.40851	0.9
547.40039	0.9
569.42023	10.0
587.13745	0.9
609.45123	36.6
610.45428	1.2
627.46277	12.8
637.40210	0.8
649.39569	1.2
673.42719	2.8
691.43658	0.9
756.59448	0.7
771.49945	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	985.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	5.3
70.06599	0.1
74.25027	0.0
76.02225	0.1
76.38072	0.1
79.05508	0.1
81.03424	0.2
81.07087	0.1
82.29000	0.1
84.04502	0.1
85.02937	0.3
91.05487	6.1
93.03394	0.1
95.04955	0.1
97.02906	0.6
98.20732	0.1
99.04456	0.2
99.05017	0.1
103.03990	0.1
107.04955	0.2
108.38284	0.1
109.02875	0.3
109.10165	0.1
111.04446	0.2
117.73455	0.1
119.04952	16.3
120.05293	0.1
121.02876	0.6
121.10139	0.1
123.04522	0.1
124.87305	0.1
125.02354	0.1
127.03928	2.7
130.05023	0.1
131.04883	0.1
133.06477	0.1
136.01584	0.2
139.03914	0.7
141.07011	0.1
143.03442	0.2
145.06511	0.1
147.04422	100.0
148.04747	0.7
149.02356	1.3
157.06503	0.1
163.03955	0.2
165.05486	0.9
167.03415	4.4
173.06012	0.1
185.04468	24.7
186.04848	0.1
187.07555	0.1
191.03464	0.1
197.04483	0.2
201.05376	0.1
203.07062	0.1
209.04469	1.2
213.05472	0.1
221.04413	0.1
231.06604	0.3
251.05472	0.2
263.05496	0.1
267.16025	0.1
273.07520	0.1
275.05429	0.1
276.36227	0.1
291.08652	6.6
292.09238	0.1
293.06522	0.2
308.09262	0.1
309.09705	22.9
310.09808	0.2
311.07611	0.2
455.13544	0.1
455.21426	0.1
736.07910	0.1
747.34210	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	985.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.4
69.03433	81.9
69.07069	0.4
70.03748	0.2
70.93062	0.4
71.01360	2.3
71.04996	1.5
73.02921	1.7
73.62689	0.2
76.02240	1.3
79.05505	0.8
81.03422	9.3
81.07070	1.3
83.01363	1.3
83.04990	0.4
83.08619	0.2
84.04505	0.7
85.02908	46.7
86.48421	0.2
87.04462	1.7
89.02367	0.3
91.05485	8.3
93.03404	0.4
93.07055	0.7
95.01316	0.3
95.04975	2.5
95.08603	0.3
97.02898	16.3
99.00819	9.2
99.03845	0.3
99.04464	4.8
101.02392	2.5
103.03947	0.3
105.07049	0.4
107.04959	7.9
107.08612	0.3
109.02885	19.6
111.02715	0.3
111.04453	0.5
113.02354	0.4
115.03927	1.3
115.05447	0.3
116.01691	0.7
117.01874	4.4
117.06969	0.3
119.04953	15.9
120.05743	0.6
121.02895	2.2
123.04420	1.2
125.02363	1.5
127.03924	100.0
128.04297	0.6
129.05536	0.2
130.05028	0.4
131.04926	0.5
131.08464	0.4
133.06432	0.3
135.04428	0.6
136.01604	0.4
137.02342	6.4
139.03917	2.5
142.03262	0.5
143.03445	0.9
144.01186	0.3
144.05702	0.4
145.04968	59.2
147.04428	1.7
149.02351	4.3
149.06001	0.4
149.09605	0.2
149.13268	0.3
151.03934	0.7
155.03427	1.3
157.06519	0.4
161.05949	0.3
162.02209	1.0
163.03949	0.6
163.05936	0.3
165.01801	0.5
165.07069	0.2
167.03418	13.2
167.08597	0.8
169.05043	0.4
170.02792	0.3
171.08023	0.2
173.02377	0.3
175.11133	0.3
177.07033	0.8
179.03384	0.7
179.04898	1.0
181.10223	0.4
183.02899	1.3
185.04466	66.9
186.04797	0.4
187.06087	0.3
189.05415	0.3
191.03481	0.4
191.08557	0.5
193.04930	0.3
193.12257	0.4
194.07249	0.4
195.02890	0.7
195.08040	1.2
197.04453	1.7
203.03424	0.3
205.04958	0.4
207.06496	0.3
209.04465	5.1
209.09668	0.8
212.08244	1.1
213.09116	18.5
219.08054	1.0
220.08873	0.4
221.04494	1.0
223.07626	0.5
223.48073	0.2
225.03964	2.7
225.07327	0.3
225.09230	0.3
233.06194	0.3
233.08080	0.2
235.05962	0.3
237.09105	4.3
243.05014	4.4
245.04269	0.3
247.07626	1.3
249.09140	0.6
251.05443	1.3
252.14156	0.3
253.07092	1.8
261.06091	7.7
263.05505	2.6
263.65616	0.2
265.03787	0.3
265.08606	4.6
267.15979	0.8
271.07947	0.3
279.10181	0.5
281.06586	0.9
293.08246	4.9
299.07657	4.4
308.09131	2.7
309.09473	0.4
310.08719	0.3
311.09271	5.8
321.11224	0.5
327.06946	1.0
329.08664	2.5
339.07117	0.7
339.12177	0.9
359.09644	0.9
369.08273	0.5
387.09296	2.1
405.10306	33.1
406.10770	0.3
447.11188	0.3
455.13419	13.2
456.13367	0.4
461.28738	0.2
479.29587	0.5
581.16876	0.2
625.20880	0.2
639.32727	0.7
657.33527	0.3
658.33148	0.3
711.35120	0.3
786.38678	1.3
787.38544	1.1
948.43555	0.3
949.42975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	6.1
69.06726	1.3
69.07078	14.8
69.60456	1.1
69.60865	3.3
71.04980	1.4
73.02917	1.1
77.03913	0.7
79.05502	29.0
79.60577	0.7
81.03419	4.9
81.07063	30.2
81.80359	0.6
82.70364	0.6
83.04991	2.6
83.08627	7.2
85.02882	3.4
85.06548	1.2
89.94093	0.7
91.03954	1.1
91.05487	19.9
93.07053	29.3
95.01337	1.0
95.04990	6.1
95.08615	22.8
97.02909	9.4
97.06541	2.4
97.10180	7.3
98.21519	0.9
105.07041	14.2
107.04961	5.8
107.08605	16.0
109.06551	2.2
109.10164	12.3
111.08096	1.6
117.07038	6.3
119.04939	1.1
119.08588	13.7
121.06498	1.9
121.10161	10.7
123.04401	0.7
123.08080	2.3
123.11734	2.8
125.09663	5.0
127.03921	1.1
128.06158	1.1
129.07011	2.4
131.08589	6.3
133.06477	1.8
133.10155	6.7
135.08099	2.3
135.11702	6.5
137.09633	1.8
143.08603	2.6
145.06454	1.1
145.10146	7.1
147.08072	3.7
147.11690	4.5
149.09709	1.2
149.13235	3.4
155.08583	0.8
157.10144	2.7
157.35085	0.6
159.11710	3.5
161.09615	1.5
161.13289	2.5
162.10477	1.0
163.11171	1.4
163.14798	1.7
165.09171	0.8
171.10202	0.9
173.13322	1.7
175.11226	2.0
175.14807	1.6
177.12823	1.5
187.14839	1.2
189.11230	2.4
193.12328	1.3
195.11858	0.7
195.13840	1.2
205.12268	1.3
211.13261	1.2
223.13344	14.3
227.12747	3.2
243.21123	2.0
244.33113	0.7
245.19196	0.9
249.14888	2.2
261.22168	5.5
267.15973	1.6
272.20547	0.7
273.18484	8.3
291.19580	67.7
292.20126	0.9
317.24866	2.2
335.25830	66.5
336.26184	1.3
347.22174	2.0
365.23276	41.3
459.27884	1.1
477.28445	1.5
505.35660	1.0
522.66644	0.7
527.37598	1.0
545.38477	4.5
567.41412	1.1
607.43506	2.9
625.44690	100.0
626.45087	2.3
643.45764	1.4
787.50165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	7.8
69.07078	22.2
71.04996	2.2
71.53273	1.3
73.02269	0.9
77.03911	0.8
79.05499	32.9
81.03416	7.3
81.07062	36.0
83.04990	4.5
83.08620	8.0
85.02905	4.6
85.06548	1.0
91.03975	1.4
91.05491	22.9
93.07052	32.9
95.04980	9.4
95.08609	26.0
95.40559	0.8
97.02912	11.3
97.06523	3.7
97.10176	12.2
105.04536	1.0
105.06387	1.5
105.07034	16.3
107.04944	6.1
107.08596	19.2
109.06503	1.6
109.10164	14.5
111.08103	2.3
115.05431	1.0
117.07008	6.9
119.04919	1.1
119.08586	14.5
121.06500	2.6
121.10154	12.2
123.08067	3.6
123.11721	2.7
125.09642	8.5
127.03909	1.8
128.06201	0.8
129.06998	4.5
131.08574	10.8
133.06512	3.2
133.10147	8.4
134.07318	1.0
135.08098	3.8
135.11713	7.4
137.09587	3.9
143.08560	3.7
145.05067	1.0
145.06453	1.1
145.10141	7.3
147.08057	5.5
147.11693	5.8
149.09641	2.2
149.13324	5.1
151.11137	0.8
153.09076	1.1
155.08742	0.8
157.10118	2.7
159.11678	6.2
161.09613	1.9
161.13254	2.1
162.10155	0.7
163.11189	1.8
163.14935	1.4
165.09131	1.6
169.10139	0.8
170.18872	1.0
171.11703	1.5
173.13266	2.5
175.11194	1.7
177.12749	2.5
185.13318	1.0
189.11243	4.2
189.12746	1.1
193.12279	2.6
205.12202	2.0
211.13295	1.3
223.13275	17.9
227.12811	5.2
243.21049	2.0
245.18979	1.2
249.14905	3.9
261.22174	8.8
263.19919	0.8
267.15918	2.6
273.18524	12.3
275.20276	1.2
285.16757	1.0
291.19562	100.0
292.19870	1.2
308.30493	0.8
309.20483	1.1
317.24823	2.7
335.25833	66.0
347.22104	2.7
365.23264	73.0
459.27582	1.0
477.28296	2.7
527.37506	1.9
545.38263	5.1
607.43347	3.1
625.44678	94.8
626.44678	2.2
643.44550	1.2
720.12335	0.9
776.41718	1.3
884.15277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05021	3.6
69.03424	3.0
69.07071	10.5
70.02973	1.7
70.06594	1.7
71.04999	23.5
73.02910	0.9
74.00674	1.8
76.02232	41.0
76.04002	3.4
79.05499	28.0
80.05017	5.4
81.03418	4.6
81.05809	1.9
81.07060	63.5
82.06570	2.6
83.04987	3.8
83.06106	10.2
83.08624	8.5
84.04047	1.8
84.04510	24.8
84.08148	1.6
85.01126	3.6
85.02906	3.7
85.06554	6.5
86.00662	10.7
86.06072	1.3
86.99050	6.4
87.02688	4.1
88.02226	6.3
91.03942	1.2
91.04903	1.8
91.05483	32.1
93.07048	35.3
94.06573	5.3
95.04970	5.1
95.08611	13.4
96.04486	2.5
96.08139	1.6
97.01118	15.2
97.02892	3.1
97.06524	10.7
97.10183	2.7
98.06048	1.7
99.02676	3.4
99.05595	2.7
99.08082	2.6
100.02212	1.9
100.54044	1.0
101.04240	1.1
102.03765	1.5
102.05554	10.0
105.04467	1.1
105.07037	17.4
106.06561	2.3
107.04924	2.3
107.08606	22.0
108.04461	1.5
108.08104	1.8
109.06512	2.3
109.10162	8.6
111.02675	20.8
111.08141	5.4
112.02203	3.0
112.03976	1.7
112.07565	1.3
113.00533	0.9
113.04233	1.3
114.03761	6.9
116.01685	33.7
117.07016	8.3
119.08589	5.7
121.06541	1.9
121.10152	10.2
123.02670	4.7
123.08052	2.3
123.11706	10.6
124.02190	1.5
125.00629	1.0
125.04203	3.0
125.09626	1.8
126.03732	1.1
126.05507	1.3
126.69598	0.9
128.05275	1.4
129.06584	12.7
130.05017	11.2
131.08578	13.6
133.10139	23.3
134.06033	1.4
135.08073	2.2
135.11699	9.1
136.03928	5.4
137.04205	11.2
139.05814	1.1
141.04848	3.2
141.06703	1.0
142.03232	15.7
142.04932	1.2
143.02750	2.6
144.01143	13.3
145.06123	2.3
145.10146	2.1
146.02687	1.2
147.11722	2.8
149.04202	2.5
149.09595	3.7
149.13269	20.5
151.05775	4.0
151.11176	11.1
152.13107	0.9
153.06577	3.6
155.62109	1.0
156.06575	1.3
157.10139	2.3
159.11691	15.6
161.04268	2.8
162.02219	33.1
163.03903	2.2
163.05788	1.3
165.07318	1.6
168.13817	3.9
170.02715	6.2
173.13240	2.9
175.11208	2.1
176.07063	1.0
176.14426	1.4
177.05453	1.5
177.12761	15.5
179.03450	1.2
179.04872	21.5
181.06088	3.5
183.08379	2.0
183.13795	3.1
186.07550	1.7
187.05391	6.6
187.13307	5.4
188.03831	1.5
189.03349	6.5
189.07349	1.4
190.15974	2.0
191.08939	2.8
193.06094	2.2
194.15463	4.2
195.13730	8.4
198.14876	2.0
199.05373	1.6
199.07196	1.3
201.12851	1.1
204.13911	1.2
205.06377	5.0
206.15427	2.5
207.11966	4.7
208.06073	1.8
208.17024	1.2
209.09938	2.6
209.13655	1.2
212.16534	1.3
215.04875	7.8
217.10458	3.5
218.04675	1.3
218.15399	3.5
223.11491	2.2
224.14641	2.3
224.16502	3.6
225.13000	1.9
225.15030	1.1
226.12599	7.2
227.04817	1.2
233.05923	8.8
234.12910	1.3
234.14975	2.3
235.11479	10.9
237.13095	2.6
238.07091	1.2
241.12619	1.3
243.04422	1.2
243.15886	2.4
245.05984	5.3
252.14079	25.3
253.12564	6.2
257.17590	5.9
266.12195	1.1
268.18936	1.4
269.17538	12.5
270.15149	16.3
280.13654	2.1
286.20279	1.9
289.04889	2.5
291.06412	1.6
292.13687	1.4
298.14835	3.3
300.16321	1.8
301.20126	12.3
308.09085	12.0
308.16626	1.7
309.14987	1.4
312.12683	2.0
318.15005	1.4
326.18036	3.6
327.17426	5.2
336.16132	1.5
344.19061	3.8
355.16663	3.5
373.17682	1.5
381.18460	1.5
386.26273	1.0
399.19614	2.5
427.19214	1.8
429.20425	3.4
437.29022	11.9
447.21390	3.0
451.30615	2.0
463.30429	3.9
472.05136	1.0
494.29135	1.1
495.33035	3.5
501.22488	1.3
502.22052	2.1
531.22144	1.1
538.32513	1.2
570.34790	8.8
576.26001	3.2
588.35468	5.6
594.25671	1.1
597.31726	4.6
598.32880	1.0
606.15051	1.1
615.33295	6.6
623.33508	3.3
641.34656	48.9
655.35834	6.8
659.35358	1.0
673.37323	92.4
674.37097	2.0
691.38373	17.3
695.35553	2.8
713.34845	1.5
715.37537	1.4
727.37952	2.4
744.36951	3.0
745.39240	14.7
752.37964	7.6
770.38934	85.5
771.38702	2.0
784.39655	2.6
788.40405	4.9
802.41632	31.9
803.39838	6.0
820.42621	100.0
821.43054	3.2
835.41711	2.7
853.42853	4.1
898.43744	2.1
907.43420	3.4
931.78229	1.1
932.44910	7.4
964.46826	5.2
982.47998	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	970.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	5.1
69.07076	21.8
71.53281	3.7
73.02918	3.2
76.28920	2.7
79.05077	3.9
79.05505	63.5
81.03419	3.3
81.06593	4.3
81.07063	87.1
83.04993	4.9
83.08614	11.8
85.02900	12.0
85.03523	2.1
85.06539	4.2
87.04533	2.7
91.03953	11.0
91.05486	67.5
93.06481	5.3
93.07050	86.0
95.04983	2.9
95.08611	57.0
97.02883	9.1
97.06520	5.5
97.10136	4.1
98.06619	2.6
105.04558	3.4
105.06397	5.2
105.07037	58.8
107.04981	3.6
107.08604	48.4
109.06515	4.8
109.10168	23.3
109.70244	2.7
117.07014	20.4
119.08585	50.3
121.06541	2.8
121.10155	36.0
123.11710	7.1
125.09550	2.8
127.03859	4.5
128.06177	3.4
129.07022	9.5
131.08572	30.0
133.10136	43.2
135.11687	21.7
142.07816	3.3
143.08569	9.5
145.04987	3.2
145.10130	29.0
147.11691	35.1
149.13283	14.0
155.08531	4.5
157.10121	11.9
159.11723	27.2
161.13246	23.0
163.06015	8.3
163.14799	6.3
169.10162	5.0
170.83165	2.8
171.11728	10.6
173.13252	19.5
175.14769	10.8
181.10240	2.6
183.11586	5.4
185.13293	9.9
187.14848	7.7
199.14851	6.8
201.16594	3.4
209.13329	3.7
231.21059	7.3
239.17964	3.8
241.19572	22.3
241.92737	2.7
243.21042	3.3
257.19025	6.5
259.20578	53.7
261.22272	13.7
277.21805	4.0
300.59894	2.5
315.23251	5.4
317.24631	2.7
333.24203	51.4
335.25818	90.3
336.26028	3.4
337.21701	2.8
337.27298	8.0
433.16428	2.7
519.41974	5.9
536.67639	2.8
537.42834	4.9
593.45673	12.6
609.44550	3.4
611.46722	100.0
635.47382	3.3
703.64081	2.8
737.49969	4.3
755.49390	3.7
790.80896	3.3
929.89587	2.9
970.58228	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	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	61.2
69.03429	2.4
69.07076	14.9
71.04991	2.2
71.08615	0.8
71.52790	0.7
73.02918	4.5
77.03921	0.6
79.05499	42.0
81.03428	1.6
81.07063	60.9
83.04977	1.4
83.08624	8.5
84.24027	0.7
85.02908	16.6
85.06532	2.1
91.03963	11.7
91.05490	25.2
93.07050	46.9
95.04990	3.5
95.08614	54.2
97.02898	9.9
97.06535	2.7
97.10166	3.3
97.24798	0.5
99.04453	1.4
99.08089	1.7
103.05477	0.8
105.04537	1.8
105.07043	22.0
107.08598	27.3
109.02882	0.6
109.06512	1.7
109.10161	22.7
111.08082	1.0
111.11713	0.6
113.09652	0.9
115.03940	0.9
117.07012	8.0
119.08592	18.8
121.10152	22.3
123.08042	1.0
123.11703	9.0
125.09666	1.0
127.03900	3.8
129.07022	2.2
131.08588	13.8
133.10135	14.0
135.08133	0.7
135.11691	14.8
137.09639	0.9
137.13310	3.1
139.11151	0.6
143.08580	1.7
145.05008	5.4
145.10139	10.4
147.11703	11.0
149.13248	7.7
151.14903	1.3
157.10135	2.3
159.11707	9.9
161.13263	8.8
163.06041	6.6
163.14853	4.9
169.10194	1.1
171.11732	2.9
173.13264	9.4
175.14815	4.8
177.12868	1.0
177.16380	1.1
183.13231	0.6
185.13248	2.1
187.14780	3.7
189.16368	1.3
191.14357	0.8
197.13290	1.0
199.14822	2.3
201.16399	1.9
203.17915	1.1
205.02040	0.6
213.16449	1.7
215.17973	1.5
217.19554	0.7
225.16475	0.9
231.21140	1.0
233.22725	0.9
241.19632	4.1
243.21114	5.0
245.22647	0.8
247.20621	0.7
259.20599	10.8
261.22165	21.2
263.23709	2.0
268.37070	0.5
277.21738	0.8
279.23209	1.1
299.23645	0.7
299.61920	0.7
315.23279	1.1
317.24759	2.7
333.24298	8.7
335.25830	100.0
336.25989	0.9
337.27426	12.6
489.35910	0.7
503.36896	0.8
515.37238	0.7
521.43573	4.2
531.40808	0.9
539.44781	0.8
543.40521	1.4
595.47205	18.0
613.48309	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	45.3
69.03420	4.4
69.07080	10.9
71.04974	1.6
71.52840	1.6
73.02927	2.1
78.14130	1.0
79.05498	36.0
81.03416	3.0
81.07063	44.8
83.04982	2.6
83.08624	8.0
85.02913	10.7
87.04498	1.4
91.03953	4.0
91.05486	45.8
93.07048	37.9
95.04971	5.9
95.08609	33.5
97.02908	5.8
97.06561	6.3
97.10177	4.0
103.05455	2.9
105.04489	1.4
105.07036	31.5
107.04959	2.5
107.08611	17.8
109.06525	9.9
109.10155	9.8
111.08106	5.6
111.22077	1.1
115.05445	4.9
116.06211	1.2
117.07030	22.4
119.04977	1.6
119.08585	20.4
121.06516	4.8
121.10162	12.8
123.08079	6.4
123.11755	1.6
123.17040	1.3
125.09657	2.6
127.03939	2.6
128.06236	12.5
129.07013	13.4
130.07779	5.2
131.08578	36.3
133.06502	7.4
133.10129	11.0
135.08061	3.3
135.11700	6.2
137.09651	1.9
139.11223	1.4
141.06990	5.3
142.07756	3.7
143.08569	34.7
144.09259	1.2
145.04973	1.3
145.06480	2.2
145.10133	37.3
147.08049	8.1
147.11720	6.4
149.09569	3.2
149.13246	3.4
151.07581	1.7
154.07782	1.5
155.08553	4.6
157.10136	12.7
159.08063	3.1
159.11716	13.7
161.09619	9.5
161.13289	2.1
163.11189	3.0
165.07036	1.5
165.12703	1.3
167.08527	1.7
169.10150	6.2
171.08147	1.3
171.11702	7.2
173.09644	4.6
173.13228	2.6
175.11218	6.1
177.12764	6.3
181.10117	7.2
182.10880	2.1
183.11662	6.6
185.09589	1.3
185.13240	3.2
187.11272	1.4
193.64185	1.1
195.11725	10.9
199.11244	2.1
199.14839	1.1
201.12753	1.9
209.13362	2.1
213.12653	2.6
215.94997	1.1
227.17969	3.7
237.16362	11.6
245.19051	4.6
255.17476	16.5
256.19061	1.2
257.19028	1.5
261.22189	3.4
271.16946	1.5
273.18506	51.7
329.21210	5.0
335.25824	100.0
337.27609	1.4
347.22205	32.1
417.22357	1.2
435.23846	1.3
479.68683	1.2
526.08063	1.2
607.43567	74.3
608.43958	2.1
625.44653	8.2
769.48950	2.1
787.49677	3.8
858.20697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	91.2
68.13078	2.4
69.03437	13.4
69.06723	3.5
69.07070	41.8
69.15966	25.3
70.98576	2.2
71.01346	5.8
71.04993	7.9
73.02930	3.5
78.79457	2.0
79.05496	93.5
81.03425	41.3
81.07058	100.0
83.01349	3.2
83.05002	14.3
83.08626	28.3
85.02908	14.5
85.06553	7.6
91.05482	83.8
93.03384	4.6
93.07046	81.1
95.01334	27.2
95.04974	35.2
95.08610	45.0
97.02899	14.0
97.06541	21.2
97.10173	23.1
98.21478	4.5
99.04476	2.4
99.08101	3.2
101.02431	3.5
103.05454	6.1
105.03420	4.4
105.04521	3.3
105.07037	68.2
107.04961	33.0
107.08594	51.9
109.02898	11.9
109.06513	13.5
109.10156	30.2
111.04443	6.2
111.08076	10.8
113.02337	4.1
115.05480	7.3
117.07024	29.3
119.04955	8.2
119.08585	40.2
119.09371	3.3
120.08742	2.0
121.02872	4.8
121.06491	25.0
121.10141	26.1
123.04452	14.5
123.08069	7.1
123.11730	5.8
125.02337	5.2
125.06003	2.6
125.09640	13.3
127.03873	3.2
128.06194	4.7
129.07007	23.5
130.07785	4.0
131.04918	10.2
131.08574	46.6
133.02840	2.4
133.06497	13.6
133.10133	45.1
135.04420	16.7
135.08057	14.9
135.11713	18.6
137.06009	4.1
137.09605	7.1
139.03925	4.9
139.11168	3.2
141.01831	6.5
141.06969	10.0
142.07790	3.8
143.08571	18.4
145.06444	14.0
145.10132	28.6
147.04396	21.0
147.08040	11.7
147.11691	18.8
149.02284	3.8
149.05975	5.5
149.09627	21.7
149.13242	13.0
151.03966	15.7
151.11287	4.0
152.04216	2.2
153.05501	3.0
153.07024	4.5
153.09123	3.5
154.07712	3.7
155.08571	9.4
155.10614	2.3
156.09187	3.1
157.06477	7.9
157.10126	20.8
159.04420	6.3
159.08072	6.5
159.11691	24.5
161.05984	13.2
161.09662	9.2
161.13277	7.4
163.03946	12.8
163.07559	4.2
163.11218	14.8
165.01707	2.6
165.05525	4.1
167.08571	7.8
169.04955	8.7
169.06386	4.6
169.10150	13.1
171.08032	4.7
171.10399	2.5
171.11711	13.1
173.05972	9.4
173.09628	8.1
173.11732	7.1
173.13251	7.7
175.03922	15.2
175.07564	3.8
175.11200	17.6
177.05484	5.9
177.12717	15.8
179.03426	6.4
179.14377	2.9
181.05025	2.4
181.06516	2.7
181.10078	5.2
183.08017	5.1
183.11723	5.5
184.07347	2.4
185.06078	4.0
185.07838	2.5
185.09634	5.9
185.13263	5.8
187.07536	3.5
187.11166	12.8
187.14650	3.4
189.05460	5.0
189.09196	3.9
189.11186	7.7
189.12637	4.1
191.03354	2.5
193.10680	2.5
193.12207	14.1
195.08040	4.0
195.11801	3.1
195.13814	4.6
197.09662	4.7
197.13260	5.0
199.03949	4.0
199.07613	3.4
199.11212	7.0
201.05516	3.2
201.09082	3.4
201.12697	3.7
203.03366	4.2
203.10683	4.3
205.05034	3.0
205.10245	2.9
205.12216	8.9
207.11790	2.4
207.13826	7.5
209.09740	2.5
211.11334	2.6
211.13269	4.6
213.05421	2.9
213.12738	2.6
215.10750	6.2
217.12212	6.8
223.11061	3.0
225.09109	3.8
225.12781	3.2
227.10741	4.0
227.12700	22.2
229.19650	3.5
231.10193	2.9
233.11826	5.8
239.18034	4.3
241.12285	8.7
243.10204	7.6
243.13808	2.7
245.11681	7.9
245.13873	3.1
247.20638	2.7
251.10422	3.2
251.12691	3.2
253.12228	3.7
253.17975	3.6
255.10130	3.2
255.15891	14.6
257.18994	13.2
259.13269	5.0
261.11234	5.2
267.15952	18.2
269.11664	12.5
269.17514	30.2
271.13318	6.1
273.18423	2.7
274.27612	3.4
275.20056	47.9
279.12415	5.5
287.12741	28.6
289.14340	9.1
291.19370	3.0
293.21143	6.5
297.11148	4.4
305.13763	10.5
306.29193	2.6
315.12286	17.5
323.14813	4.2
331.22659	6.4
333.13370	25.1
349.23776	53.5
351.14389	29.8
367.24680	7.0
369.15555	3.1
389.16245	3.0
407.17001	44.4
425.18100	41.7
427.19427	3.2
435.27072	2.8
443.19177	29.2
461.28979	9.0
493.27768	5.7
541.27734	3.6
541.35205	10.3
545.27271	5.2
559.28857	4.4
563.28119	2.6
573.34576	3.4
577.25836	3.8
587.28790	16.6
595.27350	10.4
597.29169	3.3
601.30005	46.1
603.31122	3.7
605.29633	14.2
613.28345	4.5
619.31085	65.5
623.30347	18.6
625.33044	6.9
637.31995	68.5
641.32642	3.9
645.35132	4.2
653.37000	2.7
655.32648	5.5
663.35370	6.0
671.38361	3.4
678.21875	3.4
681.36334	71.7
699.25885	4.1
699.37274	65.6
700.37231	2.8
710.74225	2.5
717.38452	82.1
735.39636	19.1
745.34058	4.7
763.35242	4.4
781.36261	4.5
861.42682	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	949.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	42.0
69.03445	5.8
69.07074	10.7
71.04976	2.3
71.08606	0.9
71.52985	1.1
73.02902	2.0
79.05500	34.2
79.05968	1.8
81.03387	2.9
81.07063	46.6
83.04982	2.9
83.08642	7.2
85.02911	9.2
85.06527	1.8
91.03968	5.6
91.05488	43.1
93.07051	40.8
95.04977	6.2
95.08614	34.0
97.02895	6.3
97.06525	4.5
97.10180	3.7
99.08045	0.9
103.05438	1.9
105.07043	34.7
107.04974	2.2
107.08600	19.9
109.06529	9.0
109.10173	11.0
111.08085	3.9
115.05460	3.7
116.06279	1.5
117.07028	21.2
119.04954	1.2
119.08590	21.4
121.06510	4.6
121.10153	12.4
123.08093	6.4
123.11687	2.4
125.06020	1.0
125.09637	3.1
127.03845	1.3
128.06238	11.0
128.15654	1.0
129.07021	15.3
130.07826	4.7
131.04868	0.9
131.08578	36.8
133.06506	7.7
133.10155	14.3
135.08081	4.0
135.11711	8.0
137.09624	2.7
139.11150	1.5
141.07018	5.6
142.07838	4.1
143.08578	38.7
144.09355	0.9
145.04991	1.5
145.06480	3.5
145.10136	41.0
146.07219	1.1
147.08061	8.4
147.11674	6.0
149.09633	3.2
149.13258	4.1
151.07516	1.8
153.06952	1.4
154.07706	1.2
155.08588	4.2
157.10150	10.0
159.08080	3.1
159.10468	1.1
159.11717	16.4
161.09616	9.9
161.13327	2.1
163.11209	2.6
163.14970	0.8
165.06996	1.6
165.12807	1.1
167.08546	3.1
169.10139	8.6
171.08006	1.9
171.11707	9.7
173.09694	4.0
173.13266	3.1
175.11209	4.9
175.14786	1.6
177.12785	6.5
180.09335	1.4
181.10159	7.3
183.11723	4.6
185.09573	1.7
185.13324	4.0
187.11142	2.8
187.14824	1.2
189.12817	1.3
195.11707	10.7
197.13269	2.1
199.11150	1.8
199.14902	1.4
201.12740	2.3
209.13232	2.3
211.14923	1.1
213.12787	1.8
227.17964	3.2
237.16396	10.8
245.19046	3.1
252.70653	1.0
255.17493	14.2
259.20581	1.4
261.22083	4.3
273.18524	45.6
291.19598	1.6
317.24625	1.4
319.77368	1.0
323.85858	0.9
329.21265	4.8
333.24164	1.3
335.25824	100.0
338.94122	0.9
347.22183	30.7
349.23492	0.9
365.23511	1.1
398.98877	0.9
417.22818	1.3
435.23358	1.5
509.26898	1.0
589.42169	1.7
607.43634	74.6
608.43799	2.5
625.44489	10.9
733.46106	1.1
769.48718	2.5
787.49506	1.6
949.49438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07425	1.7
67.05509	66.8
69.03429	7.9
69.07078	21.3
71.01345	2.5
77.03938	2.3
77.99750	1.5
79.05499	90.7
80.59101	1.9
81.03426	20.3
81.07058	72.1
83.04967	9.8
83.08624	25.0
85.02891	6.6
85.06536	2.4
91.05486	51.5
93.07050	50.6
95.01337	45.2
95.04977	20.6
95.08612	47.2
97.02893	4.8
97.06529	5.1
97.10175	43.5
98.98487	3.4
99.04445	3.1
103.05469	3.5
105.03404	2.3
105.04539	5.7
105.07040	23.1
107.04958	48.9
107.08588	34.5
109.02889	8.4
109.06506	5.4
109.10163	21.6
111.04429	5.9
111.08071	5.4
115.05453	4.7
117.07020	15.3
119.04974	10.0
119.08593	20.2
121.02869	6.7
121.06507	6.2
121.10145	18.7
123.04416	11.3
123.08086	4.6
123.11706	6.0
125.02347	2.8
125.05918	2.5
125.09641	35.0
128.06192	1.9
129.07021	10.4
131.04921	5.3
131.08574	18.7
133.02924	2.3
133.06520	4.6
133.10133	14.1
135.04428	94.6
135.08073	9.3
135.11722	14.2
137.02367	4.5
137.05949	2.0
137.13202	1.7
139.03925	3.0
141.06967	4.2
143.08585	7.4
145.06471	5.2
145.10143	12.1
147.04419	17.8
147.08063	3.8
147.11693	9.6
147.48262	1.7
149.02371	3.4
149.05992	4.1
149.09546	1.8
149.13258	6.0
151.03917	34.3
153.05510	4.0
153.09119	6.2
155.01062	5.1
155.03427	3.0
155.08501	4.2
157.06546	4.8
157.10114	7.2
159.04434	3.2
159.08063	4.9
159.11684	8.5
161.02370	12.7
161.05965	8.2
161.13292	2.0
163.03928	13.2
163.07652	2.3
163.11224	6.9
165.01828	5.2
165.05525	3.2
165.06909	2.1
167.03371	2.1
167.07054	15.4
167.08499	3.8
169.05031	3.4
169.06410	1.8
169.10101	4.4
171.04453	2.5
171.08038	2.3
171.10170	3.0
171.11569	3.6
173.05952	4.1
173.09602	6.1
173.13271	5.7
175.03918	29.1
175.11198	5.5
175.14815	2.0
177.01781	2.2
177.05402	4.1
179.03404	11.9
179.08583	2.1
181.06538	2.1
181.10164	3.3
183.08102	1.8
183.10225	1.8
183.11765	2.3
185.05949	4.6
185.09631	5.9
185.13258	3.8
187.03893	4.6
187.07564	2.5
187.11230	2.8
189.01813	2.2
189.05466	6.6
189.11209	22.1
189.12743	2.4
190.50407	1.8
191.03349	4.8
191.10713	2.9
193.04872	2.5
193.10204	2.0
195.11737	3.9
197.04463	13.1
197.09654	3.9
197.13481	2.3
199.03917	6.7
199.07535	3.1
201.05547	3.3
201.09142	3.4
203.03394	2.6
203.07027	2.4
203.10716	4.2
205.12389	2.7
209.04420	2.8
209.09554	3.2
211.11229	2.3
213.09175	5.3
213.12692	2.4
215.03403	2.9
215.10687	1.8
217.04942	2.0
217.12206	3.6
219.10300	3.0
221.04391	2.2
223.11302	2.8
227.10611	3.0
227.12779	35.0
229.04900	2.8
229.12268	2.4
231.10234	6.7
233.04466	5.4
233.11874	2.7
239.10706	3.4
241.12157	2.9
243.10280	2.5
243.21135	2.4
245.13840	7.6
251.10602	2.6
255.10141	2.7
257.11786	4.4
259.13306	4.3
259.20624	3.5
261.11194	2.4
261.22141	11.8
267.10135	4.1
269.11826	8.7
271.09708	1.8
273.10971	2.8
275.12729	4.6
277.14291	2.1
285.11224	6.3
287.12781	33.8
303.12256	6.9
305.13858	7.3
307.11789	2.4
311.25848	25.1
312.26077	16.5
313.10724	7.5
321.13306	4.9
323.14883	3.5
331.11728	13.8
333.13290	2.1
333.24414	4.6
335.25815	96.5
349.12823	12.7
351.14148	2.2
361.16553	7.9
363.25717	2.0
367.14011	2.3
375.14252	4.3
379.17410	9.6
387.14349	2.6
393.24008	2.7
397.18594	6.9
405.15613	23.5
413.18146	2.8
423.16522	28.9
441.17645	36.6
448.25211	2.0
459.18451	5.1
487.34000	2.3
505.35291	16.0
525.35651	3.1
565.35089	3.4
573.31744	2.8
591.32794	5.6
609.33807	5.7
617.34210	2.2
619.36407	2.3
621.37939	38.1
623.35876	4.5
635.36041	10.8
637.36810	3.9
639.38995	35.1
641.36755	3.3
647.35730	6.8
653.39349	2.0
655.37811	7.0
657.39978	20.7
665.36859	39.1
666.36304	2.3
673.39465	11.1
675.40479	3.1
683.37909	100.0
691.40186	2.3
701.38965	76.0
715.40649	2.9
719.40051	26.0
733.41455	3.7
863.43311	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	937.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.9
69.03439	3.1
71.01343	0.6
71.08643	0.5
73.02927	2.6
73.58691	0.4
75.00034	0.4
77.51915	0.4
79.05517	1.1
81.03442	1.2
81.07060	2.2
83.08669	0.6
85.02907	4.0
85.90358	0.5
91.03973	2.4
91.05499	0.9
93.07051	1.2
95.08631	1.2
97.02901	4.9
99.04455	0.7
101.02414	1.5
107.08667	1.1
109.02901	1.1
109.10208	0.9
115.03964	0.6
121.10148	0.6
127.03954	1.2
185.04257	0.7
203.05327	0.9
207.73627	0.4
243.08601	1.6
301.12726	0.4
329.78119	0.5
347.09601	2.3
365.10812	0.7
405.13641	5.3
497.30896	3.7
519.29114	5.5
659.36243	3.8
681.34503	5.0
722.49139	0.5
775.53583	1.4
937.58685	100.0
938.57550	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	948.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	48.4
69.03429	11.9
69.07067	29.6
69.80458	1.6
70.06570	2.0
70.23978	3.3
70.24369	2.7
71.01341	4.2
71.04984	4.4
78.25429	2.0
79.05070	2.6
79.05495	35.4
81.03417	24.6
81.07059	40.0
83.04982	7.5
83.08627	14.3
85.02900	4.4
91.05482	39.8
93.07040	28.2
94.99161	1.6
95.01329	9.3
95.04961	15.7
95.08601	19.6
97.02901	12.4
97.06515	5.9
97.10166	18.3
99.04487	2.1
103.05447	3.2
105.03366	4.3
105.04515	2.9
105.07035	24.6
107.04964	14.4
107.08591	22.6
109.02893	3.5
109.06507	5.1
109.10153	24.8
110.56274	1.8
111.00777	3.0
111.04492	2.2
111.08080	3.6
113.06035	2.2
115.05441	2.8
117.07011	18.1
119.04939	5.7
119.08574	21.9
121.02869	3.0
121.06525	9.7
121.10141	7.3
123.04409	9.5
123.08060	6.2
123.11711	4.1
125.02361	2.3
125.09637	13.5
127.03867	2.7
128.06245	3.3
129.06970	13.7
131.04910	6.7
131.08575	17.7
133.02821	2.3
133.06476	6.2
133.10130	20.7
135.04436	8.4
135.08057	9.1
135.11687	5.7
137.09610	5.7
141.01840	4.5
141.06990	5.0
143.08519	8.6
145.06476	6.1
145.10114	9.1
147.04398	16.4
147.08051	12.7
147.11693	9.2
149.02324	2.4
149.05989	4.9
149.09634	6.5
149.13240	4.5
151.03932	9.4
151.11195	6.3
153.09055	2.6
155.08636	4.1
157.06447	4.8
157.10170	9.6
159.04424	3.8
159.08002	3.7
159.11665	7.4
161.02364	2.4
161.05997	4.9
161.09584	5.6
163.03883	7.6
163.11127	3.7
165.01869	2.4
165.09068	2.6
167.08496	1.7
169.04990	4.9
169.10173	5.3
171.11699	7.9
173.06000	5.0
173.09616	3.5
173.11768	4.0
175.03896	11.9
175.11203	11.3
177.05396	2.1
177.12720	4.4
178.40359	1.7
179.03325	3.7
179.10695	2.4
185.05980	3.0
185.09598	2.8
185.13196	3.2
187.07597	4.1
187.11143	5.3
189.05478	4.7
189.11130	4.8
189.12685	2.5
191.03419	3.9
193.12230	8.5
195.11707	2.2
197.09625	3.3
197.74573	1.7
199.11200	4.0
201.05586	2.6
201.09082	1.9
203.03400	3.2
203.10704	3.7
205.12202	4.7
207.13727	3.1
210.14661	2.3
211.13310	5.2
213.05518	1.9
215.10701	4.4
217.04872	2.3
217.12166	3.7
223.11220	3.1
223.13246	18.6
225.08978	5.0
227.10736	3.6
227.12767	8.6
231.13693	2.6
233.11671	2.6
235.13246	2.0
241.12219	4.9
243.10129	4.3
243.13791	2.4
245.11676	6.6
245.18953	4.1
249.14822	4.7
253.14331	5.4
259.13251	5.1
261.14856	3.1
266.80988	1.8
267.15930	8.1
269.11697	8.3
271.09647	2.3
273.18484	20.4
287.12729	26.2
289.14297	5.5
291.19540	100.0
291.84409	2.2
297.11206	3.7
305.13721	6.0
315.12357	14.6
333.13297	20.1
347.14874	2.4
347.22214	7.0
351.14456	9.6
363.18246	2.1
365.23248	71.9
366.23297	2.6
389.16071	2.1
392.21237	1.8
407.17017	37.2
425.18066	24.5
443.19016	11.8
539.33459	2.3
557.34503	7.2
595.27338	2.8
599.28308	2.8
621.28967	3.1
637.33533	2.5
643.34711	3.0
655.34088	3.0
661.35193	2.5
679.34552	18.1
688.18561	2.1
697.35791	98.4
698.35669	2.5
715.36890	65.5
733.37946	47.8
751.38544	3.8
859.40021	2.6
877.41003	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	936.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	4.8
67.05508	80.4
68.05850	1.7
69.03432	5.2
69.06721	1.6
69.07067	17.5
69.45046	5.9
71.05007	4.6
71.08631	2.6
73.02917	3.9
73.06581	0.7
76.56602	0.8
77.03929	1.1
79.05498	52.7
79.13468	0.9
81.03423	89.6
81.07060	75.1
81.07762	1.3
82.07406	1.6
83.04993	5.7
83.08623	27.4
85.02904	9.5
85.06535	3.0
85.10164	1.6
91.03970	5.9
91.05489	40.5
93.07049	55.0
94.07370	1.4
95.01336	5.8
95.04977	33.1
95.08613	57.8
96.01673	0.9
96.08951	1.6
97.02889	6.8
97.06537	6.4
97.10169	10.3
98.98502	0.9
99.08105	1.5
103.05469	1.2
105.06316	1.6
105.07034	33.5
107.04956	9.8
107.08601	35.3
108.75487	0.8
109.02883	1.8
109.06519	7.0
109.10160	35.8
110.10509	1.8
111.04453	2.3
111.08079	8.4
113.02403	1.1
115.05450	2.9
117.07026	9.7
119.04925	1.2
119.08590	29.4
121.06501	5.0
121.10154	31.5
123.04436	2.9
123.08098	3.7
123.11709	10.1
125.09634	6.6
127.03925	3.0
128.06174	1.2
129.07033	11.5
131.04813	1.0
131.08574	26.3
131.09538	1.8
133.06512	3.3
133.10135	19.2
135.08055	2.9
135.11714	15.3
137.09618	3.2
137.13283	3.2
141.06970	1.1
142.07788	2.9
143.08607	4.3
145.04985	2.8
145.06424	1.3
145.10133	14.9
146.10518	1.0
147.04431	1.4
147.08064	3.7
147.11688	16.3
149.09641	6.9
149.13268	8.3
155.01053	1.2
155.08582	2.9
155.10706	1.1
157.10135	12.6
159.11697	10.5
161.07367	1.0
161.09674	1.0
161.13248	6.9
163.06079	5.2
163.11183	3.5
163.14810	2.5
165.12787	2.9
169.10179	2.1
171.11717	2.9
173.09669	1.2
173.11760	2.0
173.13272	6.7
175.11224	10.2
175.14890	3.3
177.12782	1.0
177.16434	1.7
184.07410	1.5
185.13249	2.1
187.11224	0.9
187.14882	3.5
189.05534	1.1
189.11249	3.4
189.12802	1.6
193.12241	20.3
197.13277	1.5
199.14865	1.0
201.16286	1.8
205.15910	1.2
207.13853	1.3
211.13319	2.4
215.17952	1.1
216.06377	0.9
219.17584	1.0
221.15361	0.9
227.12823	7.9
228.42210	0.9
229.14355	3.6
230.14777	2.5
235.13321	2.6
243.21123	7.1
245.79404	0.9
249.14888	2.3
259.13327	2.3
261.22174	23.8
267.15933	96.3
273.14963	1.0
275.20322	1.1
279.23181	1.9
282.27927	3.4
301.14377	2.7
301.25220	6.0
309.16928	6.8
313.27359	26.8
317.24899	4.1
335.25809	100.0
336.26266	4.3
341.25241	0.9
359.25754	1.1
393.23892	2.4
403.24738	1.5
417.31467	1.6
421.25806	3.6
431.27853	1.1
435.27194	2.9
435.32700	5.1
436.28314	9.4
449.28915	2.1
453.33728	8.1
454.29205	10.6
459.18643	2.1
460.18851	2.4
461.19254	2.0
461.29166	1.3
471.34836	5.1
491.35730	1.3
509.36118	1.7
527.37360	77.5
528.37756	1.9
545.38397	90.1
546.38751	2.3
559.39899	3.0
569.38452	10.9
576.86761	1.1
577.40833	2.0
587.39221	2.7
593.38049	1.2
611.39417	2.1
623.39319	4.2
635.39148	5.5
653.40399	3.4
671.41815	4.1
737.40680	1.5
738.42072	1.2
739.41241	2.7
774.51025	1.3
936.57544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.9
67.05507	43.2
67.38832	0.7
69.03428	2.9
69.07067	9.6
71.04985	2.5
71.52455	0.9
73.02899	1.7
73.06528	0.7
79.05495	22.3
80.27289	0.8
81.03416	3.4
81.07061	40.7
83.04992	4.1
83.08631	6.3
85.02905	9.5
85.06550	2.7
86.09705	1.5
91.03957	4.7
91.05481	31.0
93.07048	26.6
95.01329	1.3
95.04956	5.9
95.08610	26.4
97.02888	3.9
97.06524	2.4
97.10178	2.5
99.04439	1.7
103.03934	1.8
105.07038	22.4
107.04926	1.2
107.08594	26.0
109.06505	2.7
109.10159	31.8
113.06038	2.9
117.07019	5.1
119.08590	10.3
121.10156	13.1
123.08086	1.7
123.11717	7.6
123.40501	0.8
124.99995	1.3
125.09660	1.8
127.07564	1.1
128.06235	1.6
131.08562	8.1
133.10135	64.9
133.98207	0.7
135.04420	1.0
135.08052	1.2
135.11696	8.6
137.09616	1.6
137.13278	0.9
143.08577	5.0
145.04962	1.2
145.10104	4.5
147.11681	3.3
149.09613	1.5
149.13287	4.5
151.11183	25.9
157.10153	1.2
159.11708	2.9
161.09615	12.6
161.13280	3.3
163.06021	1.6
163.14824	2.3
169.12309	4.7
171.11810	0.8
173.11938	0.8
173.13281	3.4
177.16393	1.2
179.10687	10.4
184.07343	5.3
187.14787	1.5
194.54176	0.8
197.11736	1.8
212.69189	0.8
215.12807	14.2
233.07161	0.8
243.21049	4.7
253.14355	17.6
253.16830	1.2
261.22150	18.7
271.15396	5.0
279.23154	1.2
299.14935	4.2
317.15958	72.0
317.24631	2.5
335.25809	100.0
336.26059	3.1
363.25403	1.5
398.86743	0.9
406.16171	0.8
513.35773	1.7
531.36792	8.4
545.38416	1.2
577.37390	62.5
578.37592	2.1
595.38354	5.2
721.40625	1.2
730.48779	1.1
751.36200	1.0
774.50665	2.9
867.50928	0.9
936.58490	3.8
937.39685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	4.1
67.05508	100.0
69.03439	3.4
69.07069	9.3
71.01385	0.7
71.04992	4.3
71.52522	0.5
71.52930	0.8
73.02919	1.2
79.05496	25.8
81.03411	4.3
81.07060	40.9
82.04704	0.6
83.04980	3.1
83.08628	10.4
85.02922	4.0
85.06557	3.7
91.05485	22.7
93.07050	29.0
94.22827	0.6
95.01334	41.9
95.04964	6.1
95.08612	29.6
96.18530	0.6
97.02886	3.8
97.03442	0.6
97.06535	3.2
97.10167	6.1
99.04457	0.7
99.08115	1.2
103.05456	1.4
105.04473	1.3
105.07031	14.2
107.04996	3.2
107.08595	17.9
107.09303	1.0
109.02916	2.0
109.06520	1.6
109.10162	84.0
111.04485	1.2
111.08085	5.1
113.02383	5.8
113.09647	0.6
115.05482	1.3
116.04764	0.7
117.07040	8.5
119.03397	1.1
119.04993	0.7
119.08594	18.4
119.54599	0.5
121.06499	2.4
121.10150	12.3
123.04436	4.1
123.08060	2.3
123.11713	5.8
123.52865	0.6
125.02350	1.5
125.09641	5.4
127.03920	0.8
127.11160	0.9
127.61541	0.6
128.06219	0.7
129.05524	3.5
129.06987	4.3
131.04958	0.8
131.08568	12.7
133.06516	3.1
133.09137	0.8
133.10132	9.8
135.04414	3.1
135.08061	2.0
135.11699	9.4
137.05977	1.6
137.09637	4.8
137.13243	1.7
139.03944	1.0
139.11198	0.7
141.06996	1.8
142.07790	1.8
143.07069	0.8
143.08568	3.2
143.10609	0.8
143.70999	0.5
145.06494	2.2
145.10132	8.2
147.04439	1.2
147.08057	1.6
147.11697	7.0
149.09616	2.5
149.13274	5.3
151.03906	4.7
153.09120	0.7
155.03391	0.8
155.08606	3.3
155.10654	7.4
157.06438	0.6
157.08626	1.8
157.10150	4.6
159.08038	1.6
159.11722	7.6
161.06020	0.7
161.09660	1.7
161.13289	4.5
163.04004	0.7
163.11177	1.3
163.14828	1.7
167.03433	1.0
167.08644	0.6
169.04980	1.1
169.10175	2.5
171.11676	3.7
173.06050	0.7
173.09633	1.1
173.11781	29.3
173.13290	4.8
175.07509	0.6
175.11176	3.3
175.14815	2.3
177.12794	1.3
179.03418	1.1
179.08481	0.7
181.04944	0.9
181.10146	1.4
183.11662	3.6
185.09666	1.6
185.13290	2.2
186.81366	0.6
187.11275	0.7
187.14810	3.9
189.05428	0.9
189.11223	3.2
189.12749	1.3
193.12234	1.6
193.15930	0.6
195.02934	1.7
195.11745	1.5
197.04466	2.2
197.09607	0.8
197.13243	1.5
199.11240	1.2
199.13191	1.0
199.14894	1.7
201.05598	0.5
201.12775	1.6
201.16368	1.5
203.10675	1.1
203.14246	0.9
205.12263	0.8
207.14024	0.7
209.13353	0.7
211.11255	0.7
211.14886	1.2
213.03894	1.7
213.09076	0.9
213.16411	0.7
215.14301	1.2
217.14217	1.1
221.04613	0.8
225.03883	0.6
227.12553	2.8
229.14355	76.0
231.10173	1.0
241.19638	1.1
243.13976	0.8
243.21156	2.9
247.13136	0.8
249.14984	0.6
257.08035	0.6
259.20544	3.4
261.14893	1.0
261.22116	9.5
267.12531	0.9
267.15869	1.1
273.22000	0.7
277.21655	1.8
283.20712	0.7
285.22156	1.5
299.23734	3.1
303.12198	1.3
309.22003	3.1
311.23685	0.9
314.27927	0.7
315.23199	1.0
317.24612	2.0
327.23212	7.5
328.29581	0.7
329.24835	2.9
333.24384	1.6
335.25815	48.2
336.26297	1.1
337.21536	2.1
339.14374	0.7
340.29379	0.8
345.24231	1.1
349.12814	1.2
349.16660	0.9
351.14435	1.5
351.25418	1.0
355.22656	5.1
359.25735	0.9
367.13702	0.7
373.23660	1.6
401.27060	1.4
411.25296	1.2
419.28192	0.6
423.16129	1.4
429.26266	2.3
435.27222	1.3
435.32632	1.3
445.25711	1.5
447.27237	1.0
455.24103	1.0
459.18594	48.8
463.32217	1.0
463.82541	0.6
468.50876	0.7
473.25351	3.1
477.19467	2.8
489.35767	11.9
491.25961	1.0
507.36353	0.7
529.38910	1.4
543.36633	1.5
555.36774	1.2
583.36127	1.3
601.36700	2.0
609.34424	1.0
627.35400	1.3
641.40210	0.8
645.35999	1.1
665.36780	0.7
683.40631	4.0
701.39301	4.8
719.40173	18.3
737.41046	37.0
738.41046	0.8
838.44666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.4
67.05507	100.0
68.54750	0.4
69.03423	3.0
69.07072	9.0
70.06569	0.5
70.56969	1.4
71.04995	4.0
73.02926	1.6
77.03926	0.6
79.05495	27.9
81.03421	5.4
81.07059	41.7
83.01350	1.1
83.04974	3.2
83.08618	10.4
85.02916	3.6
85.06546	3.8
91.05480	24.4
93.07047	28.4
95.01331	39.3
95.04969	5.9
95.08607	27.1
96.04526	0.5
97.02869	3.2
97.06512	2.8
97.10172	6.5
99.08079	1.0
101.02364	0.5
101.06007	0.7
105.04549	0.9
105.07034	14.0
107.04959	2.9
107.08596	18.1
109.02893	1.7
109.06546	1.9
109.10160	78.8
111.08085	5.2
113.02370	7.9
115.05487	1.5
117.07023	7.5
119.04946	0.6
119.08579	18.3
121.02901	0.9
121.06506	1.5
121.10145	11.5
123.04456	2.8
123.08066	1.4
123.11725	6.2
125.02386	2.6
125.09630	4.8
127.03986	0.7
127.11211	0.9
128.06223	1.8
129.05493	1.9
129.07024	4.4
131.04970	0.5
131.08575	11.9
133.06476	2.9
133.10136	9.8
135.04417	2.5
135.08063	2.3
135.11697	8.0
137.02357	0.6
137.05992	1.3
137.09622	4.3
137.13235	1.0
139.03915	1.3
139.11200	0.8
141.07010	2.1
142.07767	1.2
143.07072	1.3
143.08566	4.1
144.09338	0.6
145.06499	1.6
145.10126	9.0
147.04407	1.1
147.08073	2.1
147.11705	7.1
149.09612	2.4
149.13264	5.5
151.03897	3.6
151.11205	0.8
151.14890	0.6
153.05486	0.8
153.09018	0.5
153.12714	0.5
155.03371	0.6
155.08653	2.9
155.10680	7.8
157.06528	0.6
157.08629	1.9
157.10146	5.1
159.08029	2.5
159.11693	6.6
161.09653	1.4
161.13315	3.9
163.03951	0.7
163.11165	1.2
163.14822	1.8
165.12772	0.9
167.03366	0.7
167.08557	0.9
169.05017	1.0
169.06367	0.6
169.10139	2.9
171.08061	1.2
171.10339	0.9
171.11646	2.7
173.05998	1.0
173.09625	1.1
173.11757	25.0
173.13277	4.9
175.07550	0.5
175.11118	2.7
175.14830	2.1
177.12744	1.6
177.16350	0.9
181.04933	0.5
181.10138	1.1
183.08061	0.9
183.11708	2.2
185.09637	1.8
185.13315	2.5
187.07483	0.6
187.11208	1.5
187.14827	2.9
189.09094	0.8
189.11227	2.2
189.16292	0.8
191.14362	0.6
193.10464	0.7
193.12277	2.0
195.02925	1.2
195.11739	1.6
195.13721	0.7
197.04427	1.6
197.09703	0.6
197.13306	1.7
199.07550	0.5
199.11284	0.8
199.13260	1.0
199.14928	1.6
200.14232	0.5
201.09229	0.6
201.12756	1.0
201.16484	0.8
203.10712	0.6
203.14389	0.6
205.12231	0.7
207.13870	1.0
211.11316	0.9
211.13106	0.9
211.14851	1.3
213.04037	0.9
213.09140	0.9
213.12805	0.7
213.16391	0.5
215.05540	0.6
215.10756	0.8
215.14442	0.6
217.12338	0.6
217.14265	0.7
223.14812	0.5
225.03992	1.1
225.12805	0.5
225.16466	0.6
227.12778	2.0
229.14355	67.2
231.10216	0.8
231.17384	0.5
235.65677	0.5
241.19450	1.0
243.21030	1.9
257.19193	0.6
259.20663	2.2
261.22162	8.1
267.15930	0.6
271.20505	0.8
273.10962	0.7
273.22144	1.2
277.21692	2.0
281.22736	0.8
283.09402	0.6
285.22174	2.0
289.14383	0.7
289.21500	0.7
299.23761	1.9
303.12299	0.8
309.22134	1.8
317.13638	0.8
317.24725	1.6
321.13330	0.9
327.23236	6.6
329.24753	2.0
331.11844	0.5
333.24478	1.0
334.71774	0.5
335.25809	41.0
337.21649	2.5
339.23236	0.9
345.24225	1.5
349.12708	0.7
351.14279	0.8
351.25262	1.0
353.26987	0.8
355.22589	3.7
373.23755	1.3
385.14801	0.6
401.26749	2.0
411.25073	1.2
417.26480	1.1
423.16492	2.0
427.24841	0.7
429.26340	1.5
433.31696	0.7
439.24759	0.6
441.17139	0.6
445.25882	1.0
445.31210	1.0
447.27307	0.7
447.32852	0.8
455.24054	1.0
459.18567	42.7
460.19089	0.7
461.20331	0.8
463.32074	0.9
473.25101	2.7
473.30981	0.8
477.19302	2.1
481.33130	0.9
487.34042	0.6
489.35809	11.2
491.25714	0.9
491.32016	0.7
507.36703	1.0
527.37073	1.4
529.38702	1.4
543.36737	1.4
555.36945	0.7
583.36334	0.9
601.37048	1.5
609.34125	1.1
627.35773	1.2
641.40387	0.9
645.36188	1.1
683.40320	3.4
701.39325	3.3
719.40253	18.0
737.41077	35.1
738.41284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.7
67.05515	35.7
69.03422	1.4
69.06740	0.8
69.07081	11.2
69.18286	6.5
71.04988	1.6
71.08641	19.5
73.02918	3.3
79.05503	20.8
81.03416	1.5
81.07066	41.3
81.50609	0.7
83.04961	0.9
83.08628	10.2
85.02438	1.0
85.02914	14.6
85.06538	1.2
85.10188	9.8
89.06014	1.1
91.03967	10.5
91.05487	9.7
93.07052	26.0
95.04955	1.2
95.08619	36.8
96.04515	0.8
97.02905	8.8
97.06527	1.3
97.10183	5.1
99.04449	0.9
99.08096	1.2
105.07040	7.7
107.08610	15.3
109.06526	0.9
109.10170	18.4
111.08155	0.7
111.11674	0.8
117.07032	3.6
119.08588	7.3
121.10162	13.9
123.08106	0.8
123.11726	8.7
125.09608	0.7
127.03959	4.0
131.08588	6.4
133.10146	6.0
135.11708	9.5
137.13284	2.8
143.08559	0.8
145.04962	4.4
145.10147	5.8
147.11708	4.3
149.13274	7.2
159.11711	4.5
161.13277	3.2
163.06030	7.8
163.14813	3.8
173.13303	4.8
175.14885	1.4
177.16359	1.3
187.14810	2.9
189.12787	0.7
201.16411	0.8
204.08728	0.9
215.17772	0.8
233.22688	0.9
239.23689	3.2
243.21118	9.3
257.24826	1.5
261.22174	37.9
279.23206	0.8
313.27396	100.0
314.27451	1.0
317.24792	5.8
335.25827	78.9
336.26080	1.7
361.10321	0.7
392.33133	0.7
401.52478	0.7
573.48846	46.4
574.49286	0.9
591.49915	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	932.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	23.3
69.03413	2.9
69.07074	9.1
69.97186	6.6
70.06592	1.9
71.04990	2.5
71.35535	2.1
76.02234	72.6
76.03999	2.3
77.70963	1.6
79.05499	24.5
81.03391	5.6
81.07064	31.1
83.04977	4.4
83.06091	6.3
83.08603	6.7
84.04503	13.8
84.08157	2.1
85.02892	4.8
86.99043	4.4
91.05492	32.8
91.98546	1.9
93.07051	21.6
95.04966	6.5
95.08611	19.9
96.05323	1.7
97.01114	4.8
97.02885	4.0
97.06513	2.9
97.10197	4.2
98.20694	1.7
99.05573	2.4
100.73940	1.6
102.05573	1.9
105.07043	30.4
106.30788	2.1
107.02142	1.8
107.04963	5.4
107.08587	15.9
109.06518	2.8
109.10133	7.4
111.02668	2.6
111.08085	2.6
115.05485	1.6
116.01677	24.6
117.07020	14.1
119.08611	19.2
121.06467	2.3
121.10137	9.3
123.08072	2.6
125.09592	2.9
128.06241	3.1
129.07062	13.2
130.05009	8.4
131.08591	29.6
133.10133	15.1
135.08070	2.8
135.11681	5.6
137.09616	3.0
141.04788	2.9
141.06993	2.2
142.03267	13.9
143.08566	13.3
144.01155	13.7
145.06239	2.9
145.10141	15.4
147.08034	4.2
147.11641	4.3
149.09647	3.5
155.08516	6.0
157.10126	8.7
159.07996	1.8
159.11732	9.6
161.04169	1.9
161.09648	2.8
162.02219	50.9
167.08563	2.8
169.10123	8.0
170.02696	6.9
171.08029	2.2
171.11673	7.1
173.13174	3.4
175.11249	2.0
179.03253	3.3
179.04861	67.5
181.06149	1.6
181.10110	4.1
183.03052	2.3
183.11726	4.3
185.13275	5.0
187.05402	7.8
187.11255	2.2
187.14806	2.5
193.12219	2.7
195.11728	3.8
197.13275	5.8
209.13330	2.7
211.14903	3.3
215.04784	5.1
215.14374	3.0
223.14905	1.8
229.14153	2.3
233.05904	25.0
241.15866	2.5
245.05922	3.7
247.16904	2.9
267.16028	4.9
289.04782	2.5
308.09143	50.0
308.12802	2.7
308.16687	1.9
325.25259	3.8
335.23712	4.4
343.26288	6.6
353.24893	8.9
371.25815	11.4
377.52988	1.9
389.26935	10.4
389.31226	1.8
431.28229	2.1
445.23523	3.6
445.29562	54.5
459.27234	4.0
461.05441	2.0
463.30560	34.9
477.28091	2.7
497.37564	2.0
502.29877	1.7
520.30951	3.9
538.31763	5.5
623.33368	12.6
641.34662	49.2
677.34540	4.5
695.35870	21.9
752.37878	23.0
770.38934	100.0
803.39294	5.7
857.41339	1.9
914.42932	2.8
932.44208	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	929.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03966	3.8
67.01877	2.0
67.05518	18.7
69.03445	17.5
69.07069	13.6
69.44037	13.0
71.11815	2.2
79.05502	25.2
81.03452	8.3
81.07069	43.4
83.04984	12.2
83.08624	5.7
85.02913	21.7
85.06568	5.0
91.05496	43.6
93.07060	48.6
95.04981	13.0
95.08620	29.2
97.02921	7.6
97.06529	10.9
103.05483	2.7
105.04617	2.1
105.07042	76.1
106.07370	3.1
107.04982	2.8
107.08609	41.6
109.02903	5.7
109.06561	8.4
109.10165	20.0
115.05511	4.1
117.07051	13.9
119.08595	79.4
120.08949	3.6
121.06560	7.7
121.10175	39.8
123.04496	6.0
123.08075	20.2
123.11752	8.9
125.06005	24.9
125.78633	2.3
127.03960	5.0
128.06244	10.1
129.07028	13.1
130.07838	4.1
131.08598	30.2
132.09390	2.1
133.06541	5.3
133.10146	42.8
133.11084	2.5
135.08086	12.9
135.11684	17.7
135.12556	1.8
137.09598	13.6
141.07039	5.9
142.07819	13.0
143.08578	24.1
144.09389	5.8
145.10147	50.1
146.10722	2.5
147.08066	30.4
147.11708	30.8
149.09700	6.2
149.13303	2.9
151.03964	7.8
151.07559	22.8
151.11227	2.9
155.03471	2.9
155.08569	9.8
156.09383	14.1
157.10159	32.3
158.10939	4.5
159.08162	6.1
159.11719	36.5
161.09674	3.8
161.13268	9.8
163.11203	31.8
165.07050	5.3
165.09145	43.6
165.10504	2.4
167.03519	3.7
167.08578	4.5
168.09351	4.0
169.04976	10.5
169.10152	19.4
170.10973	6.5
171.08154	2.9
171.11726	26.0
172.12338	3.3
173.09679	7.3
173.13319	22.0
175.11229	4.8
175.14867	20.8
179.03429	16.7
179.08676	6.4
180.09416	2.9
181.05083	2.4
181.10310	8.0
181.12247	63.0
182.11021	4.6
183.02911	3.7
183.08128	2.8
183.11714	15.8
184.12448	2.5
185.09732	2.2
185.13266	12.6
187.11281	7.0
187.14920	7.8
189.12808	13.6
191.10748	4.0
191.14372	3.6
193.05003	5.1
193.10182	5.8
193.12201	2.2
194.10944	3.7
195.11771	11.1
195.13544	2.1
196.12543	7.1
197.04477	48.5
197.09695	2.9
197.13289	13.9
198.13998	3.1
199.11278	3.7
199.14919	8.1
200.12059	3.1
201.12755	3.1
201.16524	6.8
203.03528	3.0
203.14311	20.3
207.06476	2.6
207.11823	8.9
207.13933	11.1
208.12645	4.5
208.14500	3.0
209.04475	3.0
209.13287	10.0
209.15286	2.7
210.13914	2.5
211.06000	15.7
211.11316	3.2
211.14925	8.3
213.16473	3.2
215.14473	2.7
217.05078	9.8
217.16150	3.5
219.11774	3.9
220.12587	3.6
221.04520	5.1
221.13316	7.6
221.15375	100.0
222.15817	3.8
223.06136	8.5
223.14960	7.0
225.12752	3.1
225.16518	9.5
227.18100	4.0
231.13953	2.7
233.13333	3.2
234.14072	2.3
235.06044	26.4
235.08000	2.0
235.14902	6.6
235.17047	2.5
236.06577	2.8
237.07787	6.3
237.16502	3.2
239.07166	3.3
239.17972	3.9
243.06512	3.3
247.17079	6.3
249.07678	3.5
249.16423	4.7
251.18155	3.8
257.08258	3.1
257.19244	2.9
261.07648	5.7
261.16333	3.5
261.18802	3.1
263.09033	10.4
263.18134	2.2
265.19745	4.5
267.10406	2.2
269.08008	2.8
271.09680	3.0
271.17264	3.4
271.20847	2.5
273.07751	5.9
275.09119	13.8
275.18277	3.4
281.07788	2.5
281.19177	2.7
283.20560	4.1
285.07727	3.0
285.18802	3.7
285.22296	6.2
286.19385	9.3
287.09216	4.8
287.20169	21.1
289.10846	10.1
297.22330	2.5
299.09293	5.3
299.20135	11.9
300.20932	8.2
301.10727	6.4
301.21786	3.8
313.10788	3.6
313.21786	5.7
315.12399	7.0
325.11023	3.0
325.21707	3.4
327.12332	9.6
327.23245	10.4
339.12524	6.4
341.14032	7.8
353.13809	13.7
353.24710	2.4
355.15463	2.9
365.13974	3.5
367.15918	2.8
367.26624	3.5
369.16843	9.6
375.87421	2.3
377.14136	2.5
379.15579	2.6
379.26550	7.1
380.26855	7.1
381.17188	2.7
387.18042	45.3
388.18588	5.5
393.17557	2.8
395.18741	3.3
401.19250	3.1
413.19778	6.1
419.18756	2.8
425.31107	3.1
453.22906	2.7
466.55548	2.3
467.24594	4.8
515.28271	2.7
533.29492	6.8
541.29565	3.5
549.23669	7.8
559.30621	9.5
583.41553	11.0
587.34064	2.9
615.28687	2.5
643.28174	2.6
644.28406	3.0
657.29297	3.6
721.36194	6.6
731.43115	3.2
749.44238	14.4
767.44940	23.7
821.64069	3.3
837.43982	5.1
911.49255	16.2
929.50500	94.3
930.51202	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	2.8
69.03439	4.0
70.57429	1.2
71.05009	0.9
73.02934	4.2
79.05512	2.0
81.03432	1.9
81.07065	4.0
83.04994	0.4
83.08646	0.5
85.02916	5.3
85.06590	0.4
87.04498	0.6
91.03978	3.7
91.05484	2.3
93.07046	2.7
94.03607	0.3
95.04969	0.5
95.08614	2.3
97.02903	5.7
97.06552	0.4
99.04461	1.0
101.02402	1.5
105.07013	0.8
107.08633	1.0
109.02918	0.8
109.10180	1.0
115.03979	0.4
117.07061	0.6
121.10166	0.8
123.11764	0.4
127.03947	2.5
131.08574	0.4
133.10153	1.3
135.11736	0.9
139.63326	0.4
140.42928	0.3
145.05011	0.5
145.10210	0.5
149.13327	0.5
151.11295	0.6
159.11711	0.4
185.04323	0.7
203.05315	0.8
209.29185	0.4
233.94702	0.4
243.08537	1.3
267.15845	1.2
335.25943	0.5
347.09631	2.7
365.10757	1.1
405.13800	5.3
485.23602	4.8
519.29352	6.6
647.28790	3.4
665.42566	0.7
681.13300	0.3
681.34558	6.4
763.46118	1.9
925.51392	100.0
926.52338	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	923.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	0.5
67.05507	6.3
69.03424	3.3
69.07072	1.3
69.44162	0.3
69.98639	0.4
70.06597	0.5
71.05003	0.7
73.02922	3.1
75.00219	0.4
79.05497	3.9
81.03423	2.3
81.07059	6.3
82.07389	0.5
83.05010	0.9
83.08625	1.0
85.02910	4.1
85.06522	0.5
86.09703	3.9
87.04495	0.5
87.10056	0.6
91.03958	2.7
91.05484	3.9
93.07042	4.5
94.07375	0.4
95.01348	0.5
95.04994	1.4
95.08611	4.3
97.02908	5.0
97.10220	0.5
98.21541	1.0
98.98494	0.7
99.04539	0.4
101.02399	1.5
103.04005	0.4
105.07050	2.5
107.04957	0.5
107.08594	2.1
109.02907	0.7
109.06520	0.7
109.10155	1.8
110.10519	0.5
117.07025	0.8
119.08617	1.2
121.06542	0.6
121.10162	1.7
123.11736	0.5
125.00004	3.8
127.03928	1.4
129.07004	0.4
131.08562	1.8
133.10172	1.4
135.11723	1.2
135.77979	0.4
143.08626	0.4
145.10170	0.6
147.04543	0.4
147.11707	0.8
157.10161	0.6
165.05013	0.4
173.13380	0.5
184.07349	16.0
185.07701	1.8
199.02200	0.4
209.85251	0.4
243.08569	1.6
285.17047	0.5
335.25888	2.2
336.26218	0.4
349.12863	0.7
356.39246	0.4
367.13751	2.4
409.14914	1.0
427.15756	8.5
451.19678	0.6
453.20612	0.5
483.18427	0.8
519.29376	4.4
523.20752	0.5
528.37738	0.7
544.37476	0.6
545.37830	0.6
546.38513	1.3
585.21887	1.3
604.62439	0.5
645.23285	2.2
675.43671	0.7
761.50500	1.4
863.44098	0.9
923.46039	100.0
924.46649	3.1
930.35046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.3
66.98194	0.4
67.01852	0.5
68.99791	5.5
69.03433	3.0
69.56301	1.1
69.56710	1.9
77.03934	0.6
79.05490	0.9
81.03432	2.7
83.04980	1.0
85.02903	8.7
87.04503	0.6
89.03923	1.4
91.05455	0.5
93.03413	2.0
95.04940	0.7
97.02887	3.0
99.04462	0.9
105.03407	0.7
107.04959	3.4
109.02888	3.4
111.00803	7.7
111.04450	7.5
115.05451	0.8
117.03382	1.1
117.07052	0.5
119.04925	0.6
121.02874	1.7
123.04434	34.8
127.03926	31.5
131.04932	2.0
133.06512	0.7
135.04422	38.6
137.02351	3.1
139.03903	14.6
143.04910	0.5
145.02859	1.1
145.04968	1.6
145.06508	0.9
147.04456	2.3
149.02335	8.2
149.06004	1.0
150.03099	0.6
151.03911	9.1
153.01820	1.3
155.04930	1.4
156.34467	0.5
157.06448	0.8
159.04422	2.2
161.06007	3.1
163.03914	39.4
165.01904	1.1
165.05496	1.3
167.03416	14.4
169.04979	1.9
169.06465	0.6
171.04362	0.7
173.02313	0.7
173.05995	4.4
175.03989	1.0
177.05455	4.9
179.03413	7.8
181.04994	1.5
183.02971	1.0
183.04434	2.5
185.04465	94.2
187.03844	3.8
187.07504	0.5
189.01950	0.6
189.05490	0.7
191.03403	5.7
191.07043	1.1
192.69101	0.5
195.02931	0.5
197.04448	6.3
197.06020	1.3
199.03926	0.6
201.05476	8.3
203.03400	6.2
203.07063	1.5
205.04985	1.9
207.02911	1.0
209.04454	3.5
211.04041	0.6
213.05482	1.9
215.03444	2.1
215.07016	1.6
217.05008	3.0
219.02855	0.8
219.06552	1.7
221.04419	1.1
223.02350	1.5
225.03720	1.0
225.05727	1.0
227.03416	1.1
227.05428	6.1
229.04979	11.2
231.02856	0.7
231.06567	1.7
233.04457	1.3
235.05992	1.1
237.05588	0.8
241.04993	1.6
243.02829	2.6
243.06538	2.0
244.03697	0.6
245.04472	55.2
246.04794	0.5
247.06030	100.0
248.06300	0.7
248.21561	0.5
249.03836	1.3
253.04869	1.5
255.06554	1.4
257.04465	5.3
259.06006	3.7
261.03937	3.7
261.07574	2.7
263.05530	1.4
265.05060	0.6
267.06631	0.5
269.04425	3.9
270.05054	0.6
271.06018	15.1
273.03976	0.7
274.04700	2.9
275.05508	12.7
281.04633	0.8
282.05316	0.7
283.06104	2.4
285.03946	19.3
286.04834	1.0
287.05527	8.6
289.07077	20.7
293.04538	0.6
295.05988	0.9
297.03873	2.2
299.05484	1.0
301.04028	0.5
301.06885	2.2
303.04990	36.2
305.06589	7.2
309.03888	1.5
309.07428	0.7
311.05423	3.2
313.03589	0.6
313.07043	1.5
315.04861	3.9
321.06134	4.9
323.05563	1.4
327.05051	2.8
329.06546	6.8
331.08136	1.1
333.06012	11.5
337.03317	1.2
337.06985	0.7
341.06387	0.7
345.06046	4.7
347.10303	9.5
355.04239	0.8
357.06094	0.8
359.09775	1.1
361.07022	1.6
363.08273	0.5
365.06628	2.2
367.08237	0.8
377.06296	0.7
379.04196	1.1
379.08139	1.5
383.07642	3.9
389.06378	1.6
389.10840	1.7
391.08157	1.3
395.07703	2.4
397.05453	0.6
397.09344	6.3
407.07654	17.6
409.09290	7.3
411.06747	0.5
419.07773	2.9
421.05240	2.9
423.06940	0.5
425.08661	6.5
430.17126	0.9
433.09155	1.8
437.08658	8.0
439.06567	4.5
447.07208	0.5
449.08871	2.4
451.05536	2.1
451.11444	0.8
455.09738	7.7
465.10181	6.1
467.11908	2.6
469.07736	0.7
473.10590	1.1
481.07739	0.7
483.11349	9.1
495.10065	0.7
497.10574	0.7
507.11145	1.0
517.11316	3.8
525.11615	0.5
535.12579	3.7
541.11249	1.2
559.12213	1.3
573.10449	2.9
575.11218	0.5
577.13605	2.9
591.11548	4.5
601.11389	1.1
609.12335	0.8
635.16089	3.7
753.16364	2.6
755.17871	1.1
770.73029	0.5
771.17572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.9
67.05512	51.4
69.03443	2.5
69.07078	11.1
71.05001	17.8
71.08638	0.6
73.02924	3.2
73.06574	0.6
77.03968	0.4
77.56281	0.4
79.05499	27.9
81.03426	1.5
81.07064	73.8
83.04996	3.3
83.08624	7.1
85.02912	9.3
85.06544	6.6
85.07022	0.6
87.04498	0.7
91.03960	5.4
91.05490	23.5
93.07051	32.5
93.68375	0.4
95.04976	2.3
95.08616	21.6
97.02896	5.1
97.06550	4.5
97.10181	2.9
98.20734	0.9
99.04480	1.4
99.08108	0.8
101.06014	0.4
103.05471	0.3
103.53224	0.4
105.04527	0.6
105.07041	13.4
107.08606	18.7
109.02901	0.6
109.06516	1.7
109.10162	10.9
110.03662	0.4
111.08087	1.8
111.11730	0.7
117.07033	4.8
119.08600	7.8
121.06554	0.5
121.10154	13.5
123.08118	0.9
123.11716	12.6
125.09677	1.4
127.03934	2.2
127.07526	0.5
129.07039	1.0
131.08586	8.1
131.09540	0.6
133.10147	16.6
135.08075	0.8
135.11711	9.2
137.09686	0.5
137.13339	0.4
139.11176	0.9
143.08591	1.1
145.04973	2.5
145.10120	4.7
147.11719	4.0
149.09610	0.5
149.13281	5.4
151.11185	6.2
153.12828	1.1
155.08556	0.6
157.10191	1.3
159.11728	6.1
161.13260	2.9
163.06061	3.1
163.14847	1.5
163.35074	0.4
165.12854	0.5
169.10179	0.4
169.12273	1.0
171.11720	1.5
173.13280	2.6
175.14928	0.9
177.12761	1.3
177.16438	0.5
183.11714	0.7
183.13828	2.3
185.13327	0.9
187.13341	3.6
187.14856	1.0
195.13881	1.5
197.13283	0.5
199.14961	0.7
201.14847	0.8
201.16505	0.5
213.16554	0.5
225.14757	0.5
227.16370	2.1
229.14397	0.6
241.17900	0.6
243.15866	0.5
243.21104	0.7
253.18108	1.3
257.17569	2.0
259.20743	0.8
261.22150	2.4
269.17490	6.0
299.23550	0.5
301.20099	19.7
315.23212	0.5
317.24768	0.9
333.24191	0.5
335.25839	16.0
338.15903	0.5
343.26779	0.5
359.25940	0.4
363.25342	0.5
393.31421	0.7
411.32599	1.3
419.33060	0.6
429.33566	0.6
437.34430	2.8
445.24496	1.5
455.35236	0.5
485.36316	4.7
493.36917	0.5
503.37360	77.5
504.37726	2.0
511.37897	2.9
517.39111	2.2
529.38947	30.5
530.39258	0.8
535.40271	0.7
547.39941	1.2
561.41553	100.0
562.41870	3.0
579.42767	0.6
673.42731	0.5
705.45422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.9
67.05509	40.6
69.03433	1.8
69.06727	0.6
69.07076	7.5
69.32481	2.2
71.04997	12.0
72.94814	0.3
73.02919	2.1
73.06550	0.4
77.03879	0.4
79.05498	23.5
81.03425	1.3
81.07060	62.0
81.76069	0.3
82.07346	0.3
83.04994	2.9
83.08624	5.5
85.02908	6.7
85.06542	5.9
91.03973	4.1
91.04497	0.5
91.04900	0.6
91.05485	18.5
93.07048	27.1
95.04982	2.0
95.08611	19.9
97.02900	4.4
97.06551	2.8
97.10162	1.7
98.20788	0.7
99.04477	0.9
99.08088	0.9
105.04514	0.5
105.07036	10.6
106.67303	0.3
107.08601	15.6
109.02862	0.4
109.06529	1.1
109.10158	9.4
111.08097	1.5
113.05992	0.4
115.03938	0.3
117.07024	3.5
119.08596	6.2
121.10150	11.3
123.08064	0.6
123.11715	10.2
125.09623	0.6
127.03909	1.2
129.07033	0.4
131.08585	5.5
133.10143	13.0
135.08023	0.3
135.11705	7.6
137.13274	0.7
145.04965	1.8
145.10120	3.0
147.11697	2.7
149.09593	0.4
149.13275	4.9
151.11179	4.8
153.12761	0.4
155.08606	0.4
157.10202	0.4
159.11717	4.7
161.13263	2.1
163.06000	2.4
163.14810	0.4
169.12289	1.1
171.11746	0.6
173.13278	2.6
175.14841	0.6
177.12733	1.8
183.13814	2.0
185.13347	0.5
187.13307	2.2
187.14783	0.7
195.13863	0.9
201.14836	0.6
213.14886	0.4
225.14789	0.4
227.16499	1.3
229.14218	0.4
243.15962	1.1
243.21100	0.5
253.18010	0.3
257.17499	0.9
259.20563	0.5
261.22104	2.0
269.17474	4.8
273.21951	0.4
276.90750	0.3
282.76706	0.3
289.21774	0.4
301.20123	9.9
335.25824	20.6
411.32751	0.6
437.33987	1.0
445.24292	0.6
485.36209	2.3
503.37332	63.1
504.37613	1.6
511.37604	0.7
517.38995	1.9
529.38910	16.1
530.39502	0.4
547.39966	1.2
561.41528	100.0
562.41956	3.0
647.41553	0.7
654.51428	0.4
655.41833	0.4
691.44763	0.4
705.45947	2.2
892.45123	0.3
951.34442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.7
67.05510	65.3
68.99792	1.3
69.03435	5.3
69.07068	14.5
71.01362	2.3
71.03912	0.9
71.04989	3.7
71.34047	0.8
71.48656	1.2
73.02884	1.2
74.76765	0.8
77.03922	1.6
79.05498	48.4
81.03427	19.4
81.07063	60.1
81.86259	0.9
83.01345	1.9
83.04985	6.1
83.08630	11.5
85.02915	6.7
85.06574	1.9
91.03968	1.0
91.05489	37.8
93.03406	1.5
93.07048	48.8
95.01332	14.1
95.04976	13.0
95.08612	46.3
95.09235	1.1
97.02898	5.5
97.06546	6.2
97.10167	4.3
99.00791	1.2
99.08119	1.9
101.02369	2.1
103.05483	1.6
105.03405	2.0
105.04536	1.5
105.07039	29.3
107.04965	9.5
107.08606	25.2
107.09311	1.9
109.02887	3.5
109.06535	5.5
109.10165	29.8
111.00801	0.9
111.04488	1.3
111.08091	3.3
113.02388	1.8
115.05438	4.0
117.07026	13.0
119.04945	4.7
119.08590	22.4
121.02882	3.0
121.06511	9.7
121.10151	22.5
122.67341	1.0
123.00786	1.3
123.04465	7.7
123.08070	3.7
123.11735	7.0
125.02372	3.6
125.05990	0.9
125.09639	3.0
127.03930	2.0
127.07514	1.1
128.06236	2.8
129.07013	11.0
131.04945	4.9
131.08586	22.0
133.02844	1.6
133.06525	5.2
133.10143	19.9
133.11696	1.0
135.04439	7.7
135.08072	6.6
135.11693	13.2
137.02365	1.5
137.05968	3.4
137.09627	3.5
137.13249	1.8
139.03915	3.5
139.07559	1.4
139.11172	1.6
141.01840	2.9
141.06981	4.0
142.07811	1.9
143.04893	0.8
143.08559	8.5
145.06523	6.3
145.10136	14.5
147.04424	12.4
147.08034	5.0
147.11688	12.7
147.12793	1.0
149.02385	1.4
149.05977	6.2
149.09610	4.7
149.13277	7.7
151.03920	12.3
151.07573	1.0
151.11191	2.9
153.05574	2.1
153.06902	1.7
153.09100	0.9
154.07748	1.4
155.03517	0.7
155.08568	4.5
155.10646	1.4
157.06471	3.8
157.10144	9.7
159.04420	2.4
159.08055	2.9
159.11716	11.0
161.02350	1.5
161.06024	5.7
161.09676	4.5
161.13268	6.7
163.03937	5.4
163.07564	2.0
163.11162	2.5
163.14841	2.8
165.05524	2.8
165.06912	1.3
165.12836	1.2
167.03337	1.1
167.07234	0.9
167.08583	2.8
169.05002	3.3
169.06340	1.0
169.10176	5.9
171.04463	1.7
171.08101	2.0
171.11684	8.2
173.05975	3.8
173.09630	3.5
173.11792	2.3
173.13290	6.8
175.03935	8.6
175.07619	1.7
175.11232	5.8
175.14857	2.5
177.01804	0.9
177.05510	2.4
177.09251	1.0
177.12759	3.8
179.03375	2.5
179.07063	1.5
179.08554	1.9
181.06512	1.2
181.10136	3.1
183.08093	1.3
183.11656	3.9
184.07379	0.9
185.06023	2.7
185.09644	3.3
185.11670	0.8
185.13290	3.2
187.03978	1.9
187.07578	2.6
187.11195	6.6
187.14839	3.4
189.05452	2.6
189.09119	1.1
189.11218	1.2
189.12738	2.6
189.16556	1.0
191.03423	1.3
191.10664	1.4
191.14285	1.1
193.05002	3.2
193.10222	1.3
193.12271	5.7
195.11685	2.3
197.06088	1.1
197.09669	3.3
197.13261	3.0
199.04022	1.6
199.07607	1.3
199.11134	3.8
199.14844	1.9
201.09102	1.8
201.12711	1.2
201.16487	1.2
203.03465	2.0
203.07062	1.3
203.10648	2.5
205.04898	0.9
205.12173	6.0
207.13708	3.9
209.09631	0.9
209.13350	2.1
211.11366	1.6
211.13304	2.2
211.15009	1.5
213.05524	1.7
213.09129	1.7
213.12759	1.9
215.07045	1.0
215.10675	5.7
217.05006	0.8
217.12283	3.1
219.13742	1.1
223.11189	1.4
223.14861	1.1
225.09044	1.6
225.12817	1.1
227.10686	2.7
229.12308	1.2
229.14362	1.5
231.13789	1.2
233.11555	4.5
235.13191	1.1
241.12175	3.2
241.19736	1.7
243.10167	3.3
243.21095	4.4
245.11781	3.7
251.10530	1.2
251.12868	3.0
255.10211	2.3
259.13333	3.1
259.20633	3.2
261.11252	3.1
261.14832	1.7
261.22165	12.6
262.22540	0.9
263.12808	1.6
267.15924	3.4
269.11658	4.1
271.09967	1.4
271.13260	2.5
273.11023	1.3
275.12830	0.9
277.14453	1.5
279.12347	2.3
285.21851	1.2
287.12772	11.7
289.11014	1.2
289.14246	6.2
291.12354	1.2
297.11148	2.6
299.14862	5.2
303.23422	1.1
305.13870	6.9
307.15475	1.6
315.12274	9.6
317.24844	1.7
323.14899	2.0
333.13306	14.7
333.24268	3.2
335.25821	98.4
336.26236	3.6
351.14395	23.3
353.15884	1.7
363.17950	1.1
365.16034	1.4
369.15582	3.9
371.16974	1.1
407.17014	19.4
407.21964	1.6
425.18073	29.6
427.19675	2.4
435.32758	2.0
443.19159	29.4
444.19620	1.3
453.33847	2.0
461.20084	1.3
481.33633	1.0
509.36719	1.7
527.37433	11.6
528.37524	1.3
541.34814	1.1
545.38379	6.9
547.33429	1.7
559.36151	3.0
565.35156	2.3
575.33240	1.4
583.36084	0.9
587.23053	1.1
593.34662	3.4
607.36639	1.1
611.35938	7.8
613.37115	2.6
621.37799	1.8
623.39282	3.4
625.37183	2.6
629.36639	4.1
631.37909	2.8
637.36810	1.2
639.38892	1.2
641.40198	3.5
643.37585	1.5
647.37451	1.3
649.37189	3.6
657.39246	2.3
659.41254	1.5
667.38428	46.5
668.38055	1.5
684.38300	1.3
685.39459	77.1
686.39410	1.9
702.39178	1.4
703.40503	100.0
704.41132	4.3
721.41595	16.4
811.42609	1.2
829.43579	1.5
847.44531	9.9
865.44983	1.4
925.28735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	16.2
69.03410	2.8
69.07058	3.7
70.06573	2.3
71.04979	3.6
71.52940	0.9
71.53297	1.2
72.08132	0.9
79.05492	16.7
81.03420	44.9
81.07063	14.9
83.04990	4.6
83.08620	12.4
85.02882	3.5
85.06531	1.1
85.09072	1.0
91.03970	1.5
91.05487	16.2
93.07048	13.8
95.04975	18.8
95.08602	5.8
97.02887	3.8
97.06551	3.3
97.10167	13.4
99.08099	0.9
105.07019	10.9
107.04962	11.0
107.08597	9.9
109.06519	9.5
109.10176	6.1
111.04436	1.7
111.08064	4.0
115.05417	1.4
117.07001	4.8
119.04929	1.6
119.08588	8.1
121.06512	7.1
121.10154	6.3
123.04417	1.6
123.08094	4.6
123.11690	1.1
125.09640	12.3
129.07014	7.3
131.04904	2.1
131.08594	8.4
133.06485	4.0
133.10130	4.7
135.08049	3.7
135.11694	2.2
136.29567	1.0
137.09590	2.0
141.06995	1.9
141.84076	1.0
143.08556	2.1
145.06451	5.6
145.10107	4.4
147.04405	1.6
147.08066	4.8
147.11687	5.0
149.09641	4.6
153.09096	3.1
153.12775	1.4
155.08524	1.8
157.10139	7.9
159.08076	1.3
159.11714	2.7
161.05923	0.9
161.09688	1.7
163.11185	3.8
167.08406	1.0
167.10707	0.9
169.10112	1.3
171.08073	1.7
171.10223	1.9
171.11652	2.0
173.09654	1.5
173.13170	1.1
175.11160	5.3
177.12636	1.6
185.09586	1.5
185.13277	1.1
187.11223	1.8
187.14862	1.6
189.11232	6.3
189.12749	1.9
193.12253	15.4
195.11783	1.6
197.13225	1.5
199.11180	1.8
203.10678	1.1
211.13281	1.9
213.12766	1.7
215.14287	1.8
217.12206	1.2
219.13765	2.8
227.12746	2.6
233.15404	3.0
237.12744	1.4
243.13808	1.0
249.14786	1.3
255.13838	1.7
259.13321	1.8
267.15924	47.9
273.14819	6.8
289.14169	1.1
309.16895	1.0
339.22998	2.3
349.21561	4.1
357.24380	2.8
367.22775	14.5
385.23755	20.0
403.24759	4.8
441.26337	10.8
459.27432	100.0
460.27600	1.2
477.28500	93.2
478.29166	1.2
491.30093	11.5
501.28296	5.8
509.31137	5.7
513.28656	1.6
519.29108	1.5
531.29535	2.2
541.33203	1.5
543.29645	2.5
555.29474	1.2
567.29724	4.7
585.30310	1.7
826.59894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	14.9
68.05017	2.1
69.03433	1.8
69.07061	3.6
70.02966	1.1
70.06590	1.7
71.04976	1.1
71.25544	0.9
73.02915	2.4
74.00676	1.1
74.06059	0.9
76.02230	25.5
76.04006	2.5
79.05489	7.4
80.05021	2.1
81.03420	1.6
81.05816	0.6
81.07059	21.5
81.07529	1.1
82.06580	1.6
83.04993	1.7
83.06107	5.9
83.08614	3.8
84.03149	1.2
84.03689	1.9
84.04055	0.9
84.04505	10.4
85.01128	1.4
85.02904	7.8
85.06550	2.0
86.00656	4.3
86.98571	0.7
86.99050	3.7
87.02708	1.8
88.02209	2.7
91.03954	3.6
91.05476	7.2
93.06477	1.0
93.07052	16.3
93.07638	1.0
94.06586	2.5
95.04972	1.5
95.08621	5.9
96.04495	1.4
97.01118	8.2
97.02883	6.2
97.06528	3.7
97.10207	0.7
98.00587	0.5
98.06039	1.0
99.02686	1.9
99.04465	1.0
99.05583	1.5
99.08084	1.0
100.02218	2.0
101.04266	0.7
102.05564	4.0
103.05474	0.6
104.07083	0.6
105.07049	3.7
106.06561	0.8
107.04990	0.5
107.06069	0.5
107.08602	7.4
108.04507	0.7
108.08116	0.7
109.02925	0.8
109.06535	1.2
109.10175	1.8
110.06023	0.7
111.02666	13.7
111.07452	0.6
111.08066	2.6
112.02166	0.8
112.03967	0.8
112.07713	0.5
113.00632	0.9
113.04211	0.6
114.03754	2.6
114.05549	1.2
116.01682	21.7
117.07039	3.4
119.08609	2.2
121.06507	0.6
121.10152	5.0
123.02669	2.4
123.11686	1.4
124.02174	1.0
125.04298	1.6
126.03718	0.6
126.05536	1.1
127.02092	0.9
127.03964	1.2
128.05215	0.7
129.06592	7.8
130.05002	6.1
131.08583	5.8
133.10147	6.3
134.06033	1.1
135.02692	0.8
135.11691	3.7
136.03958	2.1
137.04207	7.5
137.09641	0.7
139.11218	0.7
140.07043	0.7
141.04805	1.0
142.03220	8.8
142.04999	0.9
143.02783	1.6
144.01146	10.4
145.05008	1.1
145.06145	1.7
145.10170	0.6
147.04414	0.8
147.11705	1.7
149.04311	1.0
149.09590	1.1
149.13263	14.0
151.05818	2.0
151.11221	3.7
153.06528	2.6
157.10091	0.8
159.11713	8.1
161.04131	0.9
162.02203	29.2
163.03888	0.7
164.07077	0.8
165.07408	1.2
170.02719	4.7
171.07692	0.6
172.04308	0.7
173.13280	1.9
175.05783	0.5
175.11208	0.8
176.07173	0.9
176.29456	0.6
177.03317	0.9
177.12738	7.6
179.04857	18.9
181.06139	1.7
181.83263	0.5
183.08395	1.5
183.11679	0.7
186.02264	1.2
186.07683	1.3
187.05379	5.0
187.13301	0.6
189.03319	2.8
190.15945	0.9
191.08881	1.3
192.06581	0.8
193.06151	1.1
194.15466	1.8
195.13779	6.4
198.13220	0.7
198.14896	1.0
199.05409	0.6
199.07208	0.9
204.08672	1.0
206.15317	1.1
207.12077	2.1
208.06102	2.7
209.09991	1.4
212.16522	1.8
213.14847	0.8
215.04880	3.6
217.06412	0.7
217.10448	4.5
218.04907	1.9
218.15430	1.7
223.11526	1.4
224.14642	1.1
224.16599	2.6
225.13153	1.6
226.12634	2.4
227.05060	0.8
233.05891	6.7
235.11523	6.6
236.16452	0.8
237.13274	0.7
238.07216	1.5
243.04333	1.3
243.15933	1.2
245.05948	2.8
252.14153	16.5
253.12524	3.3
268.19122	1.8
269.17477	17.4
270.15057	7.4
270.17880	0.6
274.09332	0.9
280.13708	1.8
282.20654	0.9
286.20239	1.2
289.05020	1.5
291.06522	1.4
298.14664	1.3
300.16443	0.7
308.09167	4.6
308.16895	0.7
309.15375	1.2
312.12750	2.6
326.17496	4.2
327.17181	4.0
344.18973	3.9
354.17435	1.8
355.16959	2.4
362.20078	1.5
371.16312	0.7
372.18436	1.3
373.17990	1.9
380.20840	1.9
381.18604	0.9
399.19644	2.4
411.19543	0.6
427.19205	0.8
429.20551	12.4
430.19141	1.7
447.21622	51.0
448.21591	1.0
465.22748	16.9
468.23352	0.5
501.22574	5.9
502.22037	1.5
513.22687	4.0
519.23804	9.1
557.21411	1.4
558.24890	4.6
575.22736	0.8
576.25861	23.2
577.24927	0.7
594.26953	100.0
595.27216	2.5
609.26715	3.3
618.26263	0.8
627.28375	3.3
636.27911	1.8
672.27716	2.0
681.29004	1.5
703.06366	0.8
720.29834	1.1
738.30811	4.0
756.32178	37.4
757.31592	0.9
789.33728	0.9
918.37592	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	916.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.2
67.05513	22.0
69.03417	4.9
69.07060	4.8
71.04977	1.2
71.53712	2.1
75.65472	1.5
79.05073	1.6
79.05500	22.4
80.80856	1.5
81.03416	3.4
81.07063	19.8
83.04979	1.6
83.08628	13.1
85.06523	1.6
91.05478	18.3
92.53727	1.3
93.07053	18.4
95.04980	2.7
95.08609	10.0
97.06546	1.2
97.10179	24.3
100.39636	1.1
103.05484	8.9
105.06510	1.2
105.07051	16.3
107.04974	2.8
107.08614	14.9
109.02899	1.8
109.06515	2.9
109.10167	6.8
115.05461	3.8
116.06240	1.4
117.06234	1.7
117.07026	24.0
119.08601	10.1
121.06461	1.8
121.10133	5.7
123.08036	1.5
125.09653	20.1
127.03876	1.3
128.06197	3.6
129.07024	12.5
130.07692	1.4
131.04958	2.3
131.08582	18.5
133.06502	4.2
133.10112	5.1
135.08072	5.0
135.11658	1.8
141.06978	7.0
143.08601	6.5
143.10687	1.6
145.06488	3.9
145.09108	1.3
145.10132	9.0
147.08063	1.5
147.11703	2.2
149.09647	2.4
153.09167	2.3
155.08589	6.7
157.06502	3.0
157.10153	4.0
159.08098	3.0
159.11678	2.8
160.49292	1.1
161.13332	1.5
167.08603	4.6
169.10120	5.0
171.08107	1.3
171.10236	2.1
171.11702	4.0
173.13242	2.5
175.11307	1.3
179.08615	2.1
181.10158	2.3
183.11703	1.6
185.13268	2.1
187.14853	5.5
189.11255	9.4
189.44910	1.4
195.11707	2.0
197.13274	7.6
207.11725	2.5
209.09500	1.7
213.12813	3.0
215.14326	29.6
217.12358	1.4
223.14890	1.4
227.12759	16.7
233.15291	2.1
241.12344	2.1
261.22211	1.5
269.15329	2.1
271.17001	2.3
292.69839	1.5
323.16568	1.6
335.25876	6.7
339.23032	2.2
347.65414	1.4
349.21579	5.4
353.29703	1.3
367.22855	9.6
385.23761	7.5
403.24701	3.8
441.26382	47.7
459.27457	100.0
477.28729	11.8
492.73227	1.3
517.96368	1.5
529.27795	2.1
550.66772	1.2
567.29547	2.0
585.30481	1.3
603.44226	1.4
719.48560	2.9
863.52039	3.6
881.52826	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	916.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	5.6
67.05508	68.4
69.03422	5.9
69.07069	18.5
69.42773	1.6
69.43178	5.2
71.04992	3.2
71.08624	0.9
71.92912	1.0
73.02909	1.4
74.60919	1.0
77.03938	2.1
79.05494	61.4
81.03419	12.6
81.07057	62.2
83.01337	2.9
83.04966	5.8
83.08147	1.7
83.08623	22.9
84.36946	0.9
85.02895	4.3
85.06542	2.1
91.03934	1.6
91.04900	1.7
91.05480	33.9
93.03408	2.3
93.07048	48.9
95.01328	12.8
95.04963	16.7
95.08608	42.9
97.02899	5.3
97.06520	3.0
97.10172	37.7
99.04480	1.5
101.02341	1.3
103.03953	0.9
103.05476	2.4
105.03411	2.0
105.04508	2.6
105.07028	20.6
107.04957	16.3
107.08599	35.7
109.02877	6.0
109.06513	3.7
109.10159	22.1
111.04443	2.7
111.08070	3.5
113.02401	1.9
113.05963	1.0
115.05466	2.4
117.07019	13.8
117.09444	0.8
119.04950	4.3
119.08582	16.6
121.02850	4.1
121.06499	5.2
121.10146	18.4
123.00784	1.8
123.04438	16.5
123.08073	3.4
123.11716	5.8
125.02361	4.0
125.09636	32.8
127.03918	1.2
128.06244	2.2
129.06995	8.1
130.05032	1.1
130.07785	1.1
131.04927	4.5
131.08572	18.3
133.06497	4.0
133.10146	14.1
135.04420	31.1
135.08076	6.0
135.11676	10.1
137.02336	3.4
137.05972	2.5
137.09628	1.3
139.03935	1.5
141.06976	5.1
142.07825	1.7
143.04893	1.8
143.08548	9.4
143.10677	1.6
145.06490	4.0
145.10133	12.8
147.04428	6.7
147.08061	3.9
147.11685	9.8
149.02371	4.9
149.06004	2.0
149.09630	2.3
149.13254	3.3
151.03902	57.3
152.06151	1.0
153.05481	2.0
153.06998	1.4
153.09123	4.5
155.03409	1.4
155.08528	5.1
157.06480	3.2
157.10144	7.3
159.04420	2.7
159.08046	2.7
159.11658	10.0
161.06000	3.5
161.09622	2.3
161.13309	5.7
163.03906	17.6
163.11162	3.2
163.14832	2.0
165.01866	5.5
165.05545	2.1
165.07016	3.1
167.03407	3.8
167.08580	3.7
169.04994	8.4
169.06375	1.6
169.10117	6.7
171.04369	2.0
171.08063	2.8
171.10141	4.8
171.11697	5.4
173.02420	1.4
173.04509	2.4
173.06013	3.1
173.09599	3.4
173.13287	6.7
173.44415	0.9
175.03896	6.4
175.11220	3.3
175.14825	2.6
177.01839	3.8
177.05493	2.6
177.12848	1.3
179.03441	4.8
179.08543	2.1
181.06522	1.1
181.10109	4.1
183.08073	4.6
183.11678	3.6
185.05989	3.0
185.09653	5.8
185.13261	3.7
187.03896	4.6
187.07567	2.5
187.11209	4.4
187.14844	2.4
189.01866	2.7
189.05496	9.1
189.09296	1.4
189.11217	15.1
189.12746	1.6
191.03433	6.5
191.10692	2.1
193.04987	3.3
193.10123	3.4
195.08052	3.5
195.11702	2.7
197.09621	3.0
197.13213	3.0
199.03917	23.2
199.07550	1.5
199.11201	3.4
199.14780	2.3
201.05461	3.1
201.09123	3.1
201.12723	1.7
203.03406	1.5
203.10690	4.6
205.04938	5.4
205.12064	1.1
207.11749	2.3
209.09706	1.6
211.07530	3.3
211.11240	3.1
211.14877	1.3
213.05540	2.0
213.09119	6.5
213.12807	1.5
215.03406	1.7
215.07045	1.3
215.10696	3.7
217.04987	2.2
217.57590	1.1
221.04474	5.1
221.09566	1.4
221.13271	2.3
223.07613	1.6
223.11211	1.3
225.09111	2.7
227.10666	2.4
227.12794	6.9
229.04944	3.4
229.08540	1.7
229.12166	1.9
229.14142	1.3
231.10132	6.7
233.11584	1.2
237.08957	1.8
239.07124	1.3
239.10686	3.1
241.08641	2.2
241.19589	1.6
243.10110	5.8
243.21143	1.7
245.11581	2.1
245.13860	1.3
247.09590	2.4
249.09137	1.1
251.05283	4.5
253.08606	1.7
255.10181	6.7
257.08087	4.5
257.11700	4.1
259.20615	4.2
261.11206	2.9
261.22165	4.5
267.10245	3.6
269.11771	3.1
271.09613	3.3
271.20715	1.0
272.20142	1.9
273.11270	3.3
275.12698	2.0
283.09717	1.6
285.11221	5.3
285.22183	3.6
287.12851	2.4
289.10788	4.7
295.09711	1.8
301.10794	3.9
303.12219	8.8
303.23111	1.2
305.14047	1.3
307.11884	1.2
311.25882	1.2
313.10669	4.3
313.27466	1.5
315.12357	1.2
317.24490	1.2
319.11826	3.3
321.13339	7.0
331.11890	7.9
333.13351	2.3
333.24313	4.8
335.25809	71.3
339.14615	1.5
349.12802	11.3
351.14371	2.3
357.13483	2.5
363.14514	1.2
363.25226	3.4
367.13846	6.2
375.14349	10.4
393.24124	2.8
395.17087	1.2
405.15533	3.9
421.23792	3.3
423.16504	57.8
425.17834	3.0
433.31052	2.2
439.24728	2.9
441.17606	44.7
457.25461	1.7
459.18411	3.3
525.35925	8.9
526.36359	6.2
537.29065	1.1
543.29968	1.5
543.37378	2.1
545.32153	1.9
555.31207	2.4
563.33319	2.9
565.35187	1.4
573.31769	4.7
577.34900	1.3
581.34839	2.6
591.33093	5.8
609.34363	9.7
617.34680	3.8
619.36578	2.4
621.38196	1.2
623.35730	1.8
627.35150	4.5
629.33929	2.8
635.35803	25.3
637.37231	2.5
639.38416	1.2
645.35425	1.6
647.35681	7.3
653.36584	2.6
655.38403	4.6
665.36920	24.6
673.39410	2.6
683.37891	70.1
701.38947	100.0
702.38800	2.3
719.28229	1.5
719.40045	27.1
800.91998	1.1
845.42419	1.4
916.55267	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	914.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.6
67.05506	12.4
67.05847	0.4
69.03400	1.9
69.07072	6.0
71.01323	0.6
71.02348	0.8
71.04961	1.4
71.08637	15.8
73.02879	1.3
79.05501	6.1
81.03419	48.5
81.07059	14.3
83.04987	3.1
83.08624	16.6
85.02917	4.2
85.06527	0.8
85.10186	10.7
87.88532	0.5
89.06021	0.8
91.03962	3.4
91.04917	0.5
91.05484	9.0
93.06590	0.4
93.07048	4.9
95.04390	0.7
95.04972	14.8
95.08611	15.4
97.02902	3.5
97.06541	1.1
97.09624	0.5
97.10172	5.2
99.04471	1.0
99.11723	0.8
103.07546	0.9
103.69149	0.4
105.07034	6.7
107.04950	4.3
107.08598	3.2
109.02891	0.7
109.06502	1.8
109.09497	0.5
109.10157	7.4
111.04427	1.3
111.08092	4.9
111.11698	0.7
115.05412	0.9
117.06973	0.9
117.09103	0.6
119.04977	0.5
119.08591	7.8
121.06494	1.3
121.10155	4.0
123.04389	1.2
123.08040	1.3
123.11718	3.3
125.09625	0.8
127.03880	1.6
128.06116	0.5
129.07008	5.7
131.08580	5.0
133.06441	1.7
133.10126	2.8
135.11725	1.0
137.09601	1.1
137.13231	1.0
142.07755	1.6
143.08507	0.8
145.04933	1.7
145.10159	0.7
147.04419	0.6
147.07988	2.0
147.11682	4.8
149.09628	3.5
157.10127	7.1
163.06055	2.8
163.11200	1.1
165.12767	1.5
171.11766	0.5
175.11185	5.9
193.12247	22.8
211.13254	1.5
221.15416	0.5
235.13312	1.2
239.23674	1.8
249.14978	1.2
257.24872	2.5
259.13281	1.7
267.15921	100.0
268.16415	1.0
273.14865	0.9
301.14444	1.8
309.16949	3.1
311.22577	0.4
313.27374	92.9
314.27817	1.2
319.15317	0.8
333.16986	1.0
335.25882	0.6
352.83163	0.5
358.48706	0.4
393.19012	0.7
429.20694	0.5
505.38907	84.1
506.39481	1.3
523.39966	3.6
547.39886	5.9
555.40460	1.6
565.40894	1.0
589.41016	1.2
601.41058	3.1
613.41083	2.3
631.42303	2.8
645.34070	0.5
649.43018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.9
67.05508	81.7
69.03424	3.8
69.07076	11.2
71.04994	19.7
73.02921	3.5
77.98576	1.1
78.21422	1.2
79.05495	29.9
81.03414	2.3
81.07061	41.6
83.04968	3.9
83.08624	8.2
85.02910	12.5
85.06531	4.2
86.09708	5.7
91.03955	6.7
91.04918	1.6
91.05483	25.0
93.06484	2.6
93.07050	40.9
95.04980	4.1
95.08615	25.1
97.02896	5.7
97.06532	4.0
97.10172	2.8
99.08085	2.3
105.04574	1.5
105.07047	10.0
107.08596	21.5
109.06494	3.0
109.10163	52.8
111.08092	3.4
117.07026	4.5
119.08578	17.4
121.10149	17.4
123.08069	1.5
123.11691	2.7
125.00011	4.4
127.03929	2.4
131.08594	6.8
133.10120	9.9
135.11722	16.7
137.09621	8.8
143.08591	2.3
145.04951	3.2
145.10141	9.5
147.11725	6.1
149.02411	2.0
149.13248	3.6
151.11218	1.4
155.10698	3.0
159.11699	5.6
161.13307	3.1
163.06003	2.8
163.11172	2.5
171.11691	1.7
173.11720	7.1
173.13293	3.9
184.07346	19.4
185.13219	1.3
187.13303	1.7
187.14859	1.4
199.13231	1.7
209.78711	1.2
213.14844	2.6
228.36964	1.5
229.14464	1.5
230.15434	1.8
243.15862	4.1
255.15985	6.1
261.22174	4.1
287.18546	26.4
317.24762	1.4
335.25757	18.5
337.27426	2.3
364.14624	1.3
379.29578	1.7
397.30807	2.3
423.32166	1.9
441.33475	1.8
471.34903	6.5
489.35773	87.3
490.36267	2.0
497.36496	3.8
503.37640	2.9
515.37372	36.1
516.01282	1.5
529.38593	3.0
533.37982	2.2
547.39990	100.0
548.40143	2.7
555.20630	1.4
565.40625	1.9
808.38281	2.1
906.48730	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	906.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.3
67.05508	63.7
69.03425	2.4
69.07068	9.2
69.50051	1.9
69.50463	3.8
71.04990	14.0
71.07375	1.9
71.91404	0.6
73.02914	2.1
79.05493	24.9
81.03412	2.8
81.07059	30.9
83.04993	3.9
83.08615	5.4
85.02901	7.9
85.06538	2.5
86.09708	13.8
91.03957	5.9
91.04906	1.0
91.05484	17.8
93.07047	31.6
95.04989	3.5
95.08611	23.4
97.02907	5.6
97.06541	3.3
97.10168	2.4
98.98483	1.5
99.04482	0.9
99.08108	0.8
105.07031	9.7
107.04913	1.0
107.08597	17.5
109.06499	1.2
109.10160	49.6
111.08090	3.1
115.03835	0.8
117.07009	4.3
119.08588	15.3
121.06497	0.9
121.09327	1.2
121.10147	14.3
121.10940	1.3
122.61475	0.6
123.08044	1.2
123.11723	2.6
124.99998	9.5
125.09624	1.0
127.03951	2.1
131.08565	6.6
133.10155	6.7
135.11697	13.5
137.09601	7.0
138.40335	0.7
139.11150	1.1
145.04944	2.5
145.10127	4.7
147.11670	3.5
149.02380	1.6
149.13266	3.6
151.11180	1.1
155.10651	2.3
157.10197	0.7
157.11647	0.7
159.11720	3.3
161.13269	2.5
163.06023	3.0
163.11195	3.2
163.14857	1.0
166.39023	0.7
169.12184	1.2
171.11696	1.3
173.11757	6.5
173.13255	2.1
175.14801	1.2
181.12294	0.9
184.07347	42.9
187.13310	0.9
187.14893	1.0
191.40953	0.8
193.04991	0.8
199.49745	0.7
229.14401	0.9
243.15948	2.0
245.75400	0.7
255.16011	4.4
259.20752	0.8
261.22128	3.8
269.17401	0.8
287.18539	13.7
312.32773	1.1
335.25797	23.4
346.45279	0.7
397.31192	1.2
423.32462	1.5
471.34647	3.2
489.35748	82.1
490.36307	1.5
497.36401	1.7
503.37442	1.9
515.37335	21.6
529.39417	1.7
533.38202	1.7
547.39954	100.0
548.40387	2.3
691.43951	1.9
888.48840	1.4
906.49878	9.6
940.20667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.5
65.67426	1.1
66.97781	1.1
67.05508	76.1
68.05833	2.7
69.03438	4.7
69.07071	16.5
71.04999	9.5
71.53093	1.6
73.02929	6.8
79.05499	38.7
81.03419	11.1
81.07059	100.0
82.03760	2.3
82.07401	2.2
83.04984	6.6
83.08624	16.3
85.02907	13.1
85.06538	8.2
86.09724	1.8
91.03951	7.8
91.05479	33.6
91.06019	2.2
93.07047	54.2
94.07375	2.2
95.04967	6.8
95.08611	42.0
95.40113	1.3
96.08952	2.1
97.02888	8.1
97.06549	7.7
97.10175	5.4
99.04446	2.8
99.08092	2.0
105.04508	1.8
105.07031	18.9
107.04955	1.7
107.08604	30.8
109.06518	2.6
109.10159	20.1
111.08067	6.3
117.07023	9.2
117.32579	1.2
119.08585	14.1
120.08931	1.7
120.86077	1.2
121.06470	2.8
121.10139	19.3
123.08099	1.8
123.11701	13.4
125.09628	1.5
127.03966	2.3
129.07025	3.5
131.08578	16.0
133.10130	18.4
135.08067	2.1
135.11702	18.2
135.81595	1.3
137.13333	1.4
139.11211	1.5
142.59270	1.2
145.04973	3.1
145.10121	6.8
147.11720	9.2
148.12044	1.3
149.09639	2.2
149.13261	18.3
151.11189	4.9
153.12753	1.5
153.44086	1.3
153.69524	1.2
157.10143	3.0
159.11691	13.0
161.13239	5.4
161.66769	1.2
162.36424	1.2
163.06033	2.3
163.11205	1.3
163.14803	1.4
171.11766	1.5
173.13281	4.5
175.11172	2.1
175.14725	1.7
177.12793	4.1
177.16507	1.4
179.14299	1.3
183.97176	1.3
184.07350	5.4
187.13275	5.5
187.14812	2.7
189.16432	1.5
193.12274	3.3
195.13834	5.7
203.03268	1.5
211.13313	4.1
212.13623	2.1
213.14937	2.1
241.14220	1.8
243.15933	25.0
243.21021	2.3
261.22156	8.4
267.15955	2.7
269.17462	22.8
270.56366	1.4
284.15942	1.4
285.16861	3.6
286.17288	2.0
287.18561	32.5
287.23529	2.0
325.69986	1.5
335.14911	1.3
335.25815	52.9
336.26233	6.5
337.26602	2.8
361.27515	1.5
380.94095	1.3
423.27524	1.4
431.22549	2.1
437.33801	2.3
455.34933	2.4
489.35590	2.4
492.91632	1.5
503.37347	98.1
504.37671	1.4
511.38055	1.7
521.38123	3.9
529.38922	36.8
545.38232	7.1
546.38947	10.1
547.39789	60.1
553.52545	1.7
681.34863	1.6
691.43341	4.9
713.22949	1.7
744.53912	2.9
906.59290	6.5
907.46399	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	906.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	1.1
67.05507	52.7
69.03431	2.3
69.07075	11.2
69.33248	5.9
71.05001	5.2
73.02924	2.3
77.03956	0.7
79.05493	28.2
81.03417	5.0
81.07061	71.2
83.04993	5.1
83.08621	8.3
85.02906	9.3
85.06550	7.4
86.09718	4.0
91.03961	5.3
91.05482	18.2
91.06018	1.3
93.07049	40.0
95.04993	2.3
95.08611	26.7
97.02895	5.3
97.06540	6.5
97.10178	1.7
99.04494	0.8
99.08102	1.3
105.07040	12.7
107.05028	1.1
107.08598	22.4
109.02941	0.8
109.06526	1.7
109.10157	13.3
111.08093	4.3
111.11724	0.9
113.06033	0.9
113.72540	0.7
117.07003	7.0
119.08578	6.4
121.06522	1.3
121.10149	15.4
123.11724	7.9
125.00021	3.1
127.03959	2.2
129.05530	1.2
131.08568	9.3
133.10146	12.5
134.06117	0.8
135.08092	1.3
135.11700	11.6
145.05009	2.2
145.10133	3.5
147.11694	5.0
149.13264	13.7
151.11215	3.5
153.12862	1.0
157.10149	1.1
159.11717	10.3
161.13266	2.3
163.06029	1.9
163.14890	1.7
169.12225	1.7
171.11803	0.8
173.04521	1.8
173.11913	0.9
173.13286	3.4
175.14874	2.0
177.12794	3.7
179.14340	1.1
184.07344	14.3
187.13371	5.3
187.14844	1.5
195.13828	4.5
213.14810	1.5
229.14363	1.2
241.14465	2.2
243.15933	22.0
243.21135	1.3
261.22171	7.5
269.17471	25.4
278.26080	0.8
285.17105	0.8
287.18552	18.1
287.23608	1.3
317.24942	0.9
335.25812	45.5
336.26224	2.2
361.27499	1.5
393.31622	0.9
431.22867	0.8
455.34839	1.0
489.35977	1.1
503.37332	100.0
504.37701	2.2
521.38251	3.4
529.38855	11.5
546.38770	1.2
547.39954	47.0
585.01617	1.0
614.77856	0.9
673.43109	2.0
691.44312	7.8
744.42938	2.1
838.87262	0.8
906.50128	2.8
915.11047	0.9
920.71021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.7
67.05508	61.3
69.03417	3.2
69.07072	17.0
71.05000	4.0
73.02904	2.3
73.06558	0.7
77.03901	1.4
79.05496	51.7
81.03421	13.2
81.07059	62.3
83.04976	5.6
83.08626	14.2
85.02901	5.4
85.06524	2.2
91.03953	2.3
91.05483	31.4
93.07048	68.6
95.01321	2.1
95.04968	11.3
95.08611	66.4
97.02891	6.3
97.06525	7.1
97.10159	3.9
99.04443	3.4
99.08103	1.6
103.05446	1.8
105.04525	1.3
105.06306	1.2
105.07034	23.7
107.04955	11.4
107.08598	42.1
109.02882	1.0
109.06524	4.2
109.10162	18.4
111.04453	1.7
111.08082	2.8
111.44208	0.7
115.05446	1.3
117.07021	15.0
118.52187	0.9
119.04940	1.0
119.08585	22.3
121.02866	1.1
121.06521	9.8
121.10149	30.5
123.04443	1.1
123.08080	1.9
123.11718	6.1
125.02344	1.9
125.05994	3.1
125.09606	1.7
127.03861	0.9
128.06255	0.9
129.07024	4.9
130.07825	1.5
131.08578	13.9
133.06517	1.9
133.10141	16.0
135.04359	1.8
135.08090	4.3
135.11699	55.8
137.05957	1.4
137.09608	1.8
137.13257	1.6
139.03920	1.3
139.07492	2.2
139.11168	0.8
141.01866	1.1
141.06905	1.9
143.08560	5.2
145.04904	1.2
145.06416	1.7
145.10132	38.1
147.04419	2.0
147.08058	2.3
147.11678	7.0
149.05992	1.3
149.09647	1.8
149.13269	7.0
151.11234	1.3
153.12743	1.3
155.08574	1.8
157.10110	4.5
159.11685	9.3
161.13248	5.1
163.03993	1.1
163.11186	57.5
163.14825	1.5
165.12750	1.3
169.10132	3.1
171.11690	6.0
173.05981	1.0
173.09703	1.2
173.13269	6.1
175.14821	1.7
177.12737	3.4
179.14340	0.8
181.10138	1.8
181.12231	10.0
183.11700	3.3
185.13260	2.8
187.11208	1.4
187.14830	2.6
189.12695	1.8
191.14178	1.0
195.11578	1.3
197.13252	1.9
201.12625	1.3
201.16441	1.3
203.14214	1.2
205.12238	1.0
205.15919	0.8
207.13768	8.7
209.11676	1.5
211.11224	0.9
215.14355	0.8
219.13902	0.9
223.14873	0.9
227.12787	65.8
229.52788	1.1
233.15346	1.5
243.13971	1.2
243.21092	2.2
245.15524	0.8
259.20502	1.5
261.14877	4.2
261.22189	8.6
263.20334	0.8
275.13062	0.9
283.15414	95.6
284.15652	0.9
289.14340	5.4
293.13983	1.2
301.21576	1.0
307.15424	5.9
317.24759	1.8
325.16370	2.4
333.24164	2.3
335.14825	2.6
335.25809	100.0
336.26294	1.8
353.16016	2.4
427.19635	23.5
437.34311	2.0
445.20486	1.6
510.35788	0.7
511.37823	1.9
529.38922	27.1
530.39600	1.2
543.36841	93.1
544.37268	1.8
549.35333	1.0
559.34082	1.0
561.37646	1.4
567.37097	1.0
595.37115	1.6
613.37305	3.9
615.38751	1.1
633.37628	1.1
651.38422	1.5
658.71228	1.0
669.39551	1.8
687.30133	1.0
687.41052	18.4
705.42078	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	2.3
67.05505	48.9
67.05836	1.8
67.06005	1.7
69.03415	2.6
69.07068	16.4
70.63603	0.5
70.96278	1.0
70.96620	0.9
71.04988	3.3
73.02870	1.3
79.05494	39.3
80.34790	0.5
81.03419	9.6
81.07056	50.5
83.04991	3.9
83.08621	9.2
85.02904	4.4
85.06491	2.3
90.41779	0.5
91.03903	1.5
91.05479	23.0
93.07044	52.8
95.01289	2.1
95.04966	9.0
95.08607	52.0
96.08896	0.7
97.02881	4.8
97.06535	4.8
97.10152	2.8
99.04410	2.0
99.08044	1.4
103.05420	1.1
105.04492	1.2
105.07030	19.5
107.04306	0.5
107.04955	7.4
107.08593	33.0
107.61677	0.5
109.02788	0.8
109.06520	3.6
109.10154	15.1
111.04398	1.3
111.08084	2.7
115.05383	1.4
117.07027	13.1
119.04862	0.5
119.08581	19.3
121.02879	0.7
121.06512	8.0
121.10144	23.3
123.04408	1.2
123.08087	3.0
123.11698	4.8
125.02321	1.6
125.05919	2.3
125.09642	1.1
127.03886	1.3
128.06213	0.7
129.07018	5.0
130.07738	1.6
131.04907	1.2
131.07622	0.9
131.08565	12.2
133.06476	1.3
133.09146	0.6
133.10127	11.2
135.04338	1.5
135.08089	3.0
135.11693	37.7
137.05934	1.0
137.09584	1.7
137.13245	1.4
139.03825	0.8
139.07501	0.9
139.11140	1.0
141.01836	1.3
141.06952	1.4
143.08585	5.0
145.06441	1.5
145.10123	24.6
147.04329	1.5
147.08031	3.0
147.11696	6.3
149.05913	1.1
149.09569	2.1
149.13248	4.4
151.03969	0.6
151.11159	0.7
155.08525	2.3
157.10109	3.8
159.07999	0.7
159.10481	0.6
159.11696	7.5
161.13268	5.3
163.03871	1.6
163.07503	1.0
163.11186	40.1
163.14778	2.0
167.08414	0.7
169.10066	2.0
171.11693	5.5
173.09521	2.0
173.13261	5.5
175.11095	0.9
175.14795	1.7
177.12730	2.9
177.16344	1.0
179.14235	0.7
180.44273	0.6
181.10144	1.2
181.12184	6.6
183.11633	2.0
185.09563	0.6
185.13217	2.3
187.11128	1.4
187.14845	2.5
189.12686	2.1
191.14304	0.6
195.11685	0.8
197.13290	1.2
199.11189	0.6
199.14798	1.4
201.12755	1.2
201.16275	0.8
205.12175	1.0
207.11894	0.7
207.13770	9.3
209.11548	0.7
209.13319	0.6
211.14919	0.6
213.16408	1.0
215.10716	0.5
215.14282	0.8
215.17900	0.5
219.13878	0.8
225.14760	0.6
227.12775	39.0
231.17346	0.8
233.15446	1.5
235.17088	0.5
237.16357	0.5
243.13780	1.8
243.21077	2.3
259.20544	1.6
261.14825	4.1
261.22150	7.5
271.13071	0.6
283.15399	44.4
285.22043	1.1
289.14313	5.8
291.16013	1.0
293.13647	0.6
299.23853	0.5
307.15305	4.3
309.22031	0.5
315.23270	0.5
317.24707	2.0
325.16345	2.1
333.24252	0.9
335.14917	1.8
335.25797	100.0
336.26117	1.4
339.26761	0.6
353.15994	2.6
390.51822	0.5
390.66119	0.5
427.19632	23.3
429.20950	0.9
437.34277	2.0
455.35150	1.0
469.23822	0.6
511.38208	1.1
513.34137	0.8
529.38892	22.8
530.39087	1.2
531.34613	0.7
543.36835	84.2
544.37177	1.4
549.36053	1.2
559.34467	0.8
577.35046	1.1
583.31158	1.1
595.36145	1.3
613.37164	4.5
631.38501	1.4
633.38165	1.2
641.40485	1.1
651.39294	1.1
669.40094	3.0
687.41016	18.5
694.71521	0.6
705.42029	33.5
706.42462	0.9
740.46820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.5
67.05513	25.7
68.99818	1.0
69.03430	4.3
69.07074	5.6
69.85950	3.4
70.06588	1.4
71.01352	2.5
71.05001	2.3
78.61913	0.6
79.05067	1.3
79.05506	20.2
81.03428	46.9
81.07068	24.0
83.01341	1.0
83.05003	6.6
83.08625	12.2
85.02903	4.1
85.06541	1.7
91.05489	25.3
93.03358	0.9
93.07050	17.3
95.01350	7.6
95.04977	19.5
95.08617	13.0
97.02915	5.6
97.06536	3.6
97.10181	9.0
99.04420	1.0
101.02379	1.8
103.05470	2.3
105.03445	1.7
105.04522	0.9
105.07040	17.5
107.04964	10.9
107.08601	11.9
109.02880	3.2
109.06512	6.1
109.10164	10.1
111.00823	1.5
111.04489	3.6
111.08089	4.7
113.02340	1.2
115.05470	2.1
117.07028	10.0
119.04932	4.6
119.08596	14.9
120.68089	0.8
121.02855	2.2
121.06522	9.6
121.10161	7.2
123.00737	0.8
123.04419	6.1
123.08080	4.5
123.11724	0.7
125.02370	1.9
125.06019	1.0
125.09655	6.2
127.03914	1.5
127.86632	0.8
128.06181	1.3
129.07025	12.7
131.04939	5.8
131.08582	13.2
133.02867	1.3
133.06505	6.3
133.10149	12.1
135.04442	6.8
135.08055	5.4
135.11684	2.0
137.02388	1.5
137.05966	3.0
137.09616	2.3
139.03880	1.9
141.01820	2.7
141.07001	4.9
142.07819	1.9
143.04971	0.9
143.08554	6.2
145.02838	1.0
145.06523	6.9
145.10118	6.1
147.04427	10.7
147.08058	6.2
147.11703	6.8
149.06015	3.8
149.09653	5.4
149.13266	0.8
151.03900	4.2
151.07532	1.0
151.11212	2.2
153.05556	1.1
153.07036	1.6
153.09103	1.8
155.03394	1.0
155.08534	4.6
155.10709	0.9
157.06499	4.6
157.10162	10.3
159.04411	2.2
159.08092	3.9
159.11713	4.3
160.05206	1.1
161.02347	1.3
161.05994	4.2
161.09610	4.0
163.03883	5.6
163.07600	1.1
163.11197	4.5
165.05573	1.7
165.06952	1.1
165.12755	2.2
167.03427	1.2
167.07242	0.9
167.08589	2.9
169.05048	0.9
169.06511	2.6
169.10152	3.3
170.07315	0.9
171.04445	2.1
171.08058	5.6
171.10280	1.0
171.11707	3.2
173.06000	4.1
173.09679	4.3
173.11745	2.4
173.13177	1.0
175.03900	4.9
175.07581	2.1
175.11217	10.2
177.05460	3.1
177.12744	2.7
179.03400	2.1
179.08606	2.5
181.06520	1.8
181.10158	2.4
183.08139	3.4
183.11717	2.2
185.06007	3.2
185.09671	2.6
185.13258	1.5
187.03951	2.3
187.07573	3.0
187.11223	4.9
189.05507	2.5
189.09164	2.1
189.11218	2.1
189.12790	2.1
191.03342	1.3
191.08694	0.8
191.10655	1.5
193.04930	1.1
193.10365	1.4
193.12277	13.3
195.08064	2.5
195.11729	1.8
197.05972	4.0
197.09648	2.7
197.13304	1.3
199.04013	1.4
199.07596	2.7
199.11246	4.4
201.05441	1.7
201.09186	1.8
201.12872	1.6
203.03363	0.8
203.06955	0.9
203.10666	2.4
205.10402	0.8
205.12270	3.0
207.13840	1.9
209.06017	0.9
209.09697	1.6
209.11577	1.0
211.07581	2.4
211.11276	1.8
211.13336	3.4
213.05519	2.7
213.09140	2.3
213.12740	2.2
215.07001	1.3
215.10680	2.9
215.12527	1.0
217.04976	1.1
217.12299	2.7
219.13776	1.8
221.09584	1.0
223.11180	2.4
223.13290	1.7
225.09180	2.4
225.12840	1.8
225.14824	1.3
227.07170	1.2
227.10620	2.0
227.12825	1.7
229.12273	1.4
229.14368	1.6
231.13773	1.5
233.09648	1.3
233.11752	2.4
235.13341	1.9
237.09201	1.5
237.12932	1.0
241.12288	2.1
243.10242	2.7
243.13831	1.3
245.11778	2.7
247.13272	1.1
249.12799	1.3
249.14967	1.6
251.10616	1.9
251.12827	1.6
255.10274	1.5
255.13887	1.8
259.13235	3.7
261.11276	2.4
261.14969	1.4
267.15967	33.5
269.11642	4.2
271.13220	3.8
273.11246	1.1
273.14822	1.8
281.15381	1.1
287.12808	10.2
289.14639	3.8
293.15347	1.0
295.13278	1.9
297.10941	0.9
297.15115	1.0
299.12656	1.1
301.14334	1.7
305.13852	2.3
307.12811	1.0
309.14783	1.6
311.12781	3.4
311.16211	1.5
313.14514	1.2
315.12283	5.8
317.16068	0.9
325.14261	1.8
327.12329	2.6
327.15897	1.5
329.13965	2.7
333.13416	6.2
337.14191	1.2
341.13968	0.9
343.15033	1.1
349.21692	1.7
351.14523	5.3
353.13754	1.1
355.15512	1.1
367.22791	2.4
373.21826	1.0
375.19171	1.2
377.20993	0.9
385.16342	3.4
385.23721	2.1
389.20844	0.8
391.22623	3.1
395.22110	1.4
397.24298	1.2
401.20920	2.2
403.17899	1.2
407.17014	5.4
407.21921	1.5
409.18188	0.9
409.23657	2.2
409.88525	0.8
419.22003	3.8
421.19925	1.1
425.18018	5.9
425.23120	1.5
427.19104	1.0
429.20544	2.1
435.21616	1.0
437.23242	3.4
443.19012	6.7
447.21472	3.6
459.27667	6.5
463.25156	1.3
465.22748	4.2
477.28391	2.7
479.24359	1.1
483.23862	2.8
491.26559	2.2
497.25229	2.4
507.24243	1.0
511.27075	1.6
513.24664	0.9
515.26331	1.1
521.25549	1.9
525.24725	1.6
537.28540	1.2
539.26471	36.6
543.25812	2.2
545.27454	2.6
555.30005	1.6
557.27527	100.0
558.27643	2.8
561.26910	0.9
563.27643	1.2
571.28955	1.1
573.30511	2.0
575.28638	26.9
581.27441	10.7
589.30194	2.1
599.28546	31.5
615.28485	1.2
616.28217	1.1
617.29590	76.8
618.29620	1.9
635.30701	52.3
641.29712	1.6
649.31866	2.6
653.31836	6.4
659.30249	2.3
667.31836	3.2
677.31598	2.3
685.30414	1.7
701.31659	1.9
707.29700	1.1
725.32111	1.4
743.32050	2.8
761.33521	3.9
779.34766	5.9
797.35126	1.0
900.48651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04321	0.9
65.03942	1.4
66.56072	0.9
68.99791	13.3
70.34361	2.2
70.34719	1.8
77.03896	1.1
81.03415	3.6
85.02911	1.0
95.04956	2.3
99.04503	1.1
105.03391	1.9
109.02882	7.8
111.00799	14.7
111.04445	2.0
119.04965	2.1
121.02894	1.8
123.04429	29.0
127.03921	95.3
133.02843	6.1
135.04413	3.1
137.06047	1.0
139.03903	78.9
147.04398	12.1
149.02319	4.6
149.04710	0.9
150.03177	1.3
151.03903	45.2
153.01770	1.9
153.05466	2.3
155.03398	7.2
159.04482	1.8
161.02391	1.7
161.05992	3.2
163.03931	8.3
165.05527	5.9
167.03416	4.0
169.05077	4.7
169.06314	1.6
171.04410	2.9
173.06032	2.2
175.03931	16.0
177.01843	1.2
177.05447	9.5
179.03398	68.9
180.03772	1.2
181.04921	1.8
185.06001	2.8
187.03908	1.9
189.05437	6.1
191.03391	10.5
193.05002	2.8
197.05946	1.3
199.03871	5.6
201.05438	4.3
203.03391	28.9
203.05208	1.7
205.04980	2.3
211.03912	1.1
213.05394	6.2
215.03355	2.1
217.04988	8.3
219.02902	1.3
219.06467	1.5
221.04610	1.8
223.02364	1.7
225.05475	1.5
227.03455	2.0
229.04996	7.7
231.06522	2.9
233.04468	5.5
241.05005	4.4
245.04459	100.0
246.04857	1.5
247.06039	3.3
253.04968	1.6
257.04459	15.8
259.05991	5.2
263.05502	51.8
265.05048	1.0
269.04462	7.0
271.06039	4.2
273.07684	1.2
275.05508	29.7
277.07083	2.8
283.05966	1.8
285.04077	1.2
287.05499	74.4
291.08612	19.7
295.06021	1.4
297.04019	1.9
299.05466	17.6
305.06558	31.0
311.05542	2.8
317.06558	15.1
319.05948	1.2
321.07642	1.2
329.06424	1.5
337.06900	1.3
339.04959	1.9
347.07852	2.4
349.07083	2.3
351.04797	2.0
377.06943	1.7
381.06201	1.6
393.06000	2.6
395.07471	1.3
395.31738	0.9
399.07013	2.1
405.06067	7.1
407.07672	1.9
409.09348	4.9
413.08649	10.2
417.06097	2.4
423.07141	25.9
425.08621	14.6
427.10318	7.0
435.07034	7.0
437.08420	1.5
441.08163	15.6
443.09781	14.1
447.07086	1.4
451.10367	2.9
453.08008	5.3
455.09445	1.8
465.08008	4.8
469.10660	1.3
483.09311	1.6
505.48199	1.1
532.53833	1.0
543.08954	2.0
545.10773	2.0
549.09912	3.1
561.10022	3.3
567.11359	1.2
573.09991	2.9
581.53241	1.1
591.11096	2.0
595.14600	11.1
605.12476	1.5
609.12750	1.3
713.14624	1.8
731.16205	5.6
834.27100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01620	0.8
65.03947	2.2
67.05507	62.2
69.03425	3.8
69.06722	1.8
69.07069	18.9
69.34061	0.9
69.75658	4.8
71.04989	2.8
73.02914	3.2
79.05498	27.1
79.98404	0.9
81.03407	2.8
81.07059	67.3
83.04990	1.4
83.08624	15.9
85.02910	14.1
85.06555	5.7
88.57789	0.9
91.03951	9.1
91.05489	13.8
93.07047	29.6
95.04961	1.2
95.08609	99.3
97.02890	7.2
97.06551	7.1
97.10160	4.2
99.04474	1.1
99.08101	3.5
105.04537	1.2
105.07031	11.3
107.08598	17.2
109.06503	1.0
109.10159	26.8
111.08092	2.5
117.07040	2.8
118.25773	0.9
119.08588	12.5
121.10149	13.9
123.08070	2.4
123.11703	3.5
125.09642	1.9
127.03905	3.6
131.08534	5.0
133.10136	9.3
135.11702	9.6
136.47551	0.9
137.09608	0.9
137.13251	3.3
145.04932	3.9
145.10114	4.0
147.11703	3.5
149.13258	5.7
151.14818	1.2
159.11713	3.4
160.11246	1.0
160.86621	0.9
161.13263	12.9
163.05984	4.9
163.14824	2.1
173.13303	3.6
177.16318	0.9
179.14322	6.7
187.14986	1.1
195.99664	0.9
197.15434	2.5
197.90865	1.3
215.16469	1.5
243.21127	2.6
261.22192	11.5
269.17468	2.6
271.19046	88.0
272.19177	1.1
317.24713	2.0
335.25815	79.5
336.25980	2.2
376.21060	1.8
415.23184	1.3
433.18469	1.5
439.34833	1.2
513.39233	2.2
531.40466	100.0
549.41888	5.3
612.83374	1.1
710.45758	1.5
728.47180	4.4
810.61218	1.0
890.50146	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	898.573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.3
67.05508	31.0
69.03432	1.5
69.07069	7.7
71.04996	14.9
71.08635	17.8
73.02921	2.0
73.06540	0.5
77.98688	0.4
79.05491	6.8
81.03420	1.0
81.07058	58.4
83.04971	2.5
83.08622	10.9
85.02908	8.4
85.06540	6.9
85.09653	0.5
85.10184	10.3
91.03963	4.9
91.05477	11.0
91.11015	0.4
91.32616	0.3
93.07047	7.1
93.29425	0.3
95.04982	0.6
95.08609	19.2
97.02888	4.7
97.06535	1.5
97.10178	5.1
98.20667	0.5
99.04459	0.7
99.08100	1.0
99.11715	0.8
105.07034	4.7
107.08596	5.1
109.06514	0.5
109.10159	10.9
111.08084	1.4
111.11683	0.6
113.13300	0.4
115.03899	0.5
117.07014	1.1
119.08595	0.7
121.10141	2.2
123.11708	12.7
125.09679	0.5
125.13329	0.7
127.03909	2.1
127.07457	0.5
131.08565	1.9
133.10133	10.7
135.11679	1.6
137.13263	1.1
145.04938	2.4
149.13264	2.7
151.11169	6.3
159.11708	2.5
163.06038	2.0
169.12257	1.3
177.12807	1.1
181.15184	0.4
183.13817	2.6
187.13312	4.9
195.13832	1.1
201.14922	0.6
227.16460	0.6
239.23763	1.7
253.18007	0.4
257.17487	1.2
257.24884	0.7
269.17502	4.4
285.16943	0.8
301.20111	13.7
311.94003	0.4
313.27368	14.0
445.24326	1.1
481.38889	63.9
482.39426	0.9
495.40228	1.9
507.40485	6.7
509.42227	0.6
539.43079	100.0
540.43195	1.8
683.46558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.568
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20462	2.1
65.03929	3.7
67.05507	98.5
69.03419	6.5
69.07071	35.9
70.06586	5.7
71.04993	14.8
71.52618	4.5
79.05496	64.3
80.05022	2.3
81.03413	19.7
81.06587	4.9
81.07060	100.0
82.06577	7.5
83.05000	13.2
83.08624	21.3
84.04499	30.3
85.02898	10.4
85.06541	7.1
91.05483	60.2
93.06487	4.6
93.07048	77.0
95.04961	12.8
95.08612	44.5
96.04498	4.1
97.02880	7.1
97.06524	25.8
97.10184	13.7
102.05522	2.7
103.05453	3.0
105.07034	48.4
107.04951	13.4
107.08599	51.7
109.02853	4.3
109.06503	8.6
109.10171	39.9
110.06020	2.4
111.04437	3.9
111.08073	8.7
112.34885	2.3
113.17332	2.3
115.05453	3.6
116.07069	6.6
117.07024	24.5
119.07797	4.0
119.08579	44.5
121.06499	6.1
121.10158	30.3
123.08066	7.2
123.11701	3.6
125.09633	13.6
127.03944	3.4
128.06180	2.7
129.06998	12.9
130.05043	5.5
131.08588	27.8
133.10146	28.9
135.08035	7.3
135.11700	20.1
137.09596	8.6
138.05510	3.9
139.11157	2.4
141.06975	4.8
142.04977	3.3
142.07787	3.6
143.08543	9.9
145.10138	26.5
147.08002	4.3
147.11699	15.3
149.09634	14.9
149.13263	15.9
151.11212	4.7
155.08540	4.6
156.06616	4.9
157.10130	10.2
159.08043	3.8
159.11723	20.1
161.13271	8.7
163.11142	11.2
168.13863	4.3
169.10130	9.8
171.11658	7.3
173.04462	3.9
173.11803	5.0
173.13223	8.9
175.11217	5.2
177.12714	3.8
179.14221	4.1
181.10085	5.2
182.43723	2.7
183.11694	6.4
185.09586	3.4
185.13304	6.6
187.14868	3.6
189.11229	4.6
195.13872	5.2
197.13326	4.3
199.14877	3.2
202.07130	11.1
209.13322	3.2
222.14903	2.5
227.12718	12.4
229.12376	2.4
229.14317	14.4
239.18066	2.7
247.20560	3.9
250.14256	3.4
255.15923	6.7
257.18951	9.4
267.15973	8.8
269.17502	26.6
275.20087	35.7
289.07477	2.7
293.21075	3.6
331.22409	4.2
335.25723	7.1
349.23749	32.5
367.25012	3.5
373.29126	2.6
395.20560	2.5
409.25735	5.0
413.21756	3.4
423.27441	29.6
431.27954	5.6
433.30594	3.6
445.29605	10.4
449.29102	16.3
451.31934	3.5
463.30545	22.8
503.33524	10.2
515.36981	4.5
525.35809	11.9
529.35010	7.7
541.35400	6.8
543.36823	72.0
561.37946	13.0
571.32819	3.6
575.38989	5.1
591.85449	2.9
593.32910	4.9
607.35107	11.9
620.41522	3.0
623.42725	9.5
641.43396	3.3
673.44568	2.9
687.40753	4.2
705.41028	4.1
708.43683	3.9
726.45483	16.9
760.59302	3.0
888.53003	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	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.7
67.05508	100.0
67.60358	1.1
69.03431	8.4
69.07071	30.4
71.01359	2.3
71.05009	7.1
71.52806	1.4
73.02918	3.5
77.03916	1.0
79.05495	52.1
81.03422	17.7
81.07058	67.3
83.01337	1.4
83.04981	15.5
83.08620	17.1
85.02901	12.0
85.06552	3.7
87.04467	3.5
91.03983	1.5
91.04906	1.6
91.05484	39.0
93.07049	46.4
95.04961	11.9
95.08610	30.3
97.02880	6.8
97.06528	14.9
97.10169	18.9
99.04488	1.8
99.08119	2.4
103.05457	1.6
105.04530	2.3
105.07037	30.8
107.04963	10.2
107.08601	32.2
109.02848	2.3
109.06526	7.2
109.10159	56.4
111.04453	1.8
111.08090	7.3
115.05446	1.5
116.02548	1.0
117.07018	14.3
119.04887	1.4
119.07800	1.8
119.08583	22.8
121.06540	3.8
121.10137	13.8
123.04498	1.6
123.08064	4.8
123.11723	2.9
123.26407	1.0
125.06023	1.5
125.09626	16.8
127.03938	3.7
127.11173	1.7
128.06224	1.7
129.05466	3.1
129.07005	5.9
130.07787	1.3
131.08560	15.8
133.06493	1.7
133.10139	19.7
133.11084	1.3
135.08084	4.3
135.11697	15.4
137.09639	5.3
139.11255	1.5
141.06989	1.1
143.08577	2.9
143.10692	1.5
145.05064	1.3
145.06444	1.2
145.10129	17.2
145.11172	1.8
147.08083	1.8
147.11703	10.1
149.09619	11.9
149.13269	8.0
151.11154	2.6
153.12747	3.1
155.08597	2.0
155.10678	4.1
157.08612	1.1
157.10172	3.0
159.11691	10.7
161.09657	2.4
161.13266	3.9
163.11194	11.8
165.09065	1.3
165.12764	2.1
169.10150	2.4
171.10294	1.2
171.11732	3.2
173.09587	2.3
173.11757	13.6
173.13280	4.5
175.11195	2.3
177.12775	4.1
179.14348	3.1
181.12218	3.4
183.11670	1.3
185.13278	1.4
187.14969	1.1
189.11252	4.1
189.12776	1.6
191.10660	1.8
193.12288	4.4
195.13847	5.7
197.13283	2.2
199.13348	7.0
209.11757	4.4
211.13297	2.3
227.12794	16.1
229.12103	2.1
229.14352	40.1
230.14626	1.1
233.15253	1.5
245.13792	1.2
251.16496	1.5
253.14297	1.1
255.15829	9.2
257.19070	6.0
267.15927	7.5
269.17493	23.0
275.20093	21.6
283.15442	4.6
285.17026	1.3
291.19412	1.7
293.17743	1.3
293.21005	2.6
301.16458	9.4
333.13062	1.5
335.25647	3.7
349.23776	22.1
349.28107	1.4
356.96445	1.2
367.24796	2.0
391.74213	1.2
399.23813	14.8
407.27872	1.5
409.25906	10.1
413.21762	1.6
423.27386	18.3
461.28604	1.2
477.27850	1.2
481.27780	1.1
491.33505	1.2
495.29562	3.7
503.33643	11.3
508.71500	1.1
519.32300	1.7
521.34650	1.9
529.38770	3.6
575.35358	3.3
579.35052	4.1
591.35883	1.4
593.36859	29.8
673.43121	10.7
691.43616	3.8
888.48676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05507	41.7
69.03421	1.5
69.07070	11.8
70.69350	0.4
70.69690	0.5
71.01337	0.5
71.04991	2.4
71.08640	0.4
73.02920	2.3
74.65002	0.3
77.03910	0.6
79.05495	27.1
81.03424	1.8
81.07059	48.0
81.68613	0.3
81.70750	0.3
83.04987	2.9
83.08618	8.2
85.02429	0.6
85.02908	6.6
85.06540	2.6
91.03958	4.5
91.04904	0.6
91.05482	14.4
93.07045	41.0
95.04964	3.1
95.08608	23.3
97.02882	3.7
97.06532	5.2
97.10149	1.6
99.04483	0.3
99.08099	1.6
105.04501	0.7
105.07035	8.5
107.04977	0.5
107.08598	22.5
108.05144	0.3
109.06523	1.3
109.10158	8.6
111.08086	3.8
111.11729	0.6
113.05975	0.4
113.09680	0.6
115.05476	0.5
117.07015	5.2
117.55606	0.3
119.06113	0.3
119.07799	0.5
119.08587	6.1
119.09378	0.6
121.06553	0.7
121.10148	15.1
123.08083	0.6
123.11703	3.6
125.09613	0.7
127.03889	1.5
129.07008	0.6
131.08574	7.6
133.07669	0.4
133.10143	7.1
135.08054	1.2
135.11691	8.9
137.09601	0.3
137.13249	0.5
139.11171	0.9
145.04938	1.8
145.10121	3.5
147.11693	3.3
149.09656	0.4
149.13258	17.9
151.11197	0.7
153.12694	0.5
157.10146	0.5
159.11696	7.2
161.13239	1.6
163.06029	1.6
163.14815	1.3
165.12750	0.7
171.11731	0.5
173.13260	2.2
175.14836	0.5
177.12752	3.2
177.16353	0.6
183.60414	0.3
187.14854	1.2
195.13812	5.6
199.14880	0.4
213.14874	0.6
229.14365	0.5
243.21078	2.0
259.20590	0.4
261.22159	7.7
267.15964	1.6
269.17477	63.8
270.17664	0.8
291.19540	0.4
317.24756	1.4
333.24133	0.6
335.25806	42.9
336.26144	0.6
437.34058	1.2
455.35159	1.2
475.34546	0.4
475.43542	0.3
511.37549	1.0
529.38898	100.0
530.39355	2.4
547.40070	2.5
645.39471	0.4
673.42847	0.4
888.50079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	4.0
67.05510	100.0
69.03427	9.0
69.07074	26.0
71.01360	2.0
71.05006	7.1
71.08623	1.3
71.52540	1.4
73.02956	2.7
77.03942	1.9
79.05499	49.6
81.03427	19.8
81.07062	74.1
82.07428	1.3
83.04996	16.0
83.08626	19.7
85.02903	12.5
85.06556	5.8
87.04475	2.9
91.04913	2.4
91.05489	40.5
93.07053	50.4
95.04968	10.7
95.08001	1.7
95.08611	29.8
95.09179	2.2
97.02877	6.3
97.06538	12.8
97.10186	12.9
99.04515	2.1
99.08102	2.4
105.04576	1.6
105.07047	27.6
107.04945	8.4
107.08595	27.7
109.02891	2.7
109.06515	6.1
109.10168	56.8
110.10480	2.0
111.04422	2.1
111.08076	8.4
113.09760	1.1
115.05463	1.4
116.04702	1.3
117.07025	13.4
119.08598	20.2
121.06539	6.0
121.10157	14.5
123.08058	3.9
123.11702	3.6
125.09643	15.5
127.03933	2.0
129.05482	3.5
129.07031	3.8
131.08580	16.2
133.06467	2.6
133.10143	18.6
135.08098	4.1
135.11713	15.7
137.09654	5.1
139.07458	1.3
139.11244	2.0
143.08609	2.1
143.10687	2.2
145.06497	2.8
145.10144	13.5
147.08093	3.3
147.11682	8.3
149.09657	10.0
149.13245	10.5
151.11179	2.9
153.12733	2.8
155.08545	1.9
155.10687	3.5
157.08669	1.8
157.10127	3.5
159.11717	9.8
161.09612	1.6
161.13300	2.4
163.11197	10.9
165.09059	1.5
165.12724	1.9
169.10114	1.8
171.11690	2.1
173.04489	3.5
173.09637	3.1
173.11766	12.8
173.13235	3.7
175.11179	2.8
177.12814	4.4
181.12274	4.0
183.11748	1.9
184.07359	6.3
185.13374	1.9
189.11229	1.9
191.10701	4.4
193.12225	5.2
195.13875	9.3
197.13277	2.0
199.13327	5.5
201.12727	1.4
208.13284	2.1
209.11729	4.2
211.13220	2.1
211.15060	1.4
227.12743	8.1
229.14365	44.4
229.16599	2.8
229.19389	2.1
239.18091	1.9
245.19020	1.7
245.88080	1.3
251.16412	2.3
253.14415	2.3
255.15936	11.6
257.13788	1.3
257.18991	3.9
267.15921	6.9
269.17499	37.4
275.20108	20.3
283.15396	4.1
285.17145	1.9
301.16492	9.9
335.25772	3.5
349.23764	15.4
367.24728	4.3
399.23831	17.4
409.25867	9.4
423.27487	31.2
461.28741	2.0
475.27713	1.5
477.28336	2.7
495.29550	5.5
503.33624	6.4
521.34460	2.6
529.38983	4.7
557.34412	1.9
579.35333	5.1
593.36804	36.7
673.42853	4.5
691.43597	4.5
888.49225	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	888.532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
67.05512	51.9
68.42992	0.6
69.03431	2.4
69.07077	13.4
70.57285	1.3
71.05001	2.7
71.08665	1.2
73.02930	2.8
77.03901	0.7
79.05502	31.0
81.03439	3.2
81.07066	59.4
82.07420	0.8
83.04988	3.1
83.08626	11.2
85.02911	11.2
85.06539	3.2
87.04464	0.8
91.03970	7.6
91.04908	0.9
91.05489	21.3
93.07053	43.3
95.04979	4.6
95.08617	27.5
95.09236	0.6
97.02904	5.6
97.06529	5.8
97.10188	3.7
97.63560	0.5
99.04490	0.7
99.08089	2.1
105.04538	1.2
105.06393	1.0
105.07040	12.1
107.04984	1.4
107.07879	1.1
107.08608	22.6
109.06519	1.5
109.10167	16.1
110.10497	1.0
111.08102	2.9
111.11705	0.6
115.03957	0.6
117.07028	8.2
119.08585	7.5
121.06501	2.1
121.10158	13.8
121.11028	0.7
123.08119	0.9
123.11730	5.3
125.09635	2.2
127.03894	2.4
131.08591	9.9
133.10144	12.4
135.08084	1.3
135.11707	10.9
137.09645	0.7
137.13332	1.2
145.04996	3.3
145.10130	4.9
147.11703	4.0
149.13269	11.4
151.11241	1.2
157.10086	0.7
159.11714	7.5
161.13234	2.9
163.06017	3.9
163.11218	1.0
163.14870	1.3
165.09085	0.7
171.11726	0.5
173.11803	1.5
173.13275	3.1
175.14824	0.8
177.12790	2.7
185.13237	0.6
187.14854	1.4
190.53023	0.6
195.13815	8.1
199.14830	0.7
213.14839	1.3
214.55389	0.5
229.14378	3.8
243.21152	2.0
246.25807	0.6
253.14389	2.6
253.18129	0.7
254.14763	1.1
261.22147	7.9
267.15994	1.7
269.17502	58.3
270.17786	0.6
273.18613	0.9
274.18842	0.6
275.20078	1.0
283.15622	0.6
291.19611	4.5
293.21240	2.6
301.16565	0.9
317.24768	2.0
335.25830	65.8
365.23230	2.7
367.24826	1.1
399.24081	0.8
401.25146	1.3
437.34119	2.7
455.35611	1.2
511.37863	2.2
519.33167	2.2
521.34668	0.6
529.38947	100.0
530.39185	2.4
547.39905	3.1
673.43573	1.1
691.43634	1.9
741.55212	0.6
769.19318	0.8
888.49951	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	886.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.9
67.05508	50.4
69.03428	8.9
69.07072	28.9
70.06599	5.2
70.34569	3.1
71.04423	1.0
71.05013	7.9
79.05497	37.3
81.03422	10.2
81.07060	49.0
83.04984	9.4
83.08624	14.9
85.02896	1.8
85.06538	3.0
86.09678	1.1
87.81049	0.9
91.05483	33.7
93.07049	39.9
95.04980	9.8
95.08604	20.2
97.02892	9.8
97.06531	11.0
97.10168	11.7
99.04515	1.0
99.08091	1.4
105.04568	1.1
105.07035	26.8
107.04966	10.6
107.08599	26.0
109.02875	2.1
109.06538	4.8
109.10159	19.8
111.04468	1.8
111.08103	5.4
113.09661	0.9
115.05446	2.1
116.07096	8.4
117.07021	11.3
119.04913	2.5
119.08590	18.1
121.06525	4.2
121.10147	12.5
123.04430	1.2
123.08103	4.9
123.11708	3.5
125.00005	1.2
125.06052	1.0
125.09640	9.4
127.03885	1.6
128.06218	1.7
129.07027	5.4
130.07654	1.3
131.04924	1.3
131.08571	14.9
133.06483	3.8
133.10130	18.1
135.08075	5.8
135.11693	7.2
137.09628	3.8
139.11176	1.6
141.06979	2.3
142.07797	1.2
143.08580	4.9
145.06506	1.5
145.10112	12.4
147.08090	4.8
147.11685	7.1
149.09639	6.8
149.13258	6.1
151.11201	5.4
153.09189	1.0
155.08524	2.0
157.10147	5.4
159.08069	1.9
159.11678	8.4
161.09624	2.2
161.13281	2.3
162.10518	1.1
163.11197	4.7
165.12773	1.3
169.10204	2.4
171.10297	1.5
171.11714	3.7
173.11879	1.2
173.13295	2.7
175.11235	3.2
177.03372	0.9
177.12799	3.6
181.10191	1.7
183.11674	2.0
184.07329	3.7
185.13312	2.9
187.11215	0.9
189.11217	4.1
191.10599	1.1
193.12265	1.7
195.13814	2.2
205.12346	1.4
209.11710	1.1
223.13274	13.8
227.12704	9.8
229.14363	3.8
229.19569	1.4
245.19029	1.7
249.14900	2.0
251.16420	1.9
253.14381	6.7
257.18985	4.1
263.20251	1.2
267.15952	2.8
269.17499	2.3
273.18533	12.5
275.20044	11.7
283.19043	1.3
286.18359	1.4
289.21722	1.2
291.19556	60.8
292.20197	1.2
293.17676	1.1
293.20953	1.1
347.22406	3.1
349.23764	10.5
365.23230	28.2
383.93423	1.0
413.21661	4.3
447.27377	1.7
449.29919	1.4
461.29034	2.0
479.29980	1.3
519.33240	9.9
541.35266	10.7
543.36725	1.5
544.37732	1.1
557.34845	2.7
559.36328	100.0
560.36987	2.0
573.37909	1.1
583.36322	2.1
621.41608	2.2
639.42609	24.8
671.45282	7.8
685.38507	1.4
703.40692	12.2
886.53241	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
67.05510	46.1
69.03152	0.5
69.03435	8.1
69.07072	20.5
69.86774	1.4
69.87186	1.7
71.04998	3.6
73.02915	1.3
77.26271	0.5
79.05495	21.2
80.54783	0.5
81.03423	7.9
81.07063	26.7
83.04989	5.8
83.08157	0.8
83.08626	11.4
84.08134	1.6
85.02902	4.9
85.06541	2.7
87.04462	2.0
91.05487	17.2
93.07048	17.5
95.01358	1.4
95.04976	8.8
95.08611	12.5
97.02903	8.7
97.06503	3.3
97.10172	14.9
98.20761	0.7
99.08105	0.9
105.07038	10.6
107.04961	7.3
107.08599	14.0
109.06528	2.3
109.10163	34.7
111.04462	1.4
111.08076	2.4
115.05482	0.7
117.07021	5.4
119.04944	1.1
119.08590	12.3
119.09378	1.0
121.06530	3.2
121.10162	5.7
123.04462	0.8
123.08064	2.6
123.11726	1.0
125.09626	11.6
129.05476	2.1
129.06985	3.5
130.07773	1.3
130.08643	2.7
131.08548	6.4
133.06499	2.6
133.10123	5.6
134.07341	0.9
135.08060	2.9
135.11714	3.6
137.09630	3.3
142.07748	1.0
143.08563	3.1
143.10684	1.4
145.06482	1.2
145.10123	5.6
147.08029	5.2
147.11694	2.7
149.09639	2.1
149.13255	1.6
151.11176	1.7
153.09116	1.2
153.12718	1.4
155.08528	0.7
155.10687	1.7
157.10126	2.3
159.08069	0.7
159.11729	2.4
161.09633	2.5
162.10437	1.0
163.11191	4.6
165.09164	1.3
169.12251	0.7
171.11678	1.1
173.09570	1.0
173.11754	8.1
175.11201	2.9
177.12738	1.6
181.12251	1.3
187.11169	0.8
189.11203	4.1
189.12682	0.7
191.10651	1.7
191.60609	0.7
193.12210	2.9
195.13828	1.2
199.11502	1.0
199.13297	5.3
205.12234	1.6
209.11789	3.2
211.13344	1.7
217.14233	0.7
221.11665	1.0
223.13303	14.6
227.12772	7.7
229.14365	28.7
245.19028	2.1
249.14662	3.2
265.14261	1.3
267.15921	3.5
272.20044	1.1
273.18509	13.2
273.21271	1.2
283.15497	3.6
291.19559	100.0
292.19867	0.9
301.16452	7.4
309.20422	1.1
335.25775	0.9
347.22067	2.3
365.23254	35.0
366.23541	0.6
372.25262	1.7
385.46725	0.7
386.47519	0.7
390.26624	1.1
394.38651	0.6
399.23816	11.2
402.65521	0.6
453.25000	0.6
473.08582	0.7
489.32288	3.1
507.33173	2.3
519.33203	31.6
520.32849	0.8
542.16248	0.6
547.36426	0.8
557.34918	1.4
562.41418	1.0
573.34052	2.0
591.35431	6.2
609.36182	1.9
643.38379	5.8
679.40442	3.8
689.42548	15.9
697.41034	0.7
724.51440	1.9
776.26428	0.7
801.41986	0.6
886.56091	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	886.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41643	0.8
67.05508	58.0
68.67222	1.0
69.03426	3.1
69.07075	7.4
69.57564	5.2
69.88039	0.8
71.04996	50.4
73.02900	2.6
73.06562	1.1
74.79630	0.7
79.05068	1.5
79.05499	19.1
81.03411	3.4
81.07060	100.0
83.04980	8.1
83.08626	9.4
84.04508	1.0
85.02914	9.8
85.06539	11.4
91.03962	7.2
91.05484	36.0
93.07046	26.8
95.04964	3.1
95.08614	12.9
97.02894	5.9
97.06544	7.2
97.10170	1.7
99.04473	2.0
99.08109	1.9
103.05535	1.1
105.06400	1.5
105.07037	16.7
107.04979	1.2
107.08607	19.9
109.02857	1.2
109.06519	2.8
109.10159	9.5
111.08096	4.3
113.09647	0.8
117.07047	4.6
118.74819	0.8
119.08588	2.0
119.87779	0.7
120.05712	0.8
121.10165	8.2
123.08079	1.7
123.11712	21.7
125.05951	1.0
125.09686	1.2
127.03928	2.5
131.08601	6.4
133.10143	32.5
135.08047	1.3
135.11679	6.9
139.11172	1.3
145.04929	2.4
149.13274	13.2
151.11197	17.4
159.11681	9.4
163.06009	2.9
169.12247	2.6
173.04561	0.8
177.12767	4.1
183.13820	12.5
187.13322	6.3
195.13776	5.9
213.14813	1.4
225.14883	2.5
233.32756	0.9
243.15901	1.8
257.17551	2.9
267.15942	1.4
269.17661	4.3
283.18808	0.9
285.16800	1.2
301.20087	15.3
343.80801	0.8
347.23254	0.8
349.82101	0.9
419.27960	1.4
425.28961	8.1
435.30801	1.3
437.28949	4.6
439.30725	0.9
445.29593	1.5
451.30591	12.3
463.30545	12.3
469.31674	67.2
470.31900	1.2
483.33188	7.3
495.33200	96.0
496.33716	1.9
527.35828	89.0
528.36053	1.7
581.32813	1.2
589.33923	0.9
607.34387	4.6
613.35547	1.3
639.37305	10.9
671.39825	2.2
724.42902	1.0
886.44562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.3
67.05509	73.8
69.03440	10.3
69.06729	2.0
69.07076	21.0
71.04996	22.9
71.52976	3.2
73.02908	1.8
73.77129	1.5
79.05495	38.5
81.02988	2.0
81.03422	20.1
81.07059	100.0
83.04985	14.8
83.08619	12.5
85.02892	4.8
85.06561	7.8
87.04475	2.4
91.05481	34.1
93.06492	2.9
93.07049	42.9
95.04969	6.9
95.08617	33.8
97.02903	8.8
97.06528	5.2
97.10149	3.8
99.04440	3.0
105.07043	21.5
107.05006	1.6
107.08598	27.0
109.02859	3.1
109.06524	2.6
109.10172	18.8
111.04436	2.8
111.08070	3.4
117.07017	7.3
119.08593	13.0
121.10153	18.6
123.08047	1.7
123.11726	11.6
127.03910	5.3
129.05475	5.9
129.06952	2.2
131.08607	11.0
133.10133	20.7
135.11688	11.4
139.11166	2.2
143.08588	2.1
145.10130	8.3
147.11705	8.0
149.13277	8.0
151.11153	7.2
157.10118	3.8
159.11716	11.6
161.13275	3.3
165.12814	1.5
171.11671	2.8
173.04477	10.0
173.11931	1.5
173.13286	4.6
177.12749	3.4
183.13792	2.5
187.13336	5.8
187.14827	1.7
195.13786	3.2
201.14818	2.7
225.14676	1.7
227.16405	3.2
243.10309	1.7
243.15814	3.0
253.17984	2.2
261.22266	1.8
269.17490	8.8
301.20090	2.0
313.27625	1.5
335.25827	21.7
339.18054	3.4
372.25345	1.8
387.25311	1.7
393.83130	1.5
413.21518	3.6
437.34369	3.1
445.24283	12.3
465.35471	4.5
485.36142	4.1
503.37354	50.7
504.37247	1.9
511.37555	2.0
517.38940	3.5
529.38867	31.8
561.41534	77.2
562.41687	2.2
669.42175	1.8
673.43414	7.7
678.38647	3.9
705.45520	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	885.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.2
67.05510	68.5
69.03434	9.1
69.07070	15.3
70.96460	2.4
71.04996	22.4
73.89855	1.0
73.99979	1.0
79.05500	41.5
81.03423	20.0
81.07061	100.0
81.09762	1.0
83.04982	12.3
83.08622	11.7
85.02934	5.1
85.06544	8.8
91.05489	31.2
93.07050	48.1
93.69290	1.0
95.04969	6.0
95.08612	34.4
97.02894	8.0
97.06544	6.3
97.10172	4.2
99.04453	3.0
99.08100	2.3
103.05398	1.0
105.07038	20.1
106.63400	1.0
107.04965	1.5
107.08608	26.0
109.02882	5.0
109.06507	3.0
109.09489	1.2
109.10169	16.4
111.04421	2.4
111.08118	2.4
111.11776	1.1
117.07021	8.4
119.08584	12.4
121.06483	1.8
121.10151	20.5
123.08081	2.3
123.11729	10.6
125.09637	1.9
127.03928	5.5
129.05498	3.5
129.07004	2.3
131.08568	10.7
133.10126	22.0
135.04413	1.2
135.11720	10.9
143.08508	2.5
145.06483	1.2
145.10109	7.2
147.11739	7.7
149.09616	2.1
149.13245	8.7
151.10150	1.1
151.11192	7.5
155.08664	1.3
157.10129	1.5
159.11722	8.5
161.13258	3.6
163.14740	1.1
167.08504	1.2
169.10043	1.4
169.12262	1.9
171.11626	2.5
173.04465	9.0
173.13277	3.4
175.11046	1.4
177.12752	4.0
179.43608	1.1
183.13814	1.9
187.13287	7.3
187.14751	1.6
193.12306	1.7
195.13885	2.8
199.14931	1.5
201.14888	2.8
226.33104	1.0
227.16342	1.3
243.15927	4.0
257.17560	1.8
261.22076	3.6
269.17529	6.6
285.22104	1.3
287.14825	1.5
301.20139	1.6
313.27322	2.9
314.27637	1.8
335.25793	38.2
339.18027	2.5
369.24158	1.4
411.32501	1.6
413.21616	3.8
429.38354	1.1
445.24280	7.6
461.29092	1.2
465.35806	2.2
485.36255	2.5
503.37329	56.1
504.37668	1.5
517.38867	4.3
529.31641	2.0
529.38916	25.3
561.41553	84.7
562.41730	2.0
637.40759	1.4
647.41431	1.9
660.37653	1.4
669.43073	1.5
673.43005	5.4
678.39069	3.7
691.44354	1.8
705.45691	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	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75312	3.1
65.03938	6.1
67.05516	100.0
69.03425	14.7
69.07079	27.0
69.81855	6.8
69.82269	10.7
69.90635	2.8
71.05000	7.3
73.02931	5.2
79.05073	4.9
79.05504	72.3
81.03429	38.5
81.07069	92.5
81.76246	3.5
83.04982	13.2
83.08635	20.1
85.02916	14.3
91.05492	77.0
91.06027	6.1
92.12604	2.7
93.07058	68.3
95.01335	24.0
95.04996	24.4
95.08622	57.8
97.02908	15.9
97.06550	8.8
97.10185	8.5
99.04471	3.9
103.05475	7.0
105.07052	53.1
107.04958	22.7
107.08615	48.3
109.02881	12.2
109.06541	9.1
109.10163	35.2
110.02415	4.3
111.04468	7.7
111.08072	5.1
113.02327	3.3
115.05466	6.2
117.07035	29.0
119.04982	5.5
119.08601	43.3
121.02890	3.5
121.06523	14.9
121.10155	28.9
123.04429	11.8
123.08089	7.9
123.11720	11.3
125.02393	5.5
125.09690	4.8
127.03946	8.8
128.06229	3.5
129.07042	22.5
131.04929	10.5
131.08585	35.0
133.06490	11.6
133.10158	34.7
135.04463	9.9
135.08040	11.8
135.11722	18.0
137.06001	9.9
137.09631	8.1
139.03941	6.3
141.01833	3.4
141.07002	6.7
142.07782	4.0
143.08588	20.4
145.06494	12.2
145.10132	25.6
147.04430	15.3
147.08069	9.3
147.11687	25.1
149.06010	10.1
149.09615	7.5
149.13293	10.6
151.03941	12.6
155.08580	10.8
157.06459	8.3
157.10162	18.6
159.04460	5.0
159.08076	7.0
159.11728	23.5
160.11235	4.8
161.06012	8.1
161.09665	9.8
161.13277	10.4
163.03938	10.3
163.07542	3.7
163.11208	5.5
165.05536	3.0
165.07004	5.1
165.12819	4.2
167.08609	4.3
169.05029	5.0
169.10176	9.1
171.08087	5.6
171.11746	16.7
173.05948	5.0
173.09567	7.1
173.13306	13.5
175.03946	11.8
175.11169	18.4
177.03978	3.1
177.05511	5.9
177.12744	6.9
178.12292	6.7
179.03407	4.9
181.10153	7.3
182.07300	3.2
183.06537	3.6
183.11699	8.0
185.09615	4.0
185.13304	3.7
187.11220	8.2
187.14946	4.0
188.10818	7.9
189.05548	4.9
189.11166	5.9
189.12793	5.4
193.10233	4.1
193.12288	9.6
195.11736	5.4
197.09599	5.3
197.13263	8.5
199.11237	5.7
201.12718	4.8
205.12331	7.5
206.11830	8.8
207.11911	5.7
211.11290	3.1
213.12737	8.3
215.10806	5.8
217.12199	4.6
219.13846	4.5
223.14967	3.7
224.12956	5.2
225.09146	4.2
227.12698	3.7
233.11635	5.4
243.10022	4.0
243.21074	3.4
251.10489	3.5
259.13321	7.4
259.20526	3.5
261.22223	14.6
267.15945	10.1
269.11670	4.2
271.13245	3.4
275.20358	3.6
280.15488	5.3
285.17020	3.3
287.12854	15.3
289.14368	11.4
297.13397	3.6
303.23413	4.9
305.13846	11.1
313.21570	4.9
315.12201	14.9
323.14951	5.4
333.13416	27.3
335.25931	54.0
339.23306	3.7
343.51770	3.0
351.14413	47.5
369.15433	8.5
369.24258	9.3
387.25302	3.6
405.26431	5.5
407.17014	23.9
425.18170	40.5
435.32578	3.4
443.19202	35.8
453.33273	4.3
461.29016	6.5
479.29855	9.0
527.37439	15.2
541.36877	9.1
545.38062	9.5
551.20715	2.9
575.33173	4.2
593.34546	3.8
611.35596	5.1
625.37018	3.3
629.36328	4.7
649.37726	5.2
667.38892	28.0
685.39441	45.7
703.40637	59.0
721.41840	16.3
811.41913	11.5
829.43427	10.4
847.44598	14.0
865.45166	4.7
883.41486	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	883.208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.01862	0.7
68.73833	0.6
68.99789	12.5
69.85294	1.5
69.85682	1.2
71.99673	0.5
74.19067	0.6
79.05467	0.6
81.03419	4.3
83.04961	0.9
85.02912	1.4
91.05480	1.0
93.03396	2.1
95.04977	1.8
97.02914	0.7
97.75629	0.5
99.04453	1.6
103.05452	1.0
105.03396	1.3
106.30403	0.6
107.04940	4.0
109.02887	5.0
111.00813	13.4
111.04437	7.5
115.05460	0.8
117.03394	0.8
117.07011	1.0
119.04945	2.1
121.02856	2.0
123.04433	61.0
127.03921	100.0
128.87247	0.6
131.04941	2.4
133.02844	1.3
135.04425	35.0
137.02376	3.0
137.05956	1.5
139.03906	69.9
141.06975	1.5
143.04955	1.4
145.02872	1.2
145.06459	1.4
147.04411	10.3
149.02357	8.7
149.05962	1.0
151.03908	34.6
153.01820	1.2
153.05496	1.1
155.03413	1.6
155.04913	3.4
157.02789	0.7
157.06465	1.1
159.04396	3.3
161.02347	1.1
161.05989	4.5
163.03912	35.3
165.01834	1.0
165.05478	6.7
167.03441	3.6
169.04961	5.0
169.06396	1.5
171.04404	0.9
173.02399	0.7
173.05995	5.0
175.03925	9.1
177.01825	0.8
177.05484	10.5
179.03400	45.6
181.04996	1.5
183.04424	2.7
185.06017	1.7
187.03864	4.9
187.05032	0.5
189.05469	3.8
191.03401	12.0
191.07056	1.0
193.05063	3.0
197.05992	3.4
199.03882	2.0
201.05472	11.2
203.03400	23.8
203.07045	2.3
205.04932	2.1
207.06453	1.2
211.03915	1.7
213.05434	4.6
215.03441	2.4
215.07031	1.7
217.04979	5.5
219.02791	1.0
219.06523	2.1
221.04425	1.3
223.02316	2.4
225.05486	2.8
227.03355	1.8
229.04968	14.9
231.06462	4.3
233.04443	7.4
241.04987	3.7
243.06612	3.5
245.04460	85.2
246.04745	1.2
247.06021	80.4
248.06500	0.8
251.05402	1.2
253.04994	3.0
255.02716	0.9
255.06554	0.8
257.04437	20.0
258.05051	1.3
259.06012	5.6
261.07547	2.0
263.05472	10.1
265.04974	0.7
269.04489	6.1
271.06021	20.0
273.07532	1.3
275.05508	34.2
281.04388	2.2
283.06039	2.1
285.03848	1.1
287.05496	53.0
289.07065	16.7
291.08627	25.9
293.04456	1.2
295.06061	0.9
297.03867	2.0
299.05499	20.3
301.07019	2.0
303.09079	0.9
305.03119	1.2
305.06546	21.0
307.05960	1.0
309.03824	1.7
311.05484	2.6
317.06592	14.1
321.04059	1.1
321.07486	1.8
323.05423	1.8
327.04996	0.9
329.06607	1.6
331.05722	1.0
339.04944	1.4
344.95477	0.7
347.07495	2.6
349.07019	2.2
351.05023	3.0
353.06458	0.7
361.06851	1.0
377.06406	2.6
379.08054	1.6
391.08093	1.7
393.06042	4.3
395.07690	2.4
397.09189	13.2
399.06967	1.2
401.06561	1.0
405.06073	8.5
407.07632	5.2
409.09140	6.2
415.10510	0.9
417.05731	0.9
419.07513	2.1
423.07114	22.1
425.08685	18.1
427.10315	8.3
431.07394	1.1
435.06760	3.2
437.08478	2.8
439.10123	1.1
441.08130	8.4
443.09772	14.8
449.08475	2.6
451.10446	3.3
453.08127	8.1
455.09689	1.3
465.08139	1.6
467.09814	1.7
469.11115	1.5
527.09503	1.5
533.10266	3.1
543.08630	1.1
545.11133	3.6
551.11505	1.2
557.10583	3.3
561.10095	1.6
575.11359	2.6
577.12946	0.8
589.13031	1.2
593.12396	1.2
595.14453	11.7
697.14923	1.7
713.14856	0.8
715.15863	2.4
731.15863	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	883.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.4
67.01876	0.8
67.05526	0.6
68.99433	1.3
68.99789	11.7
69.03421	1.2
69.58658	0.5
71.52100	1.0
77.03942	0.6
79.05495	0.7
81.03429	3.5
83.05007	0.8
84.90627	0.6
85.02901	3.7
89.03891	1.3
90.81358	0.6
91.05490	1.2
93.03425	1.4
95.04969	1.9
97.02915	1.3
99.04452	0.9
103.05466	0.8
105.03407	0.9
107.04951	2.8
109.02877	5.4
111.00803	12.1
111.04445	2.6
115.05476	0.7
117.03379	1.2
119.04929	1.8
119.63403	0.6
121.02867	2.1
123.04433	36.7
127.03917	100.0
131.04941	1.7
133.02858	2.2
135.04419	32.0
137.02345	2.4
137.06012	0.8
139.03903	66.7
141.01852	0.7
141.06927	0.5
143.04930	0.8
145.02834	1.1
145.04977	1.5
145.06586	0.7
147.03241	0.8
147.04408	11.8
149.02354	5.4
149.05951	1.2
150.17711	0.5
151.03915	26.1
152.66718	0.6
153.05475	1.1
153.06973	0.6
155.03421	4.3
157.06538	0.8
159.04411	3.1
159.47247	0.7
161.02370	0.8
161.05972	3.7
162.03145	0.7
163.03908	39.2
165.01865	0.8
165.05496	5.1
167.03421	4.5
167.04688	0.8
169.04945	1.7
169.06369	0.8
171.04391	1.5
173.05974	2.9
175.03906	12.9
177.05464	9.3
177.06911	0.9
179.03391	31.5
181.04919	1.7
181.06427	0.9
183.04366	1.3
185.06029	2.8
187.03886	5.0
189.05513	5.4
190.71419	0.7
191.03392	10.5
193.04988	3.0
197.05954	2.9
199.03809	3.4
201.05493	5.9
203.03392	24.1
203.07085	1.5
205.04990	2.0
207.06485	0.7
211.03822	0.9
213.05479	5.2
215.03343	2.9
215.06998	1.4
217.04938	5.6
219.06497	1.8
221.04382	1.3
223.02278	1.4
224.33311	0.7
225.05490	1.4
227.03339	1.7
227.07057	0.8
229.04967	8.2
231.02901	0.9
231.06458	1.4
233.04387	5.0
235.02321	0.7
237.05466	1.8
239.06905	0.6
241.04926	5.0
243.02921	0.8
243.06517	2.9
245.04451	83.0
246.04779	0.8
247.06023	18.1
251.05490	0.6
252.98053	1.0
253.04926	1.7
255.02673	0.7
255.06578	2.7
257.04465	16.3
258.05276	1.2
259.06006	9.4
260.98581	0.6
263.05490	25.8
265.04877	1.4
269.04425	5.6
271.06012	13.1
273.07611	1.7
274.04721	4.1
275.05481	21.8
277.07199	1.6
279.06427	1.2
281.04407	1.7
283.06021	11.3
285.03903	2.0
285.07416	0.8
286.04767	0.8
287.05493	46.1
289.07065	21.1
291.05698	1.1
291.08646	13.8
293.04361	0.8
295.05957	2.4
297.03995	1.9
297.07416	1.1
299.05533	7.3
301.07083	8.9
303.05005	2.1
303.08606	2.5
305.06482	9.4
307.05798	0.8
309.03848	2.3
309.07175	0.8
311.05548	1.6
313.07037	1.7
317.06903	0.9
319.05966	0.9
321.07547	0.7
323.05441	2.6
327.04984	1.2
329.06589	1.2
331.08179	3.0
351.04947	2.4
361.07040	2.6
365.06284	1.1
377.06509	1.3
379.08032	5.2
383.07440	1.9
389.06491	2.4
391.08038	1.4
393.05890	4.7
395.07532	1.0
397.02090	1.7
397.09280	0.8
405.05890	3.7
407.07623	30.3
409.09177	19.5
411.10629	2.3
412.07993	0.7
413.08643	7.2
417.05975	0.9
419.07712	4.2
421.09027	2.7
423.07083	0.8
425.08661	16.8
425.14340	0.8
427.10260	15.9
431.07535	1.3
433.09100	1.0
437.08649	4.9
439.10156	2.1
443.09354	0.8
447.07529	0.7
449.08624	5.7
451.09933	2.6
453.12039	0.7
467.09860	2.9
527.09491	1.7
533.10730	2.9
543.09186	1.2
545.10791	4.5
551.11670	1.7
557.10779	3.6
561.10443	1.3
575.11383	1.6
579.15070	5.3
587.11786	1.6
593.12769	2.3
679.13898	0.8
695.13696	1.2
697.14899	1.6
713.14587	2.5
715.16534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05180	0.7
67.05511	9.8
69.03425	2.2
69.07075	4.9
71.04990	1.8
71.08637	11.2
71.42706	0.5
72.49982	0.5
73.02918	1.3
74.39670	0.5
79.05499	6.1
80.84797	0.5
81.03423	25.5
81.07062	13.3
83.04990	4.6
83.08624	14.2
84.80154	0.5
85.02911	13.0
85.06551	1.2
85.10191	6.3
87.04469	0.7
89.06028	0.7
91.03961	3.1
91.04455	0.5
91.05485	7.5
93.07047	4.2
95.04971	9.6
95.08611	11.5
97.02899	4.3
97.06528	1.4
97.10173	3.6
98.03850	0.4
98.21571	0.7
99.04468	0.7
105.07037	5.7
107.04961	1.8
107.08590	2.9
109.06516	1.2
109.10159	5.4
111.04460	0.6
111.08078	5.4
113.05997	0.8
114.28076	0.5
114.65241	0.5
115.05470	0.5
119.08593	6.1
121.06520	0.9
121.10149	3.4
123.08074	1.0
123.11726	2.1
125.09666	0.7
127.03905	1.0
129.07016	3.3
131.08592	3.6
133.06502	1.1
133.10147	3.5
135.11746	0.9
137.09666	0.5
137.13260	0.8
142.07770	0.6
145.04938	0.9
147.08061	1.1
147.11682	5.6
149.09628	2.6
149.11679	0.5
157.10138	5.3
163.06120	1.3
163.11250	1.7
165.12843	0.6
175.11185	6.4
184.07338	0.6
193.12259	20.5
211.13301	26.3
227.12740	0.9
228.13017	0.5
239.23830	1.2
257.24707	1.1
267.15936	10.0
283.15424	1.2
284.15692	0.9
285.16983	22.7
313.27377	31.2
314.27869	1.3
427.20102	0.7
428.20142	1.2
429.20963	1.8
505.38947	7.8
521.38885	0.5
522.38831	0.7
523.39966	100.0
524.40332	2.1
667.43896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.4
64.65227	0.4
64.91179	0.4
65.03913	0.6
67.05505	12.5
69.03410	1.3
69.07076	6.9
69.48259	3.3
71.04963	1.1
71.08635	15.7
73.02884	1.7
79.05495	13.3
81.03392	2.2
81.07058	16.9
83.04993	2.2
83.05398	0.4
83.08168	0.6
83.08624	12.3
85.02908	2.8
85.06503	0.8
85.10188	9.7
89.06002	1.3
91.03936	2.2
91.05487	3.4
93.04101	0.6
93.07044	20.4
95.04979	3.1
95.08611	32.9
97.02906	4.1
97.06496	1.8
97.10165	3.0
99.04453	2.9
99.11717	0.7
103.07538	0.7
105.07034	4.1
107.04959	6.0
107.08599	16.5
109.06521	1.1
109.10150	6.7
111.04412	1.5
111.08049	1.2
117.07001	4.2
118.30550	0.4
119.07797	0.6
119.08579	6.5
121.06519	4.2
121.09329	0.7
121.10144	8.2
123.11681	2.2
125.05972	2.0
127.03896	0.6
129.07001	0.7
130.07745	0.6
131.08546	0.6
133.10100	1.7
135.08035	1.6
135.11696	36.0
137.13235	0.7
139.07510	1.3
143.08604	0.7
143.74768	0.5
145.10132	20.0
146.69109	0.4
149.13132	0.7
156.87553	0.5
163.11186	47.8
164.11497	0.7
173.09602	0.6
181.12242	8.8
207.13779	0.7
209.11769	0.9
227.12791	52.1
239.23708	1.7
243.68057	0.5
257.24673	1.6
283.15405	88.1
284.15802	1.0
313.27374	85.4
314.27768	1.4
427.19727	3.0
484.03592	0.5
521.38409	100.0
522.38696	3.3
683.43463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.9
63.92378	2.2
65.03929	6.5
67.05508	95.4
69.03416	7.3
69.06727	3.5
69.07069	43.3
70.06586	2.5
71.04986	6.4
73.95631	2.1
79.05499	61.7
81.03413	15.7
81.07058	100.0
83.04991	13.0
83.08630	18.8
85.02897	4.9
85.06547	8.1
91.05489	56.9
93.07047	70.9
95.04977	11.4
95.08071	2.9
95.08614	40.1
97.02879	4.6
97.06537	21.0
97.10189	17.3
105.07033	43.9
107.04956	14.7
107.08601	53.6
109.06508	9.6
109.10161	41.5
111.08063	5.9
117.07017	22.0
117.17181	2.1
119.08585	40.3
121.06495	7.3
121.10152	25.4
123.08063	4.2
123.11685	7.5
124.39102	2.0
125.09635	14.2
127.03909	3.8
129.07014	10.2
131.04849	2.2
131.08571	29.2
133.06442	3.0
133.10153	27.6
135.08037	6.6
135.11699	15.4
137.09644	5.0
137.13197	2.0
143.08519	6.7
145.06406	2.2
145.10132	19.3
147.08040	5.1
147.11636	16.8
149.09647	17.3
149.13293	13.8
151.11153	2.6
155.08559	4.1
155.10698	3.1
157.10112	10.4
159.11714	18.9
161.09595	2.4
161.13258	7.4
163.11150	9.3
165.12791	2.9
167.08554	2.2
169.10127	4.9
171.11665	5.9
173.04375	2.7
173.09596	4.0
173.11720	5.2
173.13264	9.0
175.11082	3.8
177.12724	4.7
179.14276	5.6
183.11646	5.0
185.13258	4.5
187.11212	2.5
187.14780	3.0
189.11176	8.0
189.12752	2.4
195.11967	1.9
195.13817	6.6
197.13304	3.5
209.13266	3.3
217.15823	2.2
221.13286	2.3
227.12808	22.0
229.14282	17.3
229.19417	4.2
239.18045	3.8
247.20482	4.0
250.81337	1.9
251.16293	2.5
255.15886	8.5
257.19073	9.8
269.17459	35.0
275.20074	60.3
293.21173	5.1
331.22504	3.8
349.23758	57.3
367.24756	13.7
409.25644	7.2
413.21930	2.8
413.56149	2.2
423.27402	19.8
433.21411	2.2
439.27170	2.3
445.29553	2.4
449.29178	12.6
463.30719	28.3
469.32385	2.6
485.32291	2.7
503.33804	21.6
521.34344	5.9
525.35791	8.5
529.35107	8.1
543.36823	66.4
547.35876	3.4
561.37927	20.3
607.34631	4.0
623.43158	17.1
641.43909	15.3
659.44586	4.3
687.41211	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	2.1
67.05508	65.3
69.03436	10.6
69.07073	40.0
71.52605	3.5
79.05496	43.5
81.03426	12.3
81.06595	3.4
81.07063	62.4
83.04988	5.7
83.08626	19.1
85.02892	3.6
85.06528	4.3
91.03949	2.9
91.05481	35.2
93.07052	44.3
95.04977	12.0
95.08611	26.4
97.02889	8.3
97.06533	12.2
97.10175	19.2
99.08065	3.5
105.04533	2.4
105.07030	34.5
107.04978	11.5
107.08595	31.7
109.06502	8.7
109.09579	2.2
109.10173	24.6
111.08056	7.1
112.61575	1.9
115.05515	2.4
117.06323	2.4
117.07017	17.5
119.04918	3.1
119.08593	26.4
121.06500	8.5
121.10175	14.8
123.08058	4.8
123.11734	4.1
124.99993	2.6
125.09644	15.6
129.06998	7.3
131.08559	18.1
133.06506	4.2
133.10129	18.5
135.08044	8.3
135.11697	9.0
137.09583	5.1
143.08604	5.7
145.10104	13.2
147.08043	9.5
147.11691	11.9
149.09618	9.3
149.13312	10.6
153.09128	2.2
157.10139	6.0
159.11670	11.4
161.09660	6.1
163.11145	6.0
169.10107	2.5
171.11678	5.2
173.13257	4.5
175.11189	4.3
177.12700	3.4
184.07352	5.1
189.11227	8.4
193.12234	3.4
197.13245	2.6
223.13329	19.2
227.12822	13.6
229.14409	7.5
249.14804	3.7
255.15669	3.3
257.18936	5.8
269.17511	25.0
273.18555	18.0
275.20035	28.1
291.19565	100.0
293.21060	4.1
329.21005	2.7
347.22073	7.3
349.23740	25.6
365.23254	60.5
367.24652	10.3
461.28506	3.3
479.30820	3.6
519.33014	16.5
541.35095	4.9
559.36322	81.1
565.94312	2.7
621.41034	5.2
639.42566	47.3
657.43494	21.4
659.86841	2.4
872.45496	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	872.537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.8
65.03929	3.4
67.05508	80.6
69.03429	10.6
69.07074	45.4
70.06573	2.3
70.21666	4.6
70.22037	2.6
71.04435	1.8
71.05015	9.7
79.05498	53.3
80.05846	1.5
81.03423	17.7
81.07062	70.1
83.04998	8.8
83.08624	22.7
84.04521	8.8
85.02895	4.0
85.06531	4.6
86.09689	2.0
91.05489	45.9
93.06483	2.9
93.07051	49.8
95.04966	13.8
95.08056	2.5
95.08615	32.2
96.04493	1.8
97.02914	11.4
97.06546	19.0
97.10175	21.0
98.21452	1.4
99.08097	3.9
101.07117	1.8
103.05477	1.9
105.07037	37.6
107.04979	13.9
107.08609	39.4
109.06543	8.3
109.10162	42.5
111.04478	1.7
111.08104	7.8
115.07574	2.9
117.07031	16.9
119.08583	28.7
119.09370	2.3
121.06517	5.6
121.10158	19.0
123.08075	5.9
123.11694	5.0
125.09639	15.9
127.03893	2.0
128.06247	1.9
129.07027	12.0
130.05029	10.5
131.08571	20.1
133.06516	4.3
133.10144	26.2
134.45213	1.5
135.08044	8.7
135.11720	8.7
137.09607	5.8
142.07773	1.6
143.08589	9.0
145.10135	17.5
147.07716	16.5
147.11720	14.5
148.07954	1.7
149.09615	10.5
149.13261	7.5
151.11192	4.4
153.09096	1.6
155.08466	1.3
155.10699	1.9
157.10182	7.9
159.11714	12.7
161.09607	4.5
161.13260	2.4
163.11203	8.0
165.09114	1.8
165.12805	1.8
169.10104	4.0
169.12192	2.5
171.11717	5.8
173.11755	5.7
173.13280	4.9
174.78529	1.4
175.11182	4.5
177.12769	6.1
179.14261	1.8
181.12267	2.1
183.11653	2.5
184.07336	2.5
187.11212	2.2
187.14949	2.1
189.11244	8.3
189.12729	2.7
193.12251	4.2
195.11913	1.5
195.13908	2.7
197.13281	3.1
205.12157	2.6
217.15984	1.5
223.13284	19.2
227.12816	18.0
227.18028	1.9
229.14310	25.4
239.18001	3.4
245.13748	1.6
249.14824	2.5
253.14275	7.1
257.19131	8.1
263.20172	1.7
267.15897	7.8
268.16217	1.5
269.17490	23.7
273.18488	21.9
275.20056	29.3
291.19559	100.0
293.21088	3.7
331.22604	2.1
335.25729	3.0
344.22058	1.5
347.22192	6.5
349.23767	19.9
365.23260	61.4
367.24838	11.4
423.27582	1.7
439.26645	2.2
461.29041	2.7
479.29950	2.9
501.32108	3.3
519.33197	59.1
528.37689	2.7
541.35046	8.2
543.36755	3.3
546.38373	2.9
559.36304	72.4
577.38062	2.1
621.41345	4.6
639.42499	45.6
657.43579	19.1
678.42639	1.8
753.81714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26445	1.0
65.62991	0.9
67.05513	17.0
69.07064	6.1
69.79793	2.0
69.80179	3.3
70.95872	5.8
71.08642	8.5
72.77245	0.9
72.93793	16.4
74.95385	1.9
79.05504	10.4
81.03428	6.5
81.07069	16.8
82.95884	1.4
83.08617	4.4
85.10185	5.5
86.95310	1.3
88.96922	1.6
89.94081	1.4
90.94844	9.8
91.05492	5.0
93.07047	8.8
95.04996	1.3
95.08620	15.6
96.00610	1.0
97.10170	1.6
97.23352	1.0
98.21545	1.2
98.77724	1.1
102.94822	4.5
103.03914	1.2
105.07033	3.8
107.08591	3.9
109.10168	5.2
113.96406	4.2
116.96366	4.2
119.08576	2.6
121.10155	4.2
123.11716	1.5
126.98428	3.2
128.96397	6.2
129.97127	1.3
130.97943	2.7
131.08591	1.7
132.95859	22.5
133.10159	1.5
134.97427	2.1
134.98906	1.0
136.93134	1.3
138.98453	1.2
140.96376	3.0
144.95872	9.1
144.99512	3.1
146.97406	11.4
148.99046	1.5
150.96921	5.7
151.02010	1.5
154.97969	2.6
155.97446	3.6
156.95847	4.0
158.97430	13.2
160.98961	1.3
162.96924	3.5
164.98495	32.6
164.99860	1.5
165.03674	1.3
165.97128	1.8
166.97914	1.7
169.99063	1.8
170.97398	8.4
172.95328	1.3
172.99005	2.4
174.96938	2.1
176.98482	2.6
178.97903	2.0
179.05249	1.1
181.98982	2.1
182.97435	4.4
184.98982	2.6
185.02501	1.1
188.00104	3.0
188.98477	8.3
191.00114	1.9
192.97935	2.2
196.91985	2.4
196.97359	1.7
196.98990	1.9
198.96918	50.5
199.00545	1.9
200.98494	4.6
203.00014	2.6
204.97934	1.4
206.99525	7.8
213.03702	2.2
214.93095	6.5
215.00076	2.2
215.05325	1.2
216.97971	9.7
218.99469	6.0
221.98604	1.2
224.98398	1.1
227.05289	2.1
230.99509	7.7
233.01083	13.2
239.99535	5.1
240.94653	1.7
241.05270	2.1
242.99545	1.6
245.01128	1.5
253.06578	1.1
254.99579	1.6
255.06728	1.6
262.93118	24.8
270.95682	5.6
273.00586	3.3
275.02057	1.8
275.07281	2.1
279.08102	2.2
280.94180	14.3
281.09857	3.8
283.11429	2.2
285.94711	3.7
294.95294	1.4
296.97397	1.1
298.91754	1.4
298.95221	25.1
303.95651	2.2
307.13806	2.8
309.15170	1.7
311.16763	1.2
312.96762	4.6
313.27420	55.5
316.96463	1.4
318.95459	1.3
321.96930	3.4
327.15945	1.9
329.11960	4.9
329.17746	8.7
331.13629	13.4
332.15439	1.4
333.15158	100.0
334.15741	1.5
335.25888	32.9
336.96808	7.7
347.18701	3.8
352.19336	1.2
354.97873	14.6
365.13809	1.2
372.98923	29.3
374.17520	3.3
385.20142	3.0
389.17593	1.8
396.00400	3.1
407.18842	14.6
414.01523	3.2
449.19662	1.9
501.15976	1.3
519.17212	1.4
537.18469	2.5
541.15833	1.3
573.48840	6.4
575.19836	2.3
576.19971	1.2
593.13409	1.4
593.21002	16.0
597.18610	1.5
611.21930	67.7
612.21832	1.7
615.19287	50.8
633.20398	67.1
634.22729	2.6
645.41675	2.8
652.24414	10.9
871.43799	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	870.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.0
67.05518	24.3
68.05861	0.9
69.03441	2.6
69.07081	8.5
70.06596	1.2
71.05000	5.3
71.52143	0.8
73.02910	1.3
79.05069	1.2
79.05502	16.2
80.68393	0.7
81.03429	33.9
81.07067	32.6
82.07395	0.8
83.04998	4.7
83.08632	11.5
84.04521	1.0
85.02928	5.2
85.06558	3.0
87.04473	0.8
91.03951	2.0
91.05495	16.2
93.07056	21.2
94.46031	0.7
95.01325	0.9
95.04975	12.9
95.08616	8.7
97.02910	3.4
97.06534	5.9
97.10178	2.7
99.08082	1.3
105.07043	10.2
107.04969	3.6
107.08606	13.0
107.75718	0.7
109.06537	2.6
109.10148	3.7
111.04454	2.3
111.08115	5.8
113.06056	1.0
113.09561	0.7
117.07030	4.5
119.08603	5.2
119.51433	0.7
121.06503	2.9
121.10148	7.9
123.08089	1.1
123.11717	3.1
125.09625	1.3
129.07028	5.1
131.08592	7.9
133.06500	2.1
133.10136	8.9
135.08083	1.6
135.11707	2.7
137.06010	0.9
137.09729	0.9
142.07788	1.6
143.08548	0.8
145.06526	1.6
145.10139	1.1
147.08025	1.1
147.11697	4.3
149.09618	3.2
149.13293	10.1
151.11148	1.9
157.10149	4.5
159.08191	0.8
159.11707	5.2
161.13068	0.7
163.11249	1.1
165.12802	1.3
171.11661	0.8
173.09741	0.7
175.11224	5.8
176.88603	0.8
177.12737	2.1
187.13319	1.2
189.05623	0.7
193.12256	13.9
195.13786	4.3
207.13890	1.0
211.13260	3.9
227.12895	1.1
233.15401	0.9
249.14891	1.6
267.15958	39.2
268.16397	0.8
269.17532	28.0
270.17859	1.1
285.17004	1.4
301.20145	1.2
371.70032	0.8
387.25043	1.0
435.27496	4.6
443.28040	2.6
453.28778	4.4
461.29050	100.0
462.29330	2.0
479.30090	10.1
503.29968	3.1
511.32938	11.2
527.30200	0.9
557.31067	1.0
569.30890	1.5
587.32153	2.5
597.31860	1.4
605.33142	1.8
623.33862	2.4
655.36444	1.5
713.76489	0.8
853.54071	0.8
870.37744	2.2
896.70691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.6
65.03935	4.1
67.05509	83.5
69.07073	16.6
70.06569	2.8
71.04996	26.7
73.02900	2.6
79.05498	39.5
81.02985	2.7
81.03424	28.1
81.07063	93.0
83.04974	8.8
83.08629	11.3
85.02902	6.5
85.06562	11.2
86.09708	2.6
91.03969	2.9
91.05491	37.8
93.07049	46.5
93.07635	3.2
93.22683	1.8
95.01337	20.9
95.04977	15.3
95.08608	24.4
97.02871	5.8
97.06532	10.7
97.10149	5.4
99.04475	2.5
99.08073	2.7
105.07034	21.8
107.04990	10.2
107.07980	2.6
107.08615	27.4
109.02882	2.9
109.06523	3.0
109.10159	26.3
111.08086	7.8
113.02379	2.9
117.07034	14.1
119.04929	2.4
119.08574	15.2
121.02847	3.1
121.06502	16.8
121.10143	15.0
123.04448	3.9
123.08064	5.9
123.11720	14.1
125.02346	5.9
125.09580	2.6
127.03910	3.1
129.06995	8.2
131.04961	3.3
131.08582	14.0
133.06465	4.8
133.10130	24.3
135.04442	3.1
135.08034	6.1
135.11714	19.7
137.05957	3.2
139.03856	2.9
141.01866	3.4
143.08551	4.8
145.06473	4.3
145.10121	11.7
147.04358	7.0
147.08055	5.0
147.11687	5.9
149.05992	3.9
149.09595	3.2
149.13229	14.9
151.03914	2.7
151.11165	7.6
155.08539	3.1
157.10175	4.1
158.37444	1.9
159.08075	2.3
159.11690	17.6
161.05980	2.7
161.09573	2.2
161.13200	4.8
163.03946	3.9
163.07625	2.3
163.11174	15.4
169.10245	2.7
171.11647	9.8
173.05948	2.2
173.11693	5.9
173.13148	4.2
175.07492	2.5
175.11295	2.7
177.12720	14.4
181.12271	3.4
183.11702	2.2
183.13763	2.3
187.11235	4.8
187.13255	7.4
189.12782	4.7
189.60486	2.4
191.10657	2.0
195.13834	5.2
201.14804	4.7
205.12170	11.0
207.11894	3.5
207.13783	29.0
213.03659	2.1
215.14375	2.5
215.92656	1.9
217.12230	2.3
223.13364	2.7
225.14772	2.4
227.12788	14.4
229.00191	2.4
229.14392	9.6
233.11694	4.3
233.15344	4.8
243.13678	3.2
243.15962	3.4
257.17505	4.8
261.14856	11.9
269.14206	3.4
269.17422	21.0
271.13446	3.6
283.15457	6.2
289.14429	17.9
299.12909	2.4
301.20029	18.6
307.15363	6.9
325.16473	5.8
335.14920	13.5
353.15918	4.9
419.27997	2.8
423.27271	7.3
427.19733	28.8
435.52322	2.1
445.29440	3.7
451.26999	7.6
459.18683	9.2
477.28403	19.9
509.30927	18.6
521.27875	2.9
547.29529	2.5
577.30176	17.0
595.31134	100.0
603.31818	11.1
613.32092	3.5
621.32697	94.2
635.34393	27.7
639.33795	11.4
646.22784	2.1
653.35248	73.8
671.36383	17.4
688.40381	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	867.2135
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
63.02372	0.7
65.03950	2.0
67.05503	0.8
68.99791	6.7
69.46354	1.2
69.46779	1.7
75.14938	0.4
77.03947	1.1
79.05494	1.2
81.03436	2.9
81.03838	0.6
83.04986	0.7
85.02901	1.6
89.03925	1.4
91.05499	0.6
93.03401	1.9
95.04972	1.6
98.20750	0.7
98.21348	1.5
99.04458	1.5
103.05472	0.9
105.03396	0.8
107.04959	4.9
109.02877	4.1
111.00813	6.3
111.04446	6.8
115.05482	0.8
117.03387	1.3
119.04926	1.5
121.02863	1.7
123.04435	57.5
124.04806	0.4
127.03923	100.0
129.07011	0.7
131.04924	2.7
131.08647	0.5
135.04425	52.8
137.02330	4.6
137.05989	1.8
139.03908	45.2
139.67970	0.4
141.06990	1.4
143.04919	1.2
145.02841	0.9
145.06482	1.3
147.04417	6.6
149.02362	7.5
149.05986	1.9
149.50589	0.5
150.03221	0.6
151.03911	13.8
153.01860	0.9
153.05431	1.1
153.06918	0.4
155.04918	1.4
157.06509	1.1
159.04408	4.2
160.02798	0.5
160.40585	0.4
161.02338	1.3
161.05981	3.5
163.03914	57.6
165.01830	0.9
165.05489	4.3
165.75345	0.4
167.03426	5.6
167.04758	0.7
169.04982	2.6
169.06525	2.8
171.04472	0.5
173.02336	0.7
173.05983	4.5
175.03926	3.6
175.07610	0.8
177.05464	7.5
179.03400	8.9
179.06921	0.5
181.05139	0.8
181.06512	0.8
183.04378	2.0
185.05974	2.4
187.03885	9.1
187.07578	0.8
189.01810	0.6
189.05507	2.9
190.02592	0.4
191.03395	10.5
191.05084	0.7
191.07063	0.6
193.04964	2.0
197.05992	4.3
199.03874	0.6
201.05461	8.3
201.07195	0.6
203.03403	11.8
203.05215	0.8
203.07022	1.6
205.04994	2.9
207.02895	0.7
207.06544	1.0
209.05969	0.4
213.05496	2.7
215.03503	3.4
215.06940	3.0
216.04068	0.6
217.04945	2.4
219.06482	0.8
221.04445	0.8
223.02426	1.3
225.05482	3.0
227.03491	0.9
227.06996	1.0
229.04970	12.0
231.02872	1.0
231.06483	2.4
233.04416	4.6
235.02396	0.4
237.05457	1.3
239.03313	0.4
241.04974	2.6
243.02982	0.7
243.06512	5.7
244.03761	0.6
245.04469	64.7
247.06030	46.9
248.06360	0.6
251.05489	0.6
253.05089	2.7
255.06525	3.9
257.04471	14.6
258.05234	1.1
259.06030	9.7
261.07498	2.4
263.05502	1.7
265.04941	1.2
267.06622	0.8
269.04443	5.1
270.05212	1.2
271.06021	26.3
273.04214	0.6
273.07648	1.5
274.04666	3.2
275.05487	22.3
279.06625	1.2
281.04434	1.5
283.06009	12.5
285.03946	2.3
285.07410	1.0
286.04700	0.8
287.05515	19.8
289.07077	32.8
291.08658	16.8
293.04523	0.8
295.06003	2.1
297.03973	2.2
297.07471	1.2
299.05429	5.5
301.07059	10.9
303.05258	0.9
303.08701	1.8
307.06052	0.9
309.04111	2.7
309.07297	0.8
311.05643	2.5
313.07092	2.4
319.05997	0.6
321.03967	0.7
321.07401	0.5
323.05588	2.8
325.06918	0.6
329.07141	0.5
331.08075	1.8
333.07465	0.8
335.05405	1.1
337.07053	1.1
341.06476	0.8
345.07410	0.5
349.07001	0.9
351.05084	3.0
361.07120	1.7
363.04633	0.5
363.08698	0.8
365.06714	1.4
367.08051	1.1
373.06912	0.7
377.06564	1.4
379.08032	3.0
383.07770	3.0
389.06641	2.2
391.08264	2.6
393.05991	4.1
395.07434	2.1
396.08200	0.6
397.09164	7.4
401.06796	0.5
405.05957	4.1
407.07629	23.5
409.09192	23.5
410.09412	0.9
411.10858	3.1
417.06265	0.8
419.07712	4.0
421.09286	3.4
425.08627	11.5
427.10239	13.1
431.07654	1.1
433.09048	2.3
435.11057	1.0
437.08740	10.4
439.10526	2.3
449.08575	3.0
451.10266	5.9
453.11523	0.6
461.08887	0.6
469.11517	0.7
517.11224	3.5
527.09741	3.6
529.10779	0.6
535.12744	2.6
541.11365	2.1
545.10858	5.9
553.11267	0.6
557.10510	0.8
559.12177	2.4
571.12531	2.0
577.13763	2.5
579.15002	7.9
589.13208	1.2
679.14154	1.7
697.15533	5.4
699.16229	0.7
715.16174	1.7
892.99268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	1.5
61.02928	7.3
65.03953	0.9
67.05509	29.0
69.03422	1.3
69.07073	13.5
69.59945	4.7
71.04995	2.9
71.08636	15.9
73.02916	2.0
77.22523	0.8
79.05495	13.1
81.03399	1.1
81.07059	41.3
83.04967	2.2
83.08154	1.2
83.08625	13.6
85.02912	7.9
85.06546	2.1
85.10182	9.5
89.06038	1.0
91.03962	5.2
91.05481	6.1
93.07047	20.2
95.04941	1.6
95.08060	1.4
95.08611	19.2
97.02893	3.3
97.06541	5.5
97.10170	3.9
99.08091	2.4
103.07568	0.7
103.83073	1.0
105.07011	3.5
107.08600	14.9
109.10173	6.8
111.08064	2.8
111.11759	1.3
117.07059	3.7
119.08602	2.0
121.06551	0.9
121.10149	9.5
121.79004	0.7
123.11700	3.0
127.03922	0.9
131.08575	3.4
133.10135	3.7
135.08104	0.8
135.11664	5.6
139.11176	1.5
142.67816	0.7
145.04999	2.1
149.13258	18.7
149.61336	0.7
159.11711	7.1
163.06050	2.1
177.12753	3.1
184.07307	1.5
195.13760	4.5
223.64293	0.7
239.23720	1.1
257.24802	1.3
269.17487	91.3
270.17929	1.0
276.52029	0.7
309.45294	0.7
313.27374	46.4
336.86105	0.9
452.99335	0.8
507.40466	100.0
508.40744	1.8
662.01416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.1
62.16083	2.4
65.03928	6.9
67.05511	100.0
69.03439	24.2
69.07082	27.1
71.01345	8.8
71.04990	6.8
73.02918	4.3
79.05498	89.2
81.03426	53.1
81.06592	4.8
81.07064	91.6
83.04980	14.4
83.08632	16.6
85.02911	24.7
85.06560	3.5
91.05489	76.1
93.03443	3.1
93.06482	5.5
93.07052	79.8
95.01328	20.8
95.04973	30.4
95.08609	65.8
97.02906	27.7
97.06535	11.8
97.10170	7.3
99.04462	7.8
99.36438	2.8
101.02345	5.5
103.03996	4.1
103.05451	8.3
105.07043	53.0
107.04959	19.0
107.08602	46.8
109.02890	17.8
109.06521	13.6
109.10171	29.6
111.04450	10.5
111.08092	6.1
115.03886	3.2
115.05474	8.4
117.07031	28.5
119.04972	7.4
119.08587	37.4
121.02911	6.3
121.06508	16.2
121.10153	32.1
123.04433	16.8
123.08067	10.0
123.11694	7.5
125.02368	8.0
125.09607	6.6
127.03944	21.1
128.06250	3.8
129.05469	5.0
129.07016	24.2
131.04947	11.0
131.08580	38.0
133.06488	16.1
133.10147	31.2
135.04410	10.7
135.08072	12.2
135.11681	18.5
137.05983	5.1
137.09625	3.4
139.03923	3.8
139.07553	2.9
141.01839	9.6
141.05507	4.3
141.06972	12.3
142.07826	3.7
143.08589	15.4
145.06482	14.3
145.10135	24.9
147.04436	23.5
147.08069	8.3
147.11685	21.3
149.02295	4.0
149.05997	12.2
149.09612	6.0
149.13290	9.2
151.03926	15.0
155.03450	3.6
155.08553	9.8
157.06477	6.8
157.10118	16.0
159.04326	4.0
159.08084	9.8
159.11740	21.0
161.06007	9.8
161.09616	5.2
161.13239	11.3
163.03874	8.9
163.07545	4.7
163.11220	6.0
163.14828	3.2
165.05513	4.6
167.08553	6.8
169.04935	11.6
169.06342	4.7
169.10124	12.1
171.08058	4.4
171.11655	15.6
173.04451	4.2
173.09622	8.3
173.11827	4.3
173.13269	8.1
175.03900	11.6
175.11224	16.6
175.14865	3.5
177.05528	4.0
177.12779	6.4
179.03419	5.8
181.10106	5.7
183.08038	3.8
183.11671	6.2
184.07373	4.2
185.06009	3.3
185.09615	4.9
185.13228	7.7
187.07599	5.3
187.11194	11.0
189.05528	5.2
189.12732	6.6
191.03418	4.3
193.10204	3.4
193.12280	6.1
195.11732	6.1
197.09685	6.7
197.13336	5.1
199.11119	5.9
201.12842	4.6
203.10695	5.1
205.10141	3.0
205.12233	7.9
206.10933	3.8
207.13718	4.4
211.11246	3.5
211.13257	4.3
213.12729	3.6
215.10663	4.9
217.12234	4.7
223.11343	4.2
223.13268	5.5
225.12787	4.5
227.10666	5.3
229.12192	3.4
229.14456	4.0
231.13968	2.8
233.11758	7.0
233.15230	2.9
235.11188	4.3
241.12257	5.8
243.10208	5.7
243.13863	3.4
245.11758	5.3
249.12698	2.8
251.12794	6.7
259.13242	5.2
259.20587	5.8
261.11200	8.2
261.14944	7.5
261.22165	12.7
263.12817	5.5
269.11673	5.0
271.13293	6.4
279.12463	4.3
287.12848	21.3
289.14291	17.8
291.19476	7.5
305.13861	13.2
307.15234	4.5
315.12259	20.2
315.22989	3.8
323.14822	8.2
333.13315	34.1
333.24176	7.7
335.25827	64.8
351.14368	24.0
369.15253	8.0
369.24347	6.6
387.25500	4.6
405.25784	4.3
407.17062	19.0
425.18207	16.8
427.19385	4.0
443.19434	7.0
477.17700	4.3
479.29971	5.6
527.37299	4.0
569.22485	3.4
587.23474	7.5
652.31311	2.8
667.38782	21.0
685.39526	40.3
703.40149	21.0
775.40771	3.0
811.42261	7.3
829.43256	10.6
847.44556	29.4
865.47198	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	865.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.5
64.67113	2.1
65.03934	6.6
67.05508	100.0
68.99789	2.7
69.03125	2.3
69.03439	22.0
69.07069	23.6
71.01338	7.1
71.04995	8.3
73.02930	4.4
77.03918	2.7
79.05495	82.7
81.03423	45.5
81.07061	89.0
83.04981	11.9
83.08623	18.4
85.02898	18.8
85.06542	4.8
87.30391	1.8
91.05484	74.7
92.05831	3.3
93.07052	78.6
95.01335	17.8
95.04975	25.7
95.08615	59.9
95.09119	1.3
97.02900	23.4
97.06543	6.6
97.10162	8.0
98.21558	3.9
99.04449	6.7
99.08107	2.9
101.02396	5.6
103.03915	3.3
103.05474	5.9
105.03407	2.9
105.04500	2.8
105.07029	53.9
107.04958	22.5
107.08591	40.6
109.02898	17.1
109.06529	12.1
109.10165	37.2
111.00815	3.8
111.04457	9.6
111.08081	5.7
113.02372	2.3
115.05427	5.5
116.06300	2.1
117.07020	32.9
119.04978	7.2
119.08588	43.4
121.02839	5.1
121.06505	15.9
121.10152	30.3
123.04422	16.3
123.08072	7.6
123.11720	3.2
125.02364	6.3
125.06002	4.3
125.09634	5.6
125.25344	2.0
127.03952	12.5
128.06216	5.5
129.05501	3.4
129.07040	21.4
131.04950	13.7
131.08582	36.5
133.02905	2.9
133.06488	11.0
133.10144	30.1
135.04434	16.6
135.08064	12.1
135.11694	14.5
137.02310	3.1
137.05948	6.4
137.09647	4.9
139.03893	6.1
139.11217	2.3
141.01811	6.6
141.06982	10.6
142.07780	5.5
143.08574	19.4
145.06476	11.7
145.10127	23.7
147.04399	22.1
147.08037	10.6
147.11694	20.2
149.02315	2.9
149.05954	7.0
149.09631	8.8
149.13240	9.2
151.03923	15.6
151.07484	2.4
153.05449	3.2
153.07034	1.9
155.08595	13.2
157.06532	7.3
157.10132	22.9
159.04427	4.6
159.08121	9.6
159.11699	23.4
161.04785	1.9
161.05966	10.6
161.09622	6.2
161.13271	11.4
163.03957	11.1
163.07584	5.6
163.11188	4.1
163.14879	3.4
165.05453	3.9
165.06897	2.1
167.08546	4.7
169.04964	8.6
169.06404	3.0
169.10162	12.5
171.08052	7.8
171.11668	10.3
173.04585	2.9
173.05931	11.3
173.09628	8.1
173.11754	6.3
173.13300	12.1
175.03952	11.7
175.11191	12.6
175.14772	2.2
177.05486	3.8
177.12729	9.8
179.03456	2.2
179.07033	1.8
179.08568	5.6
179.10649	2.1
180.09196	2.1
181.10103	7.1
183.08092	2.0
183.11667	5.2
184.07353	7.9
185.06046	2.9
185.09596	4.9
185.13293	6.6
187.03889	3.4
187.07591	4.0
187.11188	12.8
187.14813	3.8
189.05438	7.9
189.09129	2.5
189.11168	2.6
189.12788	4.5
191.03380	2.4
191.10735	4.7
193.04993	3.2
193.10677	2.1
193.12152	10.9
195.11755	4.9
197.09621	5.1
197.13211	5.2
199.07570	2.6
199.11224	9.2
199.14911	2.9
201.09175	3.6
201.12683	2.8
201.16510	2.1
203.07016	2.3
203.10617	4.4
205.10394	2.7
205.12274	7.4
207.11839	2.5
207.13873	4.7
209.09706	2.5
209.13304	2.5
211.11327	3.9
211.13266	4.4
213.05399	3.4
215.10727	7.5
217.04922	2.9
217.12219	7.1
221.13399	2.3
223.11220	3.9
225.09210	2.4
225.12767	2.7
227.10703	6.5
227.12636	2.8
231.10309	2.8
231.13861	3.1
233.11781	6.7
233.15263	2.2
235.13324	4.7
241.12244	6.8
243.10156	7.1
243.13867	4.2
243.21240	2.9
245.11736	5.1
245.13882	3.7
251.12769	6.1
255.10045	3.9
259.13358	6.3
259.20636	9.0
261.11246	5.6
261.14713	4.4
261.22043	10.9
263.12671	3.5
269.11755	6.6
271.13303	8.0
273.11328	4.1
277.14426	3.7
279.12390	5.1
283.20493	2.3
287.12814	19.8
289.11417	2.9
289.14340	15.7
289.21387	2.2
297.13382	5.5
301.21588	2.9
303.23230	3.2
305.13776	13.3
307.15433	6.2
313.21735	2.2
315.12344	13.4
315.23264	2.1
317.24765	4.2
323.14777	4.6
329.08524	2.3
333.13321	29.1
333.24124	3.5
335.14890	2.5
335.25842	47.6
336.26141	2.6
345.17056	2.5
347.14932	3.1
351.14426	29.0
351.23129	2.6
351.38385	2.3
361.16568	2.1
363.18027	3.8
365.16025	2.5
369.15384	8.2
369.24377	10.1
371.17029	2.7
377.26544	2.2
387.25122	3.2
389.16077	3.1
405.26465	4.7
407.17014	16.1
423.17181	2.3
425.18082	19.8
427.19620	3.1
441.17383	2.5
443.19073	4.6
461.28888	4.2
477.17770	3.3
479.30127	8.5
494.66571	2.2
495.18329	3.7
497.30676	2.0
513.19476	2.9
527.37085	2.6
569.21722	2.6
587.23096	6.0
593.35107	3.9
607.36658	2.6
611.35901	3.4
613.37238	3.0
625.37537	3.9
649.36945	2.4
667.38214	18.9
685.28912	2.9
685.39508	43.3
703.40289	24.4
724.43616	3.0
757.44519	2.0
769.41052	2.5
775.41406	4.3
793.41486	3.5
811.42523	10.2
829.43750	10.3
847.44757	25.8
865.45795	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	865.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.4
65.24143	0.3
67.01884	1.3
67.05514	1.0
69.03430	8.4
69.07081	0.8
69.16104	0.3
70.77234	0.8
71.01378	0.4
71.05010	1.3
73.02934	1.0
73.29504	0.3
76.02251	0.6
79.05502	1.0
81.03423	3.5
81.07063	0.6
83.01392	0.9
83.08645	0.6
85.02905	20.1
86.03252	0.3
87.04500	1.6
89.03020	0.3
91.03985	1.0
91.05476	2.2
93.07066	1.3
95.05004	1.0
95.08627	1.4
97.02895	7.1
99.04475	1.4
103.05503	0.3
105.07008	2.2
107.04971	0.8
107.08596	2.5
109.02874	2.8
109.10165	1.9
113.02386	0.4
117.07018	0.6
119.04932	1.6
119.08574	3.1
121.10138	3.1
123.04456	2.4
125.02329	0.4
127.03922	4.1
131.08597	1.4
133.02849	0.5
133.09137	0.6
133.10129	8.3
133.11095	0.5
134.10513	0.6
135.08116	0.6
135.11690	2.0
137.05978	1.0
139.03871	0.6
139.34833	0.3
141.01808	0.4
145.04965	4.4
145.06499	0.6
145.10126	0.7
147.04414	7.0
147.11676	6.0
149.02327	0.3
149.05994	0.6
149.13252	0.6
151.03911	4.5
155.03384	2.6
158.10924	0.5
159.04430	0.6
159.11731	0.8
161.02293	0.5
161.13249	1.7
162.02115	0.4
163.03928	1.1
163.07458	0.4
164.09677	0.3
165.01801	0.5
165.05502	2.5
167.03354	1.1
167.07082	1.5
169.04977	9.7
169.06377	0.6
169.10025	0.4
173.05960	0.6
173.13258	4.2
174.13857	0.4
175.03935	3.2
175.14780	0.5
177.05496	3.3
179.03406	10.1
179.04910	0.8
179.06963	0.5
181.04987	2.1
183.02879	1.1
183.06534	1.5
185.04462	3.2
185.09622	0.4
191.07021	1.5
191.14296	0.9
193.04965	17.5
194.05664	0.5
195.06514	5.4
197.04456	45.7
198.04860	0.5
201.05415	1.0
203.03339	0.4
205.04967	0.7
207.06534	0.7
209.04471	1.3
209.08026	1.7
211.06010	100.0
212.06369	1.0
215.07082	0.4
217.04935	2.7
219.06531	6.0
221.04480	2.4
221.08046	0.6
223.06001	7.5
225.07567	0.8
233.08073	0.8
235.06010	10.7
237.07559	24.1
239.09113	2.0
241.08658	0.5
244.29976	0.4
245.08064	0.4
247.09404	0.5
249.07613	2.3
251.09035	4.1
255.10265	1.7
257.07980	0.5
259.09558	0.6
261.07483	0.5
261.11319	0.8
263.09177	2.2
265.10748	1.5
271.09650	0.4
273.11237	0.9
275.09085	1.7
277.10742	3.0
279.12241	3.5
283.09528	0.7
285.11130	1.4
287.09174	1.0
289.10782	2.2
291.12292	1.2
297.11182	1.8
297.14548	0.4
299.12433	0.5
301.10721	3.0
303.12210	5.2
305.13818	4.7
308.09030	0.9
314.11374	0.4
315.12338	4.7
315.15869	0.8
317.13840	4.4
319.15363	0.5
331.15402	11.0
339.15692	0.9
345.16937	5.3
357.16962	37.2
358.17090	0.9
359.09744	3.0
373.11304	20.0
375.18106	0.7
376.18375	0.4
399.12613	0.8
413.12827	0.4
442.14761	0.4
454.70633	0.4
499.19727	6.9
507.21628	0.5
519.22229	5.8
523.19250	0.7
541.20715	27.5
683.59747	0.4
703.26099	1.6
802.01666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.2
67.05506	5.0
67.98241	0.4
69.03429	2.5
69.07056	2.4
71.04993	0.8
73.02922	2.5
77.31425	0.4
79.05506	3.7
81.03413	2.5
81.07056	6.2
83.04990	0.7
83.08617	1.1
85.02906	4.4
86.09723	2.3
87.04480	0.5
87.93324	0.4
91.03960	1.8
91.05489	3.1
93.07043	3.7
95.04974	0.9
95.08613	1.6
97.02911	3.1
97.06552	0.6
97.10200	0.6
99.04420	0.5
101.02398	1.6
103.03920	0.4
105.06400	0.3
105.07027	2.3
107.08600	2.0
109.02885	0.4
109.10181	1.1
117.07047	1.3
119.08599	1.5
121.10147	0.9
123.78615	0.4
125.00003	1.9
127.03930	1.0
131.08601	1.1
133.10158	0.9
135.11749	1.0
136.06203	0.5
145.10187	0.8
147.08092	0.4
147.11781	0.8
149.09694	0.5
159.11702	0.9
174.62379	0.5
184.07327	6.7
185.04236	0.5
202.41214	0.3
203.05324	0.7
243.08339	3.6
317.33276	0.4
333.20334	3.5
389.23056	1.1
439.19214	2.3
453.21027	2.6
469.20538	1.2
551.28296	12.1
699.45477	0.5
720.46967	0.4
861.49640	100.0
862.49908	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
67.05508	3.8
69.03429	2.2
69.07069	3.0
71.01373	0.5
71.04993	0.7
71.52457	0.3
73.02927	3.0
79.05489	3.8
81.03426	1.6
81.07056	4.6
83.04989	1.0
83.08611	0.5
85.02909	3.5
86.09721	1.3
87.04483	0.4
91.03975	1.6
91.05488	3.1
93.07053	3.0
95.04987	1.2
95.08086	0.3
95.08608	2.0
97.02904	3.2
97.06554	0.9
97.10164	0.4
99.04462	0.4
101.02392	1.3
101.36671	0.3
103.03947	0.6
105.07020	1.9
107.04971	0.5
107.08596	2.3
109.02905	0.6
109.10167	1.3
111.08082	0.5
117.07058	0.5
119.08602	1.3
121.10159	0.9
125.00074	0.4
125.09658	0.4
127.03947	0.9
129.07048	0.3
131.08597	0.7
133.10176	1.1
135.11761	1.5
136.06213	0.9
145.10197	0.8
146.30763	0.3
147.11748	0.8
149.09625	0.6
149.13274	0.4
159.11729	0.6
171.35074	0.3
173.13249	0.3
184.07323	2.4
185.04163	0.3
198.70529	0.3
212.98351	0.3
241.06989	0.4
243.08444	2.8
250.92331	0.3
301.09021	0.3
303.19354	0.7
315.10440	0.3
333.20343	3.4
389.23209	1.1
439.19165	1.7
453.20901	1.6
469.20419	0.4
551.28314	10.5
623.31104	0.6
681.42944	0.4
749.40259	0.4
861.49683	100.0
862.49957	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	861.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.5
63.23973	0.7
67.05521	5.4
69.03429	2.2
69.07086	1.3
69.20285	6.6
73.02936	3.6
79.05514	2.2
81.03440	1.2
81.07072	4.3
83.08645	0.8
85.02910	5.2
91.03962	3.8
91.05489	2.0
93.07047	2.7
95.08595	4.8
97.02908	4.5
99.04446	0.8
101.02411	2.0
105.07026	1.7
107.08590	1.5
109.10168	4.9
119.08598	1.6
121.10144	1.0
127.03946	1.5
129.05472	0.7
131.08589	0.7
135.11649	1.1
171.53020	0.7
181.04730	0.7
184.07326	0.9
185.04285	1.2
195.09984	1.0
243.08499	3.0
301.09048	2.3
335.25916	0.9
373.11008	1.1
385.18311	1.6
413.17923	6.8
425.01428	0.8
425.93631	0.7
519.29303	11.6
578.30963	2.9
591.31659	1.5
633.36798	0.9
662.40222	2.0
691.40332	100.0
692.40796	2.3
719.42804	1.2
747.42810	1.7
758.54028	0.9
762.73584	0.9
861.49921	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	859.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59341	0.3
61.02935	2.8
65.03952	0.7
67.05510	7.4
69.03426	2.6
69.07073	3.2
71.01361	0.5
71.04993	0.7
71.08662	0.6
71.52315	0.4
73.02926	2.8
79.05500	5.2
81.03410	2.2
81.07068	7.6
83.04993	0.8
83.08646	1.2
85.02911	3.5
86.09722	0.5
91.03950	1.8
91.05489	4.2
93.07053	4.7
95.04964	1.7
95.08613	3.7
97.02895	3.5
97.06551	0.8
97.10188	1.3
99.04472	0.7
101.02405	1.3
105.07034	3.3
105.33595	0.3
107.04957	0.5
107.08596	2.8
109.02897	0.7
109.06543	0.6
109.10179	2.4
111.08092	0.4
116.07121	0.4
117.07037	0.9
118.02162	0.3
119.08559	1.8
121.10176	1.5
122.58917	0.3
123.11749	0.4
125.00040	0.4
125.09657	1.5
127.03932	1.0
129.00284	0.3
129.07010	0.5
131.08556	1.1
133.10158	1.5
135.08070	0.8
135.11729	1.5
143.08620	0.8
145.10147	0.8
147.11737	0.8
157.10208	0.5
159.11772	0.8
171.11763	0.5
171.25706	0.4
184.07419	1.3
185.04245	0.4
187.14906	0.4
203.05276	0.6
223.13367	1.3
224.65015	0.4
243.08432	4.0
291.19556	1.6
305.49545	0.4
331.19006	1.2
333.20493	1.2
335.25946	1.3
344.22247	1.9
345.22696	1.4
362.23376	0.9
363.23755	0.7
369.15378	0.5
369.79181	0.4
387.21405	0.6
389.23346	0.5
436.27313	0.7
437.27484	0.7
439.19556	0.8
451.19257	0.5
453.21204	1.3
469.20392	0.6
517.39233	1.6
549.26794	6.3
551.28241	5.7
623.31097	0.4
697.48871	2.1
859.48114	100.0
860.48425	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02941	3.6
65.03941	0.8
67.05512	6.0
68.50374	0.4
69.03442	2.8
69.07079	3.5
69.16041	4.1
70.06586	0.6
71.05000	1.2
73.02934	1.9
75.20043	0.4
79.05495	5.1
80.05801	0.5
81.03433	2.5
81.07068	5.1
82.07389	0.5
83.04992	0.9
83.08626	1.5
85.02912	3.1
91.03955	1.5
91.05507	4.0
92.05824	0.5
93.07043	3.8
95.04998	1.3
95.08614	2.9
97.02913	3.2
97.06544	1.3
97.10170	1.9
98.20782	0.8
99.04464	0.6
99.08109	0.9
101.02396	1.7
105.07054	2.6
107.04955	0.9
107.08613	3.2
109.06521	0.9
109.10162	1.9
116.07119	1.6
117.07025	0.7
119.08603	1.8
121.06549	0.4
121.10158	1.1
125.09650	1.7
127.03957	0.7
129.07008	0.7
131.08611	1.1
133.10136	1.3
134.10432	0.4
135.08096	0.4
135.11740	1.1
135.65463	0.4
137.09682	0.5
145.10146	1.0
147.11732	1.1
159.11720	0.9
184.07401	1.1
185.04262	0.6
189.11378	0.7
203.05421	0.6
223.13333	1.0
234.37442	0.5
243.08435	3.9
273.18597	0.6
275.20206	0.4
291.19675	1.8
331.19003	1.6
333.20401	1.6
335.25763	0.6
336.26480	0.7
389.23102	0.8
439.19598	1.1
453.21063	0.7
483.62292	0.5
530.39764	0.7
549.26898	5.8
551.28210	6.9
623.30524	0.6
626.44788	0.9
644.46069	0.6
697.48108	0.5
761.41595	0.4
780.48663	0.5
859.48157	100.0
860.48499	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	857.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	2.8
67.05511	5.4
68.05830	0.4
69.03437	3.3
69.07076	5.3
70.59912	1.1
71.05019	0.5
71.08643	0.4
73.02934	2.3
79.05505	5.1
80.05845	0.5
81.03448	2.1
81.07073	5.0
83.04988	0.8
83.08618	2.1
85.02924	2.8
87.41953	0.3
91.03987	1.5
91.05497	3.2
93.07055	3.5
94.07420	0.5
95.05000	1.1
95.08608	2.6
97.02905	3.4
97.06551	0.9
97.10186	3.1
99.04498	0.6
101.02412	1.4
103.10837	0.3
105.07035	2.0
107.04990	0.9
107.08607	2.8
108.08931	0.3
109.02866	0.3
109.06548	0.6
109.10157	2.3
115.05502	0.5
115.44682	0.3
117.07073	1.0
119.08598	1.7
121.10175	1.0
123.11695	0.4
125.09618	2.3
127.03964	0.6
129.07068	0.5
131.08600	1.1
133.10184	1.5
135.08134	0.9
135.11769	0.6
137.09627	0.6
143.08585	0.3
145.10196	1.0
147.08057	0.4
149.09683	0.6
149.13297	0.7
157.10072	0.3
159.11734	0.6
185.04257	0.5
189.11325	0.6
193.12209	0.4
195.13976	0.4
203.05350	0.5
223.13339	2.3
241.06813	0.4
243.08456	4.7
273.18619	0.7
291.19656	3.0
292.19998	0.6
301.09094	1.0
331.18903	3.0
333.13412	0.6
335.25989	1.2
336.26279	0.5
344.22409	1.3
365.23465	0.6
369.15350	0.6
387.21298	1.6
432.74268	0.4
451.19437	0.4
495.31674	0.3
549.26801	11.8
549.35394	0.6
560.36853	0.9
621.28674	0.6
642.44202	0.7
685.39795	1.2
696.49030	0.5
857.46655	100.0
858.46484	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	856.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.8
65.03933	4.6
66.89572	1.0
67.05512	95.5
68.06425	0.9
69.03436	4.8
69.07079	27.9
70.06588	3.7
71.05003	11.4
71.08640	1.3
73.02917	2.3
74.90429	0.9
77.03921	1.3
79.05502	64.9
81.03425	15.1
81.07064	88.0
83.04982	9.6
83.08619	15.0
83.46896	1.0
85.02924	4.7
85.06543	3.8
91.04909	1.4
91.05489	48.4
93.07055	73.0
95.04990	9.8
95.08615	54.1
97.02906	3.0
97.06542	12.1
97.10197	7.7
99.08055	2.3
105.04494	1.4
105.07043	31.9
106.97364	0.9
107.04972	5.5
107.08607	42.6
109.06539	5.5
109.10166	34.2
111.04438	1.5
111.08101	6.0
111.11758	1.0
113.09637	1.0
113.93831	1.0
115.05456	2.3
116.07100	3.4
117.07027	15.1
119.07724	1.2
119.08591	26.8
121.06544	4.8
121.10155	30.9
121.42730	1.2
123.08067	4.2
123.11725	7.1
125.09639	4.2
127.03920	3.2
129.05501	2.4
129.07027	5.1
131.08582	21.6
133.10144	22.9
135.08057	3.3
135.11723	16.9
137.09618	3.7
137.13272	1.4
142.07846	1.0
143.07570	1.1
143.08585	4.5
145.10132	15.1
147.11691	9.8
149.09628	6.8
149.13272	12.6
150.80180	1.0
151.11185	1.6
155.08569	2.8
155.10664	2.1
156.36157	1.0
157.06517	1.1
157.10172	7.2
159.11725	14.4
161.09633	2.2
161.13246	6.4
163.11194	4.2
163.14827	1.2
165.09195	1.4
165.12825	1.5
169.10150	4.0
171.11697	5.0
173.09608	1.8
173.11781	3.6
173.13274	7.6
175.11189	1.9
175.14864	2.5
177.12811	3.7
183.11746	1.8
185.13258	3.1
187.14854	3.6
189.12738	1.7
193.12151	2.3
195.13846	3.4
197.13200	2.2
198.18175	1.2
199.14871	2.0
201.16434	1.2
203.14336	1.1
213.14650	1.2
213.16464	1.6
215.14072	1.0
215.18051	1.7
217.15959	1.3
219.13812	1.2
219.17239	1.1
227.12790	4.3
229.14369	21.5
233.15334	1.3
239.18004	1.9
243.21069	3.0
247.20589	1.9
249.18423	1.2
257.18970	4.2
259.20294	1.2
261.22131	10.1
267.15979	9.8
269.17532	9.7
275.20062	16.4
286.74786	1.3
289.18155	1.5
293.17740	1.0
293.21112	3.2
317.24771	1.7
331.22903	2.4
333.24231	2.0
335.25827	77.1
336.26297	1.3
339.18106	2.7
349.23767	17.5
349.27649	2.0
363.25702	1.3
369.24301	1.3
381.26431	4.1
395.20688	1.3
413.21863	11.0
437.34360	2.4
455.35178	1.2
489.35812	15.5
507.36761	2.1
508.37753	1.2
511.38159	1.5
527.37073	4.4
529.38940	100.0
530.39111	2.8
545.38434	4.4
569.42084	17.8
609.45184	30.1
610.45581	1.4
618.09033	1.1
627.45911	4.2
637.40918	3.0
641.47809	12.5
655.41290	1.6
663.29144	1.2
673.43207	10.4
691.43701	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.1
65.03940	5.7
66.79424	1.6
67.05513	95.4
69.03436	14.5
69.07074	43.6
70.06592	5.8
70.17357	3.0
70.17741	2.3
71.04994	8.5
72.08160	24.2
73.02915	2.1
78.04712	1.8
79.05502	100.0
81.03425	17.1
81.07066	94.4
83.04984	11.8
83.08630	38.3
85.02917	9.4
85.06548	5.4
86.09698	2.3
91.04000	1.8
91.04910	2.6
91.05488	66.2
93.07054	72.6
95.04967	13.3
95.08617	46.7
97.02895	5.6
97.06544	22.5
97.10180	62.5
99.04474	2.1
99.08125	3.3
103.05490	3.3
105.06322	2.0
105.07042	64.8
107.04975	14.3
107.08604	95.9
109.02882	4.3
109.06535	13.7
109.10169	29.5
109.27276	1.7
111.04459	2.2
111.08105	7.1
115.05490	4.3
116.07076	2.3
116.10744	6.8
117.07032	27.1
119.08593	47.0
121.06535	4.7
121.10155	24.7
123.08099	5.5
123.11713	7.7
125.09643	66.0
127.03903	10.0
128.06181	2.0
129.06989	12.6
130.07800	1.8
131.08583	30.8
132.10225	1.9
133.06490	1.7
133.10147	43.1
133.11104	3.0
135.08076	12.3
135.11700	17.6
137.09654	2.8
141.07022	3.6
143.08578	12.3
143.10690	3.0
145.06511	3.4
145.10130	38.7
147.08124	2.0
147.11711	24.4
149.09642	23.5
149.13309	9.4
151.11215	4.9
153.09119	5.0
155.08559	5.9
155.10730	2.1
157.10098	9.3
159.11717	25.7
161.09628	4.5
161.13275	9.4
163.11230	15.4
169.10127	6.2
169.12274	1.6
171.10191	5.1
171.11705	8.4
173.04517	2.4
173.09695	2.4
173.11896	2.8
173.13306	11.5
175.11208	3.2
175.14842	2.8
177.12747	5.4
179.14314	4.7
183.11757	8.2
184.07350	5.0
185.13266	5.1
187.11240	4.3
187.13300	2.8
187.14832	5.1
189.11244	30.8
189.12837	1.3
193.10194	1.9
195.11969	1.6
195.13852	4.8
197.13268	5.7
199.14726	2.3
201.12862	1.9
201.16466	1.9
209.13170	1.9
211.14825	3.6
213.16408	3.0
215.18004	3.3
227.12802	99.5
229.14240	3.0
229.19572	3.9
233.15408	1.8
237.16437	1.9
239.17973	5.2
243.15968	3.3
243.21101	2.3
245.13898	10.8
247.16986	2.2
247.20703	5.7
255.15808	8.5
257.19055	17.5
261.22079	3.6
269.17468	22.2
275.20087	89.1
283.20590	2.1
291.19556	3.9
293.21075	3.9
299.20279	2.6
315.14624	1.7
331.22678	6.2
335.25894	3.2
349.23773	92.1
353.26834	1.8
365.23221	2.9
367.24872	4.7
374.94403	1.7
380.70706	1.9
389.18295	2.2
397.22141	4.3
421.25607	2.7
425.25354	3.9
433.30969	2.7
439.26999	9.6
444.92825	1.8
445.29230	3.0
447.56696	1.8
451.32639	2.0
452.27240	1.8
455.31549	2.0
463.31229	2.2
491.92841	2.1
501.32040	4.2
503.33664	4.8
511.34302	3.5
519.33099	18.0
525.35742	7.0
527.37585	3.2
529.35254	19.0
531.38037	2.1
543.36847	75.3
544.37378	2.6
561.37524	5.3
569.29675	2.1
583.31207	3.0
605.41620	4.4
623.43121	55.2
623.53241	2.6
624.43726	1.8
638.76898	1.9
641.44019	18.4
663.36951	3.3
687.40790	2.2
694.48254	3.7
856.54315	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.8
62.09165	0.8
65.03944	4.9
67.05508	83.6
68.34167	0.9
69.03435	9.3
69.07072	44.1
69.25821	4.4
69.26257	2.8
70.06586	2.5
71.01354	1.8
71.05003	7.0
71.08649	0.9
73.02904	2.3
77.03927	2.5
79.05498	71.4
81.02988	1.3
81.03426	16.7
81.07060	100.0
82.07423	0.9
83.04994	15.1
83.08627	19.3
85.02898	6.0
85.06544	5.9
91.05486	58.6
92.05829	0.9
93.07050	72.5
94.07375	1.1
95.01379	0.8
95.04971	15.2
95.08612	39.4
97.02893	7.6
97.06537	22.6
97.07156	1.5
97.10171	13.4
99.04457	2.8
99.08102	4.0
103.05444	1.8
104.06303	0.8
105.04517	2.1
105.07035	48.3
107.04957	11.4
107.08598	48.8
109.02891	1.5
109.06539	9.0
109.10162	16.7
111.04459	2.0
111.08096	6.5
113.09631	1.8
115.05470	2.0
116.06232	1.4
116.07108	1.7
117.07026	21.8
119.04877	1.0
119.08588	34.9
121.06496	7.0
121.10152	22.7
123.08068	5.7
123.11737	5.1
125.09644	10.8
127.03892	3.8
127.07592	1.0
128.06232	2.5
129.05460	2.3
129.07001	9.8
130.07803	1.0
131.08577	28.0
133.06528	2.2
133.10143	32.0
135.08064	7.7
135.11702	21.3
137.09618	3.6
139.11169	1.2
141.06993	3.5
142.07822	2.0
143.08563	7.7
144.09297	0.8
145.05022	1.3
145.06453	2.8
145.10127	24.1
146.10455	1.3
147.08022	2.9
147.11694	15.8
149.09621	18.0
149.12175	0.6
149.13272	16.3
151.11125	3.0
153.12746	0.9
155.08578	5.8
156.09354	0.8
157.06483	1.1
157.10132	7.3
159.08058	1.8
159.11696	24.0
161.09595	2.3
161.13261	7.2
163.11192	12.2
163.14867	1.1
165.09123	1.0
165.12761	2.4
169.10144	5.4
171.10365	1.6
171.11687	7.0
173.04440	1.7
173.09607	1.4
173.11893	1.8
173.13268	7.6
174.29414	0.8
175.11194	2.3
175.14932	1.3
177.12781	7.1
179.14337	4.4
181.10155	1.9
181.12238	1.5
183.11685	6.0
184.07405	1.0
185.13281	3.0
187.11189	2.9
187.14870	2.1
189.11215	5.1
189.12753	1.7
195.11938	1.9
195.13832	7.9
197.13245	4.5
199.11111	0.9
199.14832	1.4
201.12743	2.4
201.16367	1.2
205.12225	1.6
207.13582	0.8
209.13290	1.5
213.12798	0.8
215.14374	1.5
217.16116	0.9
219.13875	1.5
227.12782	13.8
229.14349	2.3
229.19533	2.3
233.15376	1.6
233.19020	0.9
235.17027	0.8
237.16400	1.0
239.18019	4.8
245.13635	1.4
247.20630	2.4
249.16412	0.9
251.16498	1.8
253.14389	2.5
253.17950	1.8
255.15855	15.3
257.19022	12.9
259.20554	1.3
267.15964	3.4
269.17477	46.4
273.18521	1.4
275.20074	46.8
276.20532	1.1
291.19543	2.1
292.19870	2.0
293.21124	4.9
297.21835	0.9
299.16162	0.9
321.20554	0.8
321.24176	1.7
331.22742	4.0
349.23755	47.0
350.24066	2.7
353.24854	1.3
365.23257	1.5
366.23886	1.1
367.24783	7.1
371.17316	1.1
409.26303	1.0
413.21628	1.9
419.29019	0.9
423.27597	2.0
431.27972	1.4
433.30246	1.2
435.27402	2.3
439.27084	2.3
445.29663	2.4
447.31265	1.5
449.29004	21.6
451.32062	2.8
463.24203	1.8
463.30588	29.7
469.33063	2.5
485.32770	1.1
503.33640	1.6
515.37079	1.6
519.32831	1.7
525.36011	4.3
529.35211	9.8
531.37769	0.9
543.36841	45.7
547.36060	2.0
561.37793	7.8
589.34021	1.2
593.32959	1.1
605.41675	1.5
607.34662	1.5
623.42999	9.5
641.44250	6.3
659.45001	1.7
687.41223	1.2
746.47845	1.0
856.45624	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	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41759	1.2
61.02921	2.9
65.03932	4.6
67.05512	89.8
69.03436	10.1
69.07075	51.3
70.06605	1.4
71.01368	2.0
71.04994	6.6
71.16935	2.5
73.02934	1.6
77.03922	1.1
77.56182	1.0
79.05501	78.7
80.19769	1.2
81.03432	16.7
81.03880	2.0
81.07065	100.0
83.04995	16.3
83.08154	1.4
83.08629	19.7
85.02912	8.4
85.06555	5.2
91.05490	68.4
93.07053	76.0
95.04975	15.2
95.08618	46.6
95.86853	1.2
97.02888	5.3
97.06536	25.1
97.10169	12.6
99.04487	2.7
99.08098	3.4
103.05471	2.3
105.04510	3.3
105.07043	56.3
107.04971	13.7
107.08607	55.3
109.02888	2.4
109.06509	9.3
109.10164	20.6
111.08081	7.1
113.06006	1.4
113.09676	3.0
115.05495	3.9
116.06268	1.6
117.07033	23.3
119.08597	40.1
121.06528	6.4
121.10152	25.5
123.04440	1.6
123.08089	6.4
123.11742	5.4
125.09624	12.6
127.03910	3.8
127.80999	1.2
128.06229	3.8
129.05519	2.2
129.07011	10.9
130.07794	1.8
131.08586	30.7
133.06462	5.3
133.10141	32.8
133.48770	1.1
135.08072	6.7
135.11708	27.1
136.51773	1.1
137.09645	4.4
137.34836	1.0
139.11224	2.0
141.06990	3.1
142.07780	1.8
143.08557	12.7
144.09377	1.6
145.04977	1.9
145.06474	3.7
145.10136	27.9
147.08081	4.1
147.11702	16.7
149.09634	23.5
149.13269	16.0
151.07480	1.5
151.11189	4.5
155.08578	7.3
157.10139	8.9
159.08118	2.7
159.11722	20.5
161.09589	2.8
161.13315	7.7
163.11201	16.2
163.14899	1.4
165.12857	2.1
167.08578	1.9
169.10147	8.0
171.08051	1.5
171.11649	8.2
173.04506	4.1
173.09662	2.0
173.11877	2.1
173.13298	9.7
175.11238	4.1
177.12798	7.0
179.08472	1.6
179.14331	5.1
183.11734	6.6
185.13271	4.8
187.11227	3.2
187.14897	3.0
188.41049	1.3
189.11253	6.7
189.12775	1.7
191.14307	1.2
193.09869	1.0
193.12270	2.2
195.11821	2.3
195.13840	8.0
197.13272	5.7
199.14871	2.8
201.12773	2.1
203.05179	1.2
203.14284	1.2
205.12253	1.5
209.13403	2.6
211.14905	2.5
215.14478	1.5
215.17970	2.2
217.15971	2.1
219.13837	2.3
219.17484	1.4
227.12772	17.1
227.14644	1.6
229.14154	2.1
229.19609	3.1
233.15582	1.2
239.18045	5.4
245.13841	2.6
247.20615	4.2
251.16348	1.3
253.14284	1.5
255.15948	16.6
257.19016	16.2
259.20688	2.7
267.15933	4.4
269.17511	48.0
273.37213	1.1
275.20096	58.5
283.20673	1.3
285.17148	1.2
291.19733	1.6
293.21170	6.4
299.23465	1.3
301.21722	1.3
313.21686	2.2
329.21301	1.1
331.22751	4.5
333.24240	1.9
347.23090	1.3
349.23770	59.8
353.24915	1.3
359.26749	1.4
367.24866	4.6
377.19635	1.7
413.21591	1.7
431.28284	2.5
433.30725	2.1
435.27368	3.4
439.26672	2.0
445.29379	3.0
449.29016	23.4
451.31943	3.4
463.30640	28.8
469.32681	2.1
489.31934	1.4
503.33743	3.0
513.35608	1.7
515.37427	2.9
519.32922	2.3
525.35919	8.4
527.37268	1.8
529.35345	16.2
543.36865	53.7
547.35889	2.4
561.38037	9.7
567.37006	1.3
607.34454	1.8
623.43048	12.8
641.44513	6.9
653.43231	1.3
687.40887	2.2
705.41840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
65.03944	4.1
67.05508	100.0
69.03434	4.4
69.07073	16.9
71.01360	1.6
71.05006	3.7
71.08631	0.7
73.02928	3.0
77.03931	1.2
79.05498	46.8
80.05846	0.6
81.03423	8.7
81.07061	59.6
83.04990	8.2
83.08626	13.5
85.02904	12.7
85.06543	3.0
87.04487	4.2
91.03950	1.1
91.04904	1.0
91.05485	26.3
93.07048	43.1
94.07906	0.5
95.04982	6.2
95.08611	39.5
97.02890	4.3
97.06532	5.7
97.09552	0.9
97.10175	15.2
98.20721	1.3
99.04478	0.8
99.08125	1.2
103.03951	1.0
105.04532	1.6
105.07034	16.6
107.04966	2.8
107.07999	0.5
107.08599	26.0
109.06532	2.2
109.10161	54.8
111.04455	1.4
111.08100	4.3
113.09673	0.6
115.05453	0.6
116.04716	0.7
117.07014	6.9
119.08586	14.6
121.06540	1.1
121.10149	16.5
123.08093	2.6
123.11723	4.4
125.09644	12.6
127.03917	0.5
128.06181	0.7
129.05486	1.8
129.07014	2.1
130.07770	0.8
131.08566	11.0
133.10141	8.3
135.08121	1.1
135.11703	13.9
137.09650	3.0
137.13272	1.4
139.11183	1.3
141.09160	0.5
143.08601	1.1
143.10692	2.7
144.94649	0.5
145.06558	0.7
145.10132	9.2
147.08032	1.4
147.11699	5.3
149.09679	1.4
149.13286	5.3
153.12756	2.5
155.08574	0.7
155.10684	4.0
157.08678	0.5
157.10188	1.5
159.11713	4.9
161.13258	3.3
163.11177	8.4
163.14824	2.7
165.12758	0.7
171.10165	1.1
171.11685	1.0
173.09673	1.3
173.11755	12.3
173.13286	4.1
175.11255	1.0
175.14833	1.6
177.16405	0.8
181.12276	2.0
183.11665	0.7
185.13272	1.3
187.14894	2.1
189.11234	1.2
191.10666	1.7
193.12257	2.2
199.13277	4.9
199.14656	0.5
201.14772	0.6
201.16479	0.7
209.11719	5.0
211.13226	0.9
217.14340	1.4
227.12779	7.4
229.14365	41.7
233.22705	0.6
243.21124	3.5
259.20566	1.3
261.22150	11.4
267.15805	3.3
283.15393	2.1
289.21732	0.9
299.23932	0.6
301.16464	12.8
315.23117	0.9
317.24838	2.6
327.23145	1.2
335.25809	68.8
336.26117	1.0
345.24097	0.5
363.25223	0.9
371.25296	0.6
385.74741	0.5
389.26993	0.6
399.23825	14.5
459.34610	0.9
469.33228	0.7
474.41699	0.6
477.35638	5.0
489.35812	14.6
543.36737	2.0
561.37909	6.2
579.39111	2.7
659.45221	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.8
65.03934	3.2
66.92216	0.7
67.05508	59.9
69.03438	12.5
69.07072	40.0
69.07388	0.6
69.07462	1.1
69.99924	1.8
71.01359	0.6
71.05014	5.0
73.02911	1.5
76.02227	0.9
77.03917	1.3
79.05496	47.0
81.03425	10.0
81.07059	59.8
83.04985	9.7
83.08624	14.8
84.04547	0.7
85.02900	3.7
85.06535	3.7
89.38156	0.7
91.05484	40.5
93.07049	43.9
95.04964	11.4
95.08611	26.8
95.09073	0.5
97.02906	11.4
97.06526	11.5
97.10177	14.3
98.20807	1.2
99.08094	2.1
103.05482	1.0
104.15782	0.8
105.04549	1.7
105.07037	30.6
106.49709	0.9
107.04961	11.7
107.08598	32.7
109.02877	2.2
109.06517	5.8
109.09469	1.3
109.10158	17.6
111.04459	1.1
111.08086	4.5
115.05443	2.4
116.01689	1.1
116.06277	1.2
117.07034	15.8
119.04951	1.6
119.06037	0.8
119.08588	22.2
120.05723	0.7
121.06519	6.4
121.10154	13.3
123.04444	1.7
123.08089	6.5
123.11755	3.5
125.09644	11.3
127.03899	1.2
127.07584	0.9
128.06238	1.9
129.05519	1.1
129.07039	6.2
130.07806	1.4
131.08580	18.8
133.06499	5.4
133.10139	23.2
134.07248	1.0
134.28654	0.8
135.08064	8.1
135.11687	9.8
137.09622	2.8
137.13335	0.7
139.11205	0.9
141.07001	1.2
142.07770	0.9
143.08548	5.6
145.06496	1.1
145.10143	15.4
146.07332	0.8
147.08070	6.3
147.11708	8.8
149.09627	8.3
149.13271	9.7
151.11206	4.7
153.09094	1.5
155.08580	1.5
157.10144	3.7
159.08125	1.7
159.11693	10.1
161.09624	3.4
161.13277	2.9
162.10503	0.8
163.11168	5.8
165.09102	0.9
165.12740	1.4
169.10118	1.9
169.12244	1.5
171.10248	1.4
171.11574	3.9
173.04443	1.2
173.09576	1.2
173.13277	3.3
175.11229	2.7
177.12740	4.4
179.10619	1.2
179.14381	1.0
181.10130	0.8
183.11717	1.1
185.13303	1.6
187.11151	0.8
189.11250	4.4
189.12688	1.1
193.12279	1.0
195.13815	4.7
197.13286	1.1
203.14261	0.9
203.75073	0.7
205.12262	2.4
219.13809	0.9
223.13301	19.3
227.12775	8.5
227.17960	0.9
229.19528	0.8
239.17986	2.0
245.13792	1.0
245.18904	1.7
247.20517	1.4
249.14851	3.7
253.14377	11.2
255.15714	5.5
257.18973	4.0
261.14688	0.8
263.20001	2.1
267.15887	2.0
269.17496	28.7
273.18500	16.9
275.20074	16.9
291.19553	100.0
292.19843	2.4
293.21048	0.8
296.53308	0.8
308.09109	1.1
309.20648	1.7
315.22769	0.9
329.21408	0.8
331.22653	1.4
335.25870	0.9
347.22217	4.1
349.23730	13.9
365.23251	48.7
367.24817	2.8
435.15469	0.7
447.27258	0.8
461.28979	2.0
465.28452	1.2
467.31149	0.8
495.77664	0.8
519.33002	1.2
527.33466	1.7
541.35370	4.3
545.34723	16.5
559.36316	79.6
560.36597	1.9
621.41180	1.7
639.42511	19.9
657.43762	3.5
703.40088	2.5
707.43085	3.7
854.45496	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.1
65.03938	2.8
67.05509	45.5
69.03434	10.3
69.07072	36.3
69.47981	3.1
69.48402	2.6
71.05025	4.9
77.11395	0.8
77.68563	0.7
79.05497	42.1
81.03411	10.4
81.07062	49.4
82.07375	0.8
82.48930	0.8
83.04988	6.6
83.08620	14.1
85.02895	3.9
85.06538	2.5
89.88835	0.8
91.04913	1.2
91.05487	36.2
93.07050	38.8
95.01349	1.4
95.04987	11.9
95.08612	18.5
97.02899	10.2
97.06544	11.7
97.10175	16.1
99.04487	1.3
99.08091	1.7
103.05441	1.3
105.04515	1.2
105.06308	1.1
105.07031	31.0
107.04966	11.5
107.08601	31.7
107.81450	0.9
109.02872	1.4
109.06517	5.4
109.10158	11.7
111.04443	2.0
111.08099	5.1
112.75508	0.8
113.06030	0.9
115.05439	1.7
117.07030	14.3
119.04942	2.0
119.08585	21.7
121.06483	5.5
121.10169	11.5
123.04402	1.3
123.08044	4.4
123.11694	2.8
125.06028	1.0
125.09642	15.6
127.03912	1.8
128.06223	1.3
129.05525	1.0
129.07037	5.2
130.07780	1.1
131.08592	14.2
133.06514	4.1
133.10139	17.9
134.07265	0.9
135.08046	6.3
135.11693	8.0
135.12619	1.2
137.09608	3.2
143.08586	5.2
145.06532	1.7
145.10149	13.8
147.08086	6.3
147.11700	7.5
149.09631	8.3
149.13257	7.5
151.11179	5.0
153.09064	1.7
155.08501	1.9
157.10178	4.2
159.07974	2.1
159.11700	10.6
161.09610	3.3
161.13249	3.1
161.25359	0.9
163.11229	5.6
165.09119	1.9
165.12798	0.9
169.10091	2.4
169.12213	1.1
171.10214	1.8
171.11685	3.5
173.04477	1.5
173.09628	1.0
173.11807	1.6
173.13255	4.0
175.11279	2.0
177.12769	4.0
179.10672	1.4
179.14270	1.7
181.12285	1.9
183.11684	1.8
185.13266	2.6
187.11115	1.8
187.14758	1.3
189.11267	6.2
189.12656	1.1
190.44730	0.9
191.10643	0.9
195.13814	3.7
197.13339	1.0
199.14769	1.2
201.16431	0.9
205.12262	2.3
223.13309	16.6
227.12770	16.5
229.19614	1.7
233.15314	1.3
239.18050	2.3
245.19049	2.1
249.14841	3.8
251.16536	1.2
253.14398	6.5
255.15802	6.0
257.19067	5.7
263.20261	1.8
267.15741	1.5
269.17468	18.2
273.18500	17.6
275.20087	23.8
277.07980	1.0
291.19553	100.0
293.20981	1.2
309.20560	1.5
331.22635	1.8
347.22064	3.7
349.19797	1.6
349.23764	22.5
365.23233	51.1
366.23239	1.2
367.24832	2.8
418.85861	0.9
421.25858	0.9
423.23822	1.2
449.30307	1.1
461.28952	2.8
519.33240	1.2
527.33521	1.9
535.32416	1.5
541.35156	4.9
543.36511	1.3
545.34784	19.1
559.36310	55.6
560.36609	2.6
599.39459	1.4
621.41644	2.5
639.32080	1.7
639.42584	28.0
640.42340	1.3
657.43762	4.5
854.44440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04228	0.4
61.02928	5.8
65.03935	1.0
67.05507	42.4
69.03428	1.4
69.07069	8.4
71.04995	13.5
73.02920	1.8
77.03917	0.4
79.05494	17.6
81.03407	2.9
81.07057	64.2
83.04984	3.5
83.08617	9.2
85.02906	7.4
85.06544	5.7
87.04476	0.8
91.03965	4.3
91.04898	0.6
91.05482	15.9
93.07047	27.7
93.32399	0.3
95.04986	2.5
95.08607	11.1
97.02882	3.9
97.06528	6.6
97.10171	2.7
98.26324	0.3
99.04453	0.7
99.08108	1.8
105.04485	0.5
105.07036	6.1
107.04973	1.0
107.08598	19.7
109.06528	1.6
109.10149	7.4
111.08080	4.6
117.07009	3.8
119.08591	2.1
121.06542	0.7
121.10144	10.6
123.08101	0.6
123.11708	7.0
125.09632	1.4
127.03917	1.5
129.05501	0.6
129.07027	0.6
131.08577	5.5
133.09117	0.7
133.10132	12.7
135.08049	1.3
135.11694	6.1
139.11209	0.8
143.43031	0.5
145.04965	1.4
145.10141	0.9
147.11705	1.8
149.09692	0.7
149.13258	16.4
151.11186	4.7
159.11687	7.9
161.13171	0.5
163.06067	2.3
163.11195	1.0
165.12721	0.7
169.12225	0.6
173.11818	0.8
177.12759	3.5
183.13832	1.3
187.13307	2.4
193.12320	0.5
195.13791	6.4
199.13268	0.4
209.11818	0.8
213.14911	1.0
225.14922	0.6
229.14340	3.4
246.13869	0.3
251.16420	0.6
257.17642	1.1
267.15796	1.1
269.17487	14.8
282.04633	0.4
283.15378	0.6
285.17297	0.6
291.35715	0.4
301.16492	1.4
301.20129	4.2
423.27560	3.7
437.29022	29.8
445.24054	0.5
445.29657	0.5
451.30594	3.6
463.30548	100.0
464.30960	1.9
495.33466	39.6
496.33463	1.5
513.30542	1.5
607.34473	1.3
627.75476	0.4
639.37311	2.8
781.71423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	11.3
64.92216	0.6
65.03941	2.0
67.05506	64.6
69.03424	3.9
69.07072	11.2
69.16624	5.9
71.04997	20.5
73.02911	5.2
76.33117	0.6
79.05494	27.7
81.03426	6.9
81.07058	88.2
83.04987	5.8
83.08152	1.0
83.08624	13.9
85.02905	16.2
85.06548	7.6
87.04469	1.3
91.03954	9.5
91.05483	25.1
93.07043	35.1
95.04967	3.9
95.08612	14.0
97.02888	8.4
97.06525	8.4
97.10169	4.9
99.04466	1.2
99.08091	1.8
105.07033	10.2
106.70276	0.6
107.04966	1.8
107.08598	25.1
109.02918	1.8
109.06540	2.5
109.10157	18.8
111.08084	4.6
115.03944	0.9
117.05582	0.6
117.07013	7.8
119.08574	3.7
121.06540	1.8
121.10145	10.5
123.08131	1.0
123.11702	14.3
125.09642	3.0
127.03929	3.3
129.05493	1.7
130.07919	0.7
131.08586	7.6
133.10133	21.7
135.08093	1.6
135.11693	8.2
137.09624	0.9
143.08620	0.6
145.04965	3.9
145.10138	1.0
147.08023	0.8
147.11713	2.1
149.09741	0.8
149.13246	12.3
151.11177	8.3
151.12346	0.7
153.12817	0.8
155.10725	1.2
157.10146	1.2
159.11707	8.0
163.06032	3.6
163.11255	1.2
165.12799	0.7
167.14294	0.8
169.12285	1.4
173.09650	0.8
173.11708	3.1
177.12732	5.1
183.13808	3.4
187.13326	3.3
191.10652	0.7
193.12256	1.4
195.13795	10.4
199.13469	1.9
209.11729	1.4
211.13391	0.8
213.14972	1.7
225.14986	1.8
227.12920	1.9
227.16524	1.0
229.14360	13.2
229.16498	0.8
239.16486	1.2
251.16374	0.7
253.18124	0.9
254.63135	0.6
257.17639	1.1
267.15875	3.1
268.16937	0.7
269.17471	30.4
270.17761	0.6
283.15570	1.8
297.17123	1.0
301.16666	4.5
301.20285	8.0
317.59439	0.7
411.27740	1.0
422.26553	0.7
423.27405	14.8
431.27914	1.1
435.31387	1.0
437.28998	47.0
438.29584	1.0
445.30145	1.1
449.28809	0.8
451.30569	5.7
463.30554	39.7
464.31168	0.9
477.28207	1.1
495.33563	100.0
496.34161	1.4
513.30530	5.6
536.42877	0.8
607.35059	3.1
621.36682	0.9
639.37524	3.8
658.34381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02648	1.5
61.02930	16.4
61.30527	0.9
65.03923	4.3
67.05507	99.5
67.19145	0.9
69.03436	5.6
69.06728	1.5
69.07071	22.2
71.01352	2.0
71.04995	14.6
71.52672	1.1
71.53046	1.1
73.02917	8.5
79.05499	42.2
80.30693	0.9
81.03423	12.4
81.07060	100.0
81.82535	0.9
83.04977	10.8
83.08149	1.6
83.08622	20.7
83.37155	0.9
85.02438	1.6
85.02913	25.8
85.06547	8.0
87.04463	4.0
91.03957	13.5
91.05486	30.7
93.07047	51.6
95.04976	8.8
95.08612	25.0
97.02903	14.9
97.06542	9.6
97.10174	13.5
99.04481	2.6
99.08099	2.7
103.03927	1.4
105.04482	1.2
105.07037	13.7
107.04954	5.2
107.08598	33.7
109.02867	2.2
109.06519	2.7
109.10160	46.9
109.74565	1.0
111.04459	1.1
111.08090	8.6
113.06006	1.1
115.03912	1.5
117.06997	9.5
119.08595	10.0
121.06503	2.7
121.10146	11.5
123.08079	2.5
123.11706	12.2
125.06017	1.4
125.09633	10.9
126.94265	0.9
127.03912	3.8
129.05458	3.8
131.08574	9.5
133.10129	23.0
135.08046	2.9
135.11694	13.0
137.09610	3.1
139.11134	1.0
143.07030	1.2
143.10631	2.1
145.04962	6.3
145.10135	5.1
147.08051	1.1
147.11653	2.6
149.09647	2.5
149.13269	16.9
151.11197	4.8
153.12741	2.7
155.08534	1.0
155.10632	3.3
157.10144	1.8
159.11728	9.2
163.06021	5.9
163.11206	7.2
165.12756	2.1
173.09604	1.8
173.11734	11.0
175.11124	1.5
177.12723	4.7
181.12239	2.6
183.13869	1.3
187.13335	2.2
191.10628	2.0
193.12248	3.1
195.13828	15.7
199.13307	5.1
208.86737	0.9
209.11757	6.9
211.13292	1.4
213.14865	3.0
225.14716	1.3
227.12787	5.9
229.14354	40.7
230.14999	1.0
239.16373	3.1
257.13788	6.6
262.87009	1.0
267.15909	8.5
269.17490	63.7
283.15427	5.6
285.17044	1.0
297.17087	1.2
301.16428	12.6
301.20071	5.4
321.07968	1.0
323.18738	1.1
393.26248	2.7
411.27490	5.8
419.27771	1.5
423.27408	42.5
431.27786	1.7
437.29031	26.9
449.28870	2.6
451.30466	2.2
459.27576	1.1
463.30630	19.0
477.28400	3.4
495.29556	69.8
513.30658	23.8
607.35077	2.0
639.36572	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51825	0.6
61.02655	1.3
61.02934	16.9
65.03931	2.5
67.05511	91.5
69.03435	5.6
69.07076	19.0
69.80064	1.7
69.80453	1.8
71.01308	1.6
71.04990	6.6
72.18147	0.7
73.02926	9.2
74.90567	0.7
79.05501	38.9
81.03424	16.2
81.07066	70.2
83.01372	0.9
83.04992	10.7
83.08630	21.0
85.02914	32.2
85.06552	5.7
87.04485	4.7
91.03961	12.3
91.04905	1.0
91.05489	28.2
93.07053	43.9
95.04986	8.1
95.08621	23.1
97.01915	0.7
97.02901	16.8
97.06535	11.5
97.10182	15.1
98.20824	1.0
99.04456	2.5
99.08105	2.4
101.02387	0.8
103.03944	2.2
105.04527	1.5
105.07041	10.6
107.04991	4.6
107.08605	30.8
109.02859	1.5
109.06508	3.3
109.10168	55.6
111.04446	2.0
111.08092	7.5
111.11693	0.8
112.75645	0.7
113.05999	1.0
115.03905	1.2
116.04732	1.1
117.07024	9.4
119.08600	12.2
121.06505	3.6
121.10162	13.2
123.08082	3.0
123.11733	4.4
125.06059	0.8
125.09631	12.7
127.03941	6.4
127.11169	0.9
129.05496	5.4
129.07007	2.8
131.08554	8.9
133.10135	13.4
135.08092	2.5
135.11717	10.8
137.09622	3.8
139.11191	1.2
143.07057	2.0
143.10695	2.7
145.04964	5.1
145.10165	4.8
147.08008	1.7
147.11687	5.9
149.09601	2.1
149.13280	11.3
151.11211	2.1
153.12752	4.5
155.10666	3.6
157.08707	1.0
157.10104	2.0
159.11719	8.1
161.13277	0.8
163.06049	6.8
163.11195	8.0
165.12756	3.6
171.06537	1.0
171.10226	0.7
173.04482	2.3
173.09621	2.9
173.11748	16.0
175.11235	1.9
177.12775	4.4
177.92397	0.7
180.08705	1.1
181.12250	3.0
185.08159	0.9
185.11787	1.0
189.11270	1.2
191.10692	2.6
193.12285	5.6
195.13835	13.3
199.13383	5.5
209.11719	7.1
211.13264	4.3
213.14949	2.0
227.12839	9.8
229.14378	51.2
230.14635	0.8
239.16451	6.2
257.13965	1.9
265.14328	1.2
267.15985	16.2
269.17511	59.3
275.20154	1.1
283.15381	7.1
285.16971	2.1
297.17001	1.2
301.16501	18.0
313.16550	2.6
323.18579	2.2
357.24371	1.6
393.26251	2.5
411.27521	5.0
422.26419	1.0
423.27469	40.6
431.28183	5.1
449.29047	3.8
459.27356	1.1
463.30426	1.7
477.28680	4.7
495.29575	100.0
496.29956	2.2
513.30682	29.1
657.34698	0.9
713.80469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.6
67.05510	42.8
69.03438	9.2
69.07076	26.0
71.04990	3.0
71.08638	1.0
71.53307	1.2
71.63798	0.8
79.05499	35.3
81.03427	9.0
81.07062	42.0
83.04979	7.5
83.08629	11.0
85.02906	3.0
85.06550	3.7
88.69717	0.8
91.05486	39.6
93.07054	30.9
95.01335	2.5
95.04983	11.0
95.08612	15.3
97.02890	8.0
97.06563	5.1
97.10181	9.9
98.98468	1.6
99.04447	1.2
99.08079	1.6
103.05467	1.0
103.35995	0.7
105.03400	1.6
105.04577	0.9
105.07040	31.3
107.04957	12.5
107.08601	26.0
109.02870	1.8
109.06547	5.9
109.10162	30.0
111.04463	2.0
111.08102	3.0
115.05458	2.2
117.07035	10.2
119.04945	2.2
119.08593	15.3
121.06511	10.0
121.10156	7.6
123.04442	1.6
123.08073	5.3
123.11725	5.1
125.09658	7.0
127.07511	1.1
128.06227	1.6
128.82184	0.9
129.06987	5.7
130.07759	1.2
131.04889	1.0
131.08585	14.2
133.06520	6.6
133.10138	34.1
135.04475	0.9
135.08038	8.9
135.11685	3.9
137.09601	4.0
141.07028	1.2
143.08595	5.5
145.06529	1.3
145.10132	8.2
146.07361	1.0
147.08058	7.1
147.11684	4.9
149.09621	5.8
149.13266	2.2
151.11206	15.9
153.09094	1.2
155.08444	1.1
157.10155	3.7
159.08064	3.2
159.11717	3.5
161.09619	6.3
161.13275	1.9
163.07567	1.0
163.11201	3.0
165.09111	1.6
169.10185	1.0
169.12270	3.4
171.11687	2.6
173.09563	1.2
173.13297	1.4
175.11217	4.3
177.09132	2.5
177.12764	2.6
179.10730	1.5
181.10147	1.5
184.07297	1.6
185.13222	1.2
187.11111	1.3
189.11249	2.5
189.12776	1.0
193.12189	1.3
195.13840	1.7
199.11166	1.3
199.14771	0.8
201.07780	0.8
203.14368	1.0
205.12228	3.4
215.12727	1.7
223.13319	14.5
227.12709	4.3
227.17972	2.6
230.15437	2.6
243.17546	0.9
245.19028	4.9
249.14841	4.6
251.12823	2.1
253.14360	54.0
255.17371	3.9
263.16687	0.8
263.20010	4.4
271.15372	1.5
273.18527	38.3
275.19992	2.1
291.19565	100.0
292.19986	1.3
309.20578	2.8
311.25809	0.9
329.21188	1.8
347.22168	13.4
349.23840	1.6
360.18042	2.7
365.23251	54.1
374.26080	0.9
423.24210	1.0
451.29858	0.9
504.37680	2.0
543.32874	4.5
545.34406	1.2
557.34680	2.3
559.32727	2.3
561.34314	18.2
573.34308	1.5
575.35754	1.8
619.39728	1.1
637.40961	14.5
644.38422	3.9
655.42059	44.2
656.42316	1.7
662.39978	2.0
680.40906	10.7
690.45697	1.8
852.50085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.3
65.03906	0.8
67.05508	20.2
67.05842	0.7
69.03432	9.0
69.07072	24.7
69.07423	0.8
69.82690	1.6
71.04996	1.7
73.02894	0.4
79.05496	18.2
81.03427	4.6
81.07061	16.9
83.04984	3.3
83.08622	8.1
85.02859	1.2
85.06503	0.5
91.05488	13.7
93.07050	13.4
94.04160	0.4
95.01286	0.8
95.04972	6.8
95.08614	8.5
97.02897	8.8
97.06544	3.3
97.10171	11.4
103.05423	0.5
105.03367	0.5
105.04504	0.5
105.07038	11.6
107.04335	0.4
107.04967	5.8
107.08598	10.1
108.05699	0.6
109.02831	0.4
109.06525	2.1
109.09494	0.3
109.10162	5.9
111.04426	0.7
111.08086	2.1
115.05422	1.1
116.06208	0.6
117.07025	5.9
119.04903	1.1
119.08585	10.7
120.05697	0.5
121.06518	3.6
121.10139	3.8
123.04404	0.7
123.08073	3.4
123.11662	0.6
125.05960	0.3
125.09634	9.1
128.06175	1.0
129.07004	2.8
130.07735	0.7
131.08574	6.8
132.05670	0.4
133.06502	3.5
133.09265	0.3
133.10143	4.0
134.07237	1.0
135.04382	0.3
135.08078	2.8
135.11693	1.9
137.09659	2.0
137.10535	0.4
139.11165	0.4
141.06972	0.7
142.07721	0.4
143.08569	3.0
143.10660	0.3
145.06480	0.6
145.10136	5.3
147.06950	0.5
147.08044	5.9
147.11678	2.6
149.09618	2.1
149.13297	2.0
151.11157	0.5
153.09151	1.3
155.08559	0.6
157.10129	2.4
159.08009	1.0
159.11700	2.3
161.09592	2.2
161.13245	0.6
161.76773	0.3
162.10367	1.1
163.11229	1.5
165.09129	1.9
165.12646	0.3
169.10049	0.7
169.12221	0.4
171.10117	0.7
171.11659	1.3
173.09566	0.8
173.11746	0.5
175.11180	3.2
175.14713	0.4
177.12720	1.4
179.10643	0.6
183.11665	0.3
184.07262	0.3
185.09616	0.3
185.13176	1.0
187.11131	1.0
189.11244	3.8
189.12744	0.5
193.12308	1.3
195.13759	0.9
199.11194	0.4
203.10728	0.6
203.14357	0.4
205.12285	2.0
211.13277	0.5
223.13306	17.3
227.12798	5.4
227.17702	0.5
231.17610	0.3
245.19051	1.1
249.14886	3.4
255.17468	1.1
261.14890	0.4
261.18643	0.4
262.15765	0.3
263.20068	0.7
267.15863	1.2
273.18503	13.8
275.19901	0.3
283.15347	0.4
291.19547	100.0
292.19809	1.1
309.20572	1.1
329.21133	0.3
347.22192	3.0
365.23245	51.8
366.23544	0.5
419.24484	0.4
535.32495	1.3
557.34460	1.6
573.34283	0.9
575.35852	1.6
587.35822	0.7
637.40955	3.1
644.38525	0.5
655.42059	48.9
656.42651	1.6
673.43396	0.7
680.41083	1.3
873.24451	0.3
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
65.03934	3.5
67.05509	42.9
67.05844	1.4
69.03434	8.3
69.07074	24.2
69.07422	1.0
69.80099	0.5
69.82289	2.3
71.01293	0.5
71.04998	3.6
72.31771	0.5
77.03883	0.8
79.05499	30.9
81.03421	8.1
81.07063	44.6
83.04987	7.6
83.08624	9.0
85.02855	1.6
85.06564	4.4
85.07036	0.9
90.27856	0.5
91.05486	39.0
93.07048	30.5
94.04165	0.8
95.01307	0.6
95.04975	11.0
95.08612	16.6
97.02900	6.9
97.06548	5.4
97.10176	9.9
99.04428	1.2
99.08092	0.7
103.05444	1.2
104.93633	0.4
105.03386	0.6
105.04507	0.9
105.07034	31.4
105.17391	0.5
107.04299	0.7
107.04961	9.9
107.08603	26.8
109.02861	0.7
109.05920	0.5
109.06532	6.2
109.10166	31.6
111.04448	0.9
111.08083	3.2
113.05987	1.4
115.05430	2.0
116.06207	1.1
117.07016	8.4
119.04909	1.9
119.08585	15.3
120.05708	0.6
121.05672	0.5
121.06516	7.5
121.10147	6.8
122.35717	0.5
123.04410	1.2
123.08086	5.0
123.11732	6.7
125.08904	0.5
125.09642	5.9
127.07513	1.5
127.11237	0.6
128.06192	2.0
129.07022	4.9
130.07750	1.3
130.08623	1.0
131.08577	12.4
132.05699	0.5
133.06506	5.7
133.10138	40.4
134.07205	1.6
134.10448	0.6
135.08060	7.4
135.11719	4.4
137.09592	2.2
139.07516	0.9
142.07761	1.0
142.65697	0.5
143.07681	0.5
143.08580	6.0
145.06458	0.9
145.10120	9.0
147.08052	7.7
147.11679	4.1
149.09624	5.3
149.13202	1.7
151.11194	19.1
153.09056	1.2
153.12743	1.2
155.08536	0.7
157.10152	4.0
159.08040	1.5
159.11728	3.4
161.09647	7.0
161.13199	1.4
163.11188	2.9
165.09090	2.2
165.12807	0.6
167.08540	0.5
169.10129	1.2
169.12263	3.9
171.07962	0.7
171.11667	2.4
173.09579	1.2
173.11798	0.8
173.13264	1.4
175.11224	4.1
177.09090	1.2
177.12711	1.5
179.10638	1.6
181.10138	0.7
185.09648	0.7
185.13200	1.5
187.11160	1.1
189.11192	2.3
189.12773	1.5
193.12178	1.2
195.11787	0.9
195.13808	1.2
197.11684	0.5
199.11130	0.8
203.14291	0.6
205.12238	2.0
213.12801	0.5
213.16493	0.6
215.12759	1.9
223.13295	13.1
227.12773	4.4
227.17882	1.6
231.17540	0.6
233.15228	0.7
233.51749	0.6
236.38493	0.5
237.16490	1.1
240.93904	0.6
245.19019	4.0
249.14870	4.5
251.12787	2.4
253.14359	84.7
255.17534	2.4
261.14856	0.7
263.20102	2.9
267.15857	1.0
271.15228	0.5
273.18509	33.1
274.18884	0.5
283.15555	0.7
291.19562	100.0
292.19858	1.6
309.20566	1.6
321.21042	0.5
329.21219	1.4
347.22232	9.5
365.23248	51.4
366.23401	1.0
423.23761	1.2
543.33026	5.5
557.34784	0.7
559.32648	2.0
561.34253	19.7
561.43054	1.0
562.34406	0.6
573.34308	1.1
575.35773	1.2
597.37341	0.5
619.39905	0.7
637.30627	0.7
637.41064	10.4
644.38745	1.9
655.42072	31.9
656.41968	1.1
680.40729	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.6
67.05513	50.4
69.03420	4.9
69.07075	12.5
71.04972	3.6
71.52110	1.5
71.52600	1.4
73.06532	1.5
74.64453	1.2
77.03912	1.1
79.05497	36.8
79.48926	1.3
81.03421	8.9
81.07064	48.7
83.04980	9.6
83.08620	6.1
83.20404	1.0
84.76033	1.2
85.02899	1.6
85.06543	5.9
91.05485	50.1
93.07044	32.3
95.04984	8.5
95.08617	17.8
97.06538	5.6
99.04463	1.5
101.63048	1.2
105.07039	42.3
107.04964	7.6
107.08608	29.3
109.02904	1.2
109.06518	8.7
109.10166	37.9
111.08087	2.8
113.05960	1.6
117.07032	8.6
119.08589	13.0
121.06516	8.2
121.10161	7.2
123.08086	3.7
123.11702	7.0
127.07561	2.6
128.06248	2.3
129.07036	3.5
131.08614	9.0
133.06502	4.4
133.10141	57.4
135.08052	7.2
135.11690	6.1
137.09628	2.2
143.08533	4.5
145.06488	1.8
145.10135	7.4
147.08049	5.0
147.11662	4.8
149.09616	7.3
151.09985	1.8
151.11197	33.6
157.10103	3.8
159.11729	1.5
161.09633	7.5
161.13242	2.5
163.11151	2.6
169.12215	4.5
171.11699	3.2
175.11208	3.0
177.09105	1.8
179.10689	2.6
184.07433	1.3
185.09415	1.2
185.13243	2.0
189.12781	2.1
193.12332	1.4
195.11700	2.0
215.12773	2.9
227.17998	1.5
227.20123	1.5
245.18907	2.8
253.14375	100.0
254.14760	1.4
255.17484	2.9
263.20074	2.7
271.15356	3.7
273.15536	1.5
273.18506	31.0
291.19601	18.3
309.20474	1.5
329.21054	1.3
336.06009	1.1
347.22137	10.3
365.19064	2.2
365.23260	32.1
383.54370	1.1
421.25980	3.1
447.24475	1.3
449.25339	15.4
543.33215	8.4
561.34247	8.0
570.27802	1.3
637.40845	4.5
655.42151	19.6
675.27020	1.4
680.40314	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	850.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07085	0.2
61.72487	0.2
65.03625	0.3
65.03941	5.1
67.05476	0.8
68.05019	0.4
69.03410	0.8
69.07038	0.3
69.63792	0.7
69.64207	0.8
70.06593	20.9
71.08640	2.5
71.22620	0.3
71.94537	0.2
72.08150	0.4
74.06060	0.6
79.01853	0.3
79.05481	0.6
81.03406	0.4
81.07026	0.6
84.08140	0.6
85.02887	0.3
85.10155	0.9
86.09693	0.4
88.07630	26.8
90.18336	0.2
91.05482	0.4
93.03384	0.4
93.07020	0.5
95.04961	0.4
97.02901	0.5
102.09180	19.5
103.01839	0.4
103.05413	0.3
105.03398	0.5
107.08580	0.4
120.08122	0.2
121.02859	2.5
121.03796	0.4
124.07522	0.4
128.72136	0.3
131.04901	0.8
131.08517	0.3
133.02884	0.5
138.09140	0.3
139.03896	1.8
146.11761	0.4
146.75146	0.2
147.04411	1.5
149.02350	82.6
149.03429	6.2
150.02637	0.4
166.12260	0.3
175.03917	2.7
177.05496	1.9
184.07362	0.4
191.07013	1.5
193.04964	44.4
194.05325	0.5
212.23744	1.0
219.06543	2.3
237.07564	9.9
256.26349	60.8
257.26617	0.5
269.04373	0.6
297.04016	1.0
300.28992	0.9
310.23758	1.1
313.07098	1.0
335.25696	0.4
341.06537	3.9
343.08173	1.0
359.07608	1.9
369.10666	0.3
385.09140	7.0
411.10944	0.5
429.11899	1.5
533.10968	0.9
568.74573	0.2
577.13403	8.5
621.16034	10.6
622.16718	0.3
637.83252	0.3
640.35022	0.5
644.48956	1.0
654.94562	0.3
740.82068	0.3
806.54218	1.0
832.39478	1.7
850.40094	100.0
851.40399	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.3
61.02926	11.9
65.03938	1.9
67.05505	87.6
68.19771	0.6
69.03431	2.5
69.07068	8.0
71.05000	3.1
71.17403	0.7
71.17762	0.5
73.02911	3.9
77.64989	0.5
79.05492	18.5
81.03421	1.4
81.07057	37.7
81.24938	0.5
83.04993	1.0
83.08621	7.0
85.02904	13.7
85.06538	3.1
85.98550	0.4
86.63605	0.5
91.03954	9.7
91.05476	12.9
93.07047	25.4
95.04974	1.1
95.08605	28.6
96.04520	0.9
97.02887	6.4
97.06521	1.4
97.10181	1.8
99.04475	1.2
99.08080	1.3
103.03935	0.6
105.07035	7.4
107.08591	15.8
108.91978	0.5
109.06499	1.1
109.10157	74.1
111.08106	3.3
117.06985	2.7
119.08578	12.7
121.10141	12.3
123.08062	0.8
123.11699	2.8
125.09620	1.6
127.03917	4.3
131.08568	6.6
133.10127	5.6
135.11684	7.7
137.09651	3.7
137.13251	1.1
139.11191	0.6
143.08580	0.6
145.04980	4.0
145.10112	5.5
147.11673	4.1
149.13249	5.3
155.10666	8.2
159.11713	4.6
161.13252	3.0
163.06047	4.5
163.14772	2.9
165.06631	0.6
165.12714	0.6
173.11757	15.3
173.13268	3.6
175.14857	1.1
177.16418	0.8
180.08620	0.8
184.07463	1.0
187.14833	1.5
189.11214	1.3
201.16586	1.0
215.17889	0.5
217.52576	0.5
227.12785	6.3
229.14351	100.0
230.14597	0.8
233.22676	1.0
243.21062	6.5
261.22144	22.7
279.22995	0.7
285.95438	0.5
299.23648	0.6
317.24725	3.3
335.25803	82.3
336.26025	1.1
373.18536	0.6
379.30002	1.0
397.30984	1.8
415.32095	1.1
433.32959	0.9
471.34607	2.7
477.48370	0.6
489.35751	84.5
490.36160	1.6
507.36819	10.3
633.39819	1.2
676.30035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02948	3.3
62.05838	1.4
65.03936	3.5
67.05510	54.5
69.03429	4.3
69.07074	15.2
70.06203	6.2
71.01356	3.8
71.04983	5.0
73.02937	1.8
76.78687	1.5
79.05497	39.5
81.03418	18.8
81.07059	62.4
83.04970	6.4
83.08628	15.2
84.04494	3.0
85.02894	7.0
85.06535	4.4
91.05489	31.4
93.07050	39.3
95.01333	12.0
95.04974	15.2
95.08614	20.8
97.02887	5.8
97.06534	9.6
97.10159	5.1
98.21415	1.8
99.08085	2.1
105.03381	1.8
105.07039	14.9
107.04962	9.6
107.08605	27.2
109.02891	5.2
109.06510	4.1
109.10170	10.4
111.04437	3.8
111.08092	6.5
115.05435	4.0
117.07027	13.6
119.04937	4.9
119.08588	13.6
121.02886	2.8
121.06505	9.5
121.10140	16.6
123.04432	5.6
123.08079	2.7
123.11698	3.3
125.02372	3.0
125.06013	2.1
125.09618	1.8
127.03924	3.2
128.06171	1.7
129.07036	11.5
131.04956	4.1
131.08556	15.0
133.06508	5.5
133.10123	13.5
135.04414	8.0
135.08052	6.5
135.11713	8.1
137.05983	2.5
137.09665	1.8
139.03914	3.1
139.11237	1.9
141.01837	3.4
141.07022	2.5
143.08568	5.3
145.06473	5.5
145.10129	5.3
147.04422	11.6
147.08006	4.2
147.11710	7.9
149.02298	1.9
149.05991	3.9
149.09637	2.6
149.13258	20.3
151.03889	10.6
151.11156	2.3
154.07684	1.8
155.08577	1.9
157.10146	6.0
159.04338	2.7
159.08018	3.0
159.11687	13.6
161.06010	3.9
161.09610	4.2
161.13324	1.7
163.03926	5.4
163.07549	2.2
163.11185	3.1
165.05469	1.9
165.07016	1.6
167.03484	1.6
167.08537	1.7
167.14265	1.6
169.04958	5.2
169.06367	2.0
169.10120	2.7
171.11687	4.1
173.05989	2.5
173.11800	3.2
173.13280	2.0
175.03943	9.7
175.11201	5.9
177.05615	1.6
177.12781	8.0
179.03452	2.1
185.09706	3.4
187.03943	1.9
187.11177	4.6
189.01752	2.2
189.05487	4.3
189.12761	2.0
191.03407	3.3
193.12262	8.5
195.11871	1.6
195.13814	6.7
197.09645	2.2
199.11200	3.8
203.03429	1.8
205.12262	3.7
207.13805	3.7
211.13330	3.7
213.12791	2.0
213.14740	2.0
215.10652	4.0
217.05040	2.3
217.12239	3.5
220.16727	1.6
223.11263	2.7
225.09167	2.1
227.10799	3.9
233.11635	3.1
235.13103	2.2
239.12811	2.0
241.12344	4.3
243.10167	4.4
245.11783	3.1
255.10349	2.2
259.13312	2.8
261.11224	3.2
261.14822	1.9
267.15952	13.0
269.11646	7.1
269.17484	77.4
270.17874	1.9
271.13269	3.0
287.12820	19.5
289.14285	4.3
297.11166	2.8
305.13763	5.2
315.12262	9.0
333.13446	13.5
351.14413	16.4
369.15134	1.8
389.15942	2.2
407.16983	24.8
421.25739	1.9
423.90009	1.6
425.18082	19.0
427.19653	2.5
435.27246	2.1
443.19019	9.3
461.29037	13.7
493.28152	5.1
541.27283	2.0
559.28778	3.0
559.36658	2.4
583.28522	4.0
601.30121	100.0
602.30328	2.7
619.31146	75.4
620.31287	2.1
637.32208	89.4
638.32153	2.5
655.33087	3.8
690.42102	2.0
763.34894	2.8
781.36255	3.7
816.21765	2.0
817.86621	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.0
61.02929	9.4
61.44568	0.4
63.47029	0.3
65.03931	1.9
67.05505	84.7
67.45235	0.3
69.03433	1.9
69.06728	0.7
69.07069	6.9
71.05003	2.9
71.16872	0.5
73.02912	3.7
77.03915	0.4
79.05490	15.8
81.03419	1.3
81.07055	29.1
83.04984	1.0
83.08618	6.5
85.02905	12.7
85.06538	2.4
87.04488	0.5
91.03956	7.6
91.04891	0.5
91.05478	10.6
93.07043	20.1
95.04971	1.1
95.08607	22.5
96.04489	0.6
97.02287	0.6
97.02888	7.0
97.06528	1.7
97.10163	2.0
99.04464	1.0
99.08101	1.3
101.02388	0.3
105.07030	5.8
107.04911	0.4
107.08593	12.0
108.77619	0.3
109.02869	0.4
109.06535	1.0
109.10156	70.8
110.10488	0.6
111.08078	3.2
111.11704	0.4
113.09581	0.3
117.07018	2.8
119.07712	0.3
119.08582	9.6
121.10145	9.7
121.11041	0.5
123.08117	0.6
123.11696	3.1
125.09632	1.1
127.03911	3.4
127.11185	0.6
129.05545	0.3
129.06993	0.3
131.08563	3.8
133.10133	4.1
135.11700	6.7
137.09601	3.6
137.13268	1.1
139.11229	0.5
143.08548	0.5
145.04959	4.1
145.10146	3.9
147.11688	3.7
148.75816	0.3
149.09651	0.5
149.13271	4.7
151.11102	0.4
153.12585	0.3
155.10658	6.6
159.11688	3.0
161.13249	2.0
163.06029	5.0
163.14795	3.1
171.11681	0.5
173.11763	17.4
173.13260	2.8
175.14830	1.0
177.16351	0.6
185.13316	0.4
187.14799	1.8
189.11240	0.9
189.16530	0.5
192.46284	0.4
201.16403	0.5
213.14815	0.5
227.12758	7.7
229.14346	100.0
230.14709	1.0
233.22752	0.4
243.21098	4.7
261.22128	17.4
299.15112	0.3
299.23602	0.5
317.24667	2.8
335.25797	66.1
336.26346	0.8
379.29959	0.9
397.31104	2.3
415.32449	1.5
433.33084	0.6
449.32568	0.4
471.34900	2.0
489.35742	51.1
490.35858	1.2
507.36841	8.8
633.39587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95951	0.7
60.08168	1.3
61.02938	5.4
62.63481	0.6
67.05515	6.0
69.03445	3.4
69.07081	1.6
71.07398	0.7
73.02912	3.1
79.05518	4.0
81.03424	1.8
81.07068	5.9
83.08600	1.2
85.02911	5.1
86.09717	6.5
91.03950	3.2
91.05483	2.9
93.07044	4.9
95.04996	0.8
95.08606	3.6
97.02897	5.2
97.06523	1.2
98.98488	1.3
99.04491	1.1
101.02391	1.7
105.07056	1.7
107.08577	1.7
109.10210	1.4
117.07040	1.2
119.08585	1.2
121.10149	1.1
125.00020	4.0
127.03936	1.2
131.08557	1.5
135.11710	1.2
137.05820	0.8
184.07373	21.3
185.07759	2.6
189.30283	0.6
243.08459	1.4
319.18756	0.9
349.19907	8.3
349.23813	0.9
439.19577	0.9
465.03699	0.8
519.29199	4.6
532.41711	0.8
567.27930	2.0
845.50232	100.0
846.50464	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
64.23868	0.6
65.03965	0.7
67.05504	4.8
69.03437	2.0
69.07066	1.7
71.04989	1.3
71.26052	1.1
73.02920	2.7
79.05501	5.6
81.03420	2.1
81.07066	4.5
83.04967	0.6
83.08606	1.0
85.02906	3.1
86.09724	1.2
91.03945	2.0
91.05491	3.6
93.07027	5.6
95.04984	0.6
95.08616	2.7
97.02874	2.9
97.10173	0.6
99.04478	1.1
101.02389	2.0
105.07056	3.4
107.08575	3.4
109.06516	0.7
109.10162	1.3
117.07024	1.2
119.08581	2.3
121.10177	1.9
127.03868	1.1
127.36512	0.6
131.08589	1.1
133.10127	1.7
134.61795	0.5
135.11723	1.2
143.08609	0.7
145.10179	1.0
147.11729	0.9
149.13258	0.6
159.11703	1.3
184.07338	3.4
201.03792	0.9
203.05338	0.9
243.08417	3.4
257.23654	0.6
286.21896	0.6
286.42230	0.7
301.09064	1.1
315.10580	0.9
330.20828	2.5
331.21094	1.8
333.20435	2.9
350.60379	0.7
366.48581	0.7
429.17413	0.7
431.05240	0.6
439.19434	1.6
453.21390	1.1
469.19986	0.7
535.28784	5.7
551.28363	5.9
623.30396	0.7
683.46600	1.8
845.50220	100.0
846.50293	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	845.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.8
61.79255	2.9
65.03934	8.2
67.05183	5.2
67.05512	76.0
67.67506	2.6
69.03439	33.3
69.07074	23.8
71.04984	11.4
71.52608	4.0
73.02901	3.4
79.05505	65.9
81.02992	5.9
81.03426	72.7
81.07066	57.3
83.05002	20.4
83.08630	17.5
85.02926	15.9
85.06548	5.0
86.09703	22.2
91.04980	5.1
91.05493	69.0
93.07056	61.7
95.01330	12.5
95.04979	18.9
95.08157	3.1
95.08632	37.7
97.02895	30.6
97.06550	4.0
97.10175	17.2
99.04459	12.4
103.03965	3.8
105.04494	4.4
105.05163	3.3
105.07046	48.3
107.04967	15.7
107.08610	39.9
109.02911	20.6
109.06515	9.0
109.10181	21.7
111.04438	4.8
111.08096	5.4
113.02409	5.5
115.05466	7.5
117.07035	25.4
119.04974	4.5
119.08590	40.3
121.02840	4.4
121.06498	7.1
121.10178	27.3
123.04420	12.8
123.08084	7.4
124.99989	14.1
125.02334	4.7
125.09650	16.9
127.03921	21.9
128.06259	8.2
129.05505	6.6
129.07043	20.6
130.07713	2.8
131.04910	6.6
131.08571	32.3
131.19257	2.9
133.06491	10.8
133.10139	23.8
135.04424	10.4
135.08076	9.7
135.11693	15.0
136.06198	5.2
137.05983	5.8
139.03897	7.0
141.07001	12.2
142.07809	6.7
143.08551	18.6
145.06464	9.7
145.10115	28.5
147.04420	13.1
147.08038	4.8
147.11697	15.3
149.02353	6.0
149.05949	6.0
149.13251	10.3
151.03915	8.7
151.07584	3.7
155.08586	18.6
157.06569	6.0
157.10138	16.0
159.04396	4.3
159.08040	8.5
159.11722	18.6
161.06012	8.5
161.09641	5.1
161.13293	10.8
163.03934	25.9
163.11151	4.4
165.05530	6.1
165.06995	3.7
167.03401	4.5
167.08589	11.6
169.06499	5.5
169.10181	16.4
171.08078	8.9
171.11685	15.8
173.04462	22.0
173.09648	4.8
173.13266	10.6
175.03922	11.5
175.11136	3.8
175.14752	4.4
177.05489	8.5
179.08546	6.7
181.10114	9.3
183.08064	6.1
183.11711	9.1
184.07358	62.5
185.06108	3.9
185.07777	4.6
185.09569	5.6
185.13269	11.5
187.03938	5.9
187.11140	8.8
187.14767	3.5
189.05460	11.9
189.09183	5.4
191.03467	3.8
193.10185	4.1
194.07349	3.5
195.08029	9.8
195.11752	9.2
197.09732	7.1
197.13336	6.7
199.03920	6.5
199.07573	5.8
199.11148	8.9
199.14909	5.7
201.05489	5.7
201.09082	3.8
203.10785	6.0
205.04933	8.9
207.11722	6.9
209.09676	5.1
209.13235	6.2
211.07561	4.2
211.11195	5.3
213.05609	4.3
213.09064	7.7
213.12801	4.1
215.10713	3.5
217.05035	4.6
217.08461	4.3
221.09711	3.8
221.13408	5.6
223.11151	4.5
223.14786	4.5
225.16342	3.0
227.10704	6.3
227.12701	7.8
229.12077	4.6
231.10132	7.2
237.09070	3.6
237.12721	4.0
239.10719	4.4
241.12257	5.1
243.10187	4.2
251.05371	5.1
251.14104	3.6
252.12675	3.3
253.08508	4.1
255.10118	5.4
257.11649	5.0
259.20633	11.7
261.22113	5.1
263.14050	3.4
267.10306	3.4
273.11270	6.2
275.12851	7.1
285.11316	5.9
287.16739	4.1
301.21854	3.9
303.12213	18.1
305.13834	4.1
313.10660	4.4
315.23239	3.5
321.13345	12.9
331.11765	5.9
333.24457	8.5
335.25797	18.5
339.14609	3.7
349.12756	14.8
351.14496	6.5
367.14093	5.7
367.22766	6.7
369.24304	7.0
375.14175	3.6
411.25577	5.7
421.24384	4.5
423.16403	13.2
425.18280	4.3
461.29004	3.5
479.30051	4.8
527.31647	4.9
533.41510	3.4
545.32599	4.4
563.33392	5.5
565.34540	5.8
569.21954	3.7
573.31970	4.9
581.34216	8.7
583.36310	3.2
591.33215	10.5
609.34015	12.8
619.35852	7.3
627.34961	4.5
635.35590	6.7
637.36896	4.8
647.36029	7.0
655.38733	9.5
665.37024	29.0
668.69476	3.7
673.38715	4.4
683.37897	100.0
701.38440	15.7
791.39740	9.5
809.40631	7.1
827.41974	20.3
845.42096	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
67.01850	0.3
67.05501	1.1
68.61539	0.3
68.99765	0.3
69.03435	2.9
69.07082	1.6
71.01371	0.4
71.04601	0.5
71.04999	9.1
71.19098	0.5
72.03398	0.3
73.02917	0.8
75.04489	0.7
79.05471	1.0
81.03421	1.6
81.07047	0.7
83.01347	0.5
83.04993	2.1
83.08617	0.8
85.02911	18.3
87.04462	0.4
91.05488	3.1
93.07059	2.7
95.04950	0.8
95.08614	1.5
97.02887	3.2
99.04456	0.5
99.37905	0.3
105.07034	4.9
107.08614	4.5
109.02882	0.8
109.10168	1.9
111.04444	0.6
113.02344	0.5
117.07043	1.0
117.54536	0.4
119.04896	0.5
119.08594	10.3
121.10159	3.9
123.04441	2.5
123.11715	0.6
127.03918	1.5
129.05513	2.5
129.07011	0.4
131.08585	4.7
133.10138	11.0
135.04462	0.5
135.08089	0.7
135.10692	0.8
135.11702	13.0
135.12727	0.7
137.02362	0.4
137.09622	0.7
143.08574	1.0
145.04935	1.6
145.10138	2.0
147.04413	1.3
147.06534	1.0
147.11693	65.4
148.12071	0.7
149.02373	0.5
149.09526	0.4
149.13254	1.0
151.03906	3.6
155.03409	1.5
157.10147	0.4
158.10930	1.9
159.08032	0.5
159.11743	2.0
161.13263	8.2
163.03906	0.8
163.14876	1.1
165.01797	1.0
165.05424	0.4
167.03401	1.2
167.08534	0.4
169.04980	7.7
172.71689	0.4
173.06020	0.4
173.13275	10.2
174.14020	1.0
175.03859	0.5
175.14799	0.4
179.03403	10.5
181.04985	1.3
183.02879	2.4
185.04585	1.8
185.09731	0.4
187.03940	0.4
189.05367	0.4
191.14336	3.0
193.04976	2.5
195.02898	0.4
195.06558	0.5
195.08133	0.5
197.04463	37.8
199.07561	0.8
199.11142	0.5
203.03450	4.2
205.05009	0.9
207.06548	0.6
209.04410	0.7
209.09628	0.8
211.06015	12.8
213.03935	0.7
213.09029	0.8
217.04875	2.2
219.06375	0.5
221.04463	12.6
223.05954	3.9
223.11098	0.5
227.10706	0.6
231.06564	1.0
235.06020	6.2
237.07506	1.2
237.09384	0.8
240.07733	0.6
241.08612	2.6
245.08113	0.5
249.07593	2.5
251.06929	0.4
255.10202	1.4
255.13657	0.3
257.08026	0.5
259.06076	0.4
259.09647	0.7
263.09149	2.5
265.08594	1.5
265.11111	0.4
269.08157	1.4
271.09708	0.6
273.07581	0.9
275.09253	0.8
277.07498	0.4
283.09665	7.5
285.11038	0.6
286.08353	0.4
287.09189	4.3
288.10034	0.6
289.10739	2.6
297.11105	1.0
301.10709	16.0
302.11465	1.3
303.12051	0.8
314.11334	0.4
315.12250	3.6
315.15643	0.7
319.11798	0.7
327.12302	0.6
339.16083	2.0
357.16974	98.8
358.17416	1.7
373.11270	1.6
375.18042	100.0
376.18182	1.6
519.22302	7.5
537.23328	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	843.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02947	3.3
67.05515	5.2
69.03448	3.1
69.07074	3.4
71.01366	0.5
73.02930	2.9
77.97400	0.5
79.05506	4.7
81.03432	2.1
81.07071	5.7
83.05003	1.4
83.08624	1.4
85.02919	3.6
86.09718	1.7
86.66560	0.6
91.03989	2.1
91.05489	4.4
93.07052	4.7
93.07458	0.4
95.01399	0.7
95.04977	1.5
95.08614	3.9
96.27968	0.6
97.02901	3.5
97.06546	0.7
97.10171	1.0
101.02399	0.7
105.07053	4.2
107.04986	1.2
107.08623	2.3
109.06572	0.8
109.10187	1.4
117.07064	1.2
119.08607	3.3
121.10233	0.9
125.00059	1.0
125.19082	0.5
127.03899	0.8
131.08626	1.7
133.10172	2.6
135.08084	0.8
135.11726	1.6
145.10167	1.6
147.11731	1.1
149.09613	1.2
149.13278	1.0
153.97949	0.5
159.11787	0.8
161.13322	0.5
163.11377	0.6
167.27486	0.6
171.50014	0.5
179.14371	0.7
184.07413	4.8
185.04233	0.7
203.06937	0.5
243.08557	3.2
315.19492	4.0
333.20493	1.8
335.26169	0.6
371.22345	1.4
439.19717	0.8
453.20923	1.2
533.27301	11.0
540.74420	0.5
551.28381	6.7
681.44189	0.7
843.48730	100.0
844.49182	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	842.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	2.5
59.09492	1.2
60.08149	1.6
65.03937	2.9
67.05508	100.0
69.03429	3.5
69.07076	20.8
70.06618	2.5
71.05001	4.5
71.08641	1.6
71.27561	2.5
78.08624	1.3
79.05499	49.4
81.03423	3.3
81.07064	73.4
83.05000	4.9
83.08624	18.3
85.02922	2.2
85.06548	3.8
85.96717	1.2
86.09714	6.7
91.05492	37.9
93.07050	55.8
95.04988	5.0
95.08614	49.7
97.02895	2.5
97.06548	7.0
97.10175	9.7
97.16339	1.3
99.08121	1.6
105.07040	26.4
107.04980	4.6
107.08599	46.1
107.09306	2.9
109.06546	5.8
109.10167	61.5
110.46210	1.2
111.08093	3.8
113.05939	1.4
116.07101	3.1
117.07034	7.6
119.08591	25.3
121.06497	2.8
121.10158	24.3
121.89840	1.4
123.08112	3.3
123.11691	9.6
125.00038	4.5
125.09633	7.1
129.07024	4.9
131.08595	16.3
131.09547	2.0
133.10127	17.9
135.08054	3.0
135.11688	15.0
137.09634	3.4
137.13271	2.5
139.11223	2.1
143.08563	3.9
145.10136	12.8
147.08064	1.6
147.11705	12.6
149.09587	6.9
149.13297	12.1
151.11191	1.6
155.10701	3.2
157.10168	2.1
159.11700	12.8
161.13342	6.8
163.11244	3.2
163.14905	2.0
171.11758	3.2
173.11778	11.7
173.13338	7.9
175.14938	2.1
177.12759	2.2
179.14313	1.4
181.16074	1.3
183.11813	2.0
184.07350	21.5
185.13319	2.0
187.11137	1.4
187.14874	2.9
189.11279	3.8
195.13713	1.7
197.13348	1.7
201.16501	1.4
227.12805	14.5
228.13097	1.6
229.14363	53.2
239.17999	1.7
243.21158	3.5
257.19043	4.9
259.20660	1.8
261.22131	17.8
269.17502	18.5
269.20273	2.2
275.20078	27.2
293.21234	4.2
317.24731	3.0
333.24496	2.2
335.25827	96.3
336.26208	2.1
349.23758	22.4
367.24829	20.9
396.55576	1.6
431.31561	1.4
454.00192	1.6
471.34613	2.1
489.35773	36.4
507.36682	6.1
515.37848	2.1
529.38861	36.7
569.41974	4.1
609.45154	33.7
610.46088	2.1
627.46240	28.6
842.49316	2.0
843.48199	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.1
65.03944	6.4
66.55401	1.9
67.05511	95.4
69.03439	13.8
69.06729	3.2
69.07078	42.0
70.06595	6.4
70.96617	3.1
71.04991	7.7
71.08624	2.1
72.08176	3.2
72.61327	2.3
77.03941	3.1
79.05501	88.4
81.03426	13.0
81.07063	100.0
83.04996	13.7
83.08628	19.9
85.02914	7.3
85.06528	4.1
86.09709	5.9
88.25034	1.8
91.04903	2.7
91.05489	89.0
93.07052	90.4
95.04974	14.1
95.08618	60.2
97.02910	8.3
97.06541	14.9
97.10158	13.7
99.08096	5.0
101.60084	2.2
103.05464	3.2
105.04553	3.8
105.07041	80.1
107.04955	11.2
107.08607	58.7
109.02928	3.0
109.06520	8.1
109.10157	26.8
111.08057	9.1
113.09663	2.7
115.05492	4.9
116.06345	1.9
116.07117	8.6
117.07033	33.7
119.08600	69.8
121.06526	5.8
121.10167	32.5
123.08105	6.4
123.11707	8.2
125.00020	2.6
125.09642	8.1
127.03967	2.7
128.06245	5.9
129.05542	3.3
129.07018	24.6
130.07825	1.8
131.08580	44.4
133.06520	4.3
133.10147	55.6
135.08081	6.2
135.11694	31.0
137.09654	4.9
141.06989	10.3
142.07761	4.0
143.08560	21.2
145.06502	2.3
145.10135	43.6
147.08080	3.1
147.11700	34.4
149.09619	10.9
149.13269	11.2
151.11195	4.2
155.08551	12.0
157.10144	22.7
159.08179	2.4
159.11710	33.0
161.09686	3.7
161.13271	20.0
163.11197	9.6
163.14903	3.3
165.12811	2.1
167.08592	4.0
168.09361	2.5
169.10135	12.6
171.11716	19.9
173.04527	2.6
173.09554	1.8
173.13251	17.2
175.11203	2.8
175.14830	8.8
177.12854	3.4
181.10156	8.3
183.11682	13.4
184.07387	11.6
185.13272	13.9
187.11227	2.2
187.14851	6.8
189.12750	2.1
189.16345	2.5
193.10123	4.5
195.11760	7.2
195.13692	2.0
197.13258	7.6
199.14833	9.4
201.12642	2.0
201.16383	4.0
207.11716	2.7
209.13280	4.0
211.14746	4.6
213.16431	3.1
215.17949	3.5
217.15930	3.9
221.13210	2.7
223.14850	4.6
225.16351	2.8
227.12872	5.1
227.17880	2.8
229.14432	3.6
231.21101	3.9
237.16388	4.9
239.17982	5.2
241.19608	17.9
243.21071	2.3
253.14319	3.0
255.15894	10.8
257.19049	7.0
259.20633	43.8
261.22211	3.9
267.15829	3.2
269.17404	12.4
271.16800	2.2
275.20099	24.5
276.20404	3.3
277.21600	4.0
291.19522	4.7
297.22144	2.3
315.23102	7.1
321.22433	2.6
331.22812	3.3
333.24277	48.1
335.25861	8.2
337.25360	2.1
341.24780	2.0
349.23932	13.4
351.24854	2.0
365.28479	2.5
367.24954	6.6
417.31461	2.4
421.31290	3.6
435.32437	6.4
453.33560	5.7
495.34592	3.6
501.35825	2.5
509.36182	2.6
510.08530	2.0
513.35742	22.6
515.37982	7.1
517.38751	2.6
527.37396	46.4
531.36688	3.3
533.39948	5.8
543.36456	2.7
545.38251	8.0
551.41003	3.6
561.37268	2.5
597.45123	3.2
607.43646	40.7
625.44659	37.1
643.45569	4.6
671.41638	2.9
681.42078	3.6
689.42059	3.9
758.63220	2.2
769.48810	2.6
829.42810	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77168	1.4
61.02917	6.8
63.57691	1.4
64.77267	1.4
65.03931	5.1
67.05510	96.1
69.03424	15.9
69.07075	47.6
71.05001	18.1
73.02901	4.9
75.07861	1.4
77.12622	1.4
79.05498	79.9
81.03422	20.3
81.07063	96.3
83.04977	13.3
83.08627	15.9
85.02908	8.3
85.06541	4.1
87.04432	2.3
91.03971	2.0
91.05484	55.9
93.07049	85.8
95.04947	15.1
95.08611	59.2
96.08954	1.7
97.02892	10.0
97.06536	65.0
97.10159	5.0
99.04431	4.5
99.08092	5.2
103.05441	2.5
105.04527	2.6
105.07037	41.6
106.13181	1.5
107.04958	8.4
107.08595	40.0
109.02880	4.6
109.06517	22.6
109.09454	2.8
109.10158	28.1
111.04443	2.5
111.08060	7.6
113.05927	1.8
115.05434	2.2
115.07568	23.9
116.07070	2.2
117.07021	22.5
119.08581	29.1
120.61780	1.5
121.06485	6.5
121.10157	33.1
123.08070	5.6
123.11726	6.0
125.09624	3.2
127.03932	7.4
128.06218	2.0
129.05502	1.9
129.07013	11.8
131.08574	26.0
133.06465	4.1
133.10139	23.5
135.08080	13.6
135.11697	18.5
137.09564	3.5
141.07011	3.8
142.07823	2.0
143.08585	10.1
145.06485	2.3
145.10143	19.2
147.08035	7.1
147.11699	12.4
149.09650	8.8
149.13246	10.4
151.11150	4.0
153.09030	1.8
155.08537	3.2
157.10127	9.1
159.08115	3.5
159.11690	14.5
161.09563	8.3
161.13261	7.5
163.11180	5.2
163.14841	4.1
165.09027	2.4
165.12799	3.0
169.10149	3.5
171.11703	5.2
173.04434	5.9
173.09535	3.3
173.13290	7.1
175.11234	6.0
177.12766	3.1
184.07314	3.8
185.13300	3.0
187.11197	2.4
187.14877	3.9
189.11227	2.1
189.12781	2.9
189.16277	2.2
191.14328	2.1
193.12369	1.8
195.11806	2.4
195.13774	2.9
197.06685	1.5
197.13277	2.3
199.14876	3.3
201.07559	2.4
207.13818	1.7
217.15924	8.6
221.15277	2.0
227.12790	2.6
227.18076	2.3
229.14268	2.1
229.25479	2.2
233.15282	3.1
237.16370	1.9
243.21126	3.2
245.19005	3.9
253.14331	4.6
255.17622	3.6
259.20709	3.6
261.22174	9.6
263.20090	1.8
267.15994	5.9
269.17505	12.0
273.18497	32.9
275.20276	2.7
291.19531	15.3
307.19006	2.3
317.24808	1.7
329.21283	1.8
333.24139	2.9
335.25809	100.0
336.26114	2.9
347.22144	14.3
365.23294	16.7
383.24402	4.0
515.37146	3.0
527.37372	2.1
529.38959	26.9
531.37708	2.0
545.37994	3.3
557.38513	3.1
567.40509	2.6
607.43787	9.2
625.44550	34.6
643.45569	15.5
711.58710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.4
65.03938	0.7
67.05492	0.4
69.03432	1.5
70.06597	0.4
71.04974	0.4
71.53340	0.2
74.45469	0.2
76.66398	0.1
79.05476	0.2
81.03423	3.2
81.07063	0.5
84.04488	0.3
84.08120	0.3
85.02912	3.1
85.58597	0.2
86.09711	0.4
86.84135	0.2
91.05486	6.0
93.07051	0.4
95.04971	0.5
97.02892	1.0
99.04436	0.2
102.74963	0.2
107.04960	0.2
109.02881	1.5
119.04949	15.9
121.02892	0.3
121.06653	0.2
121.10181	0.3
123.04448	0.8
127.03903	0.8
130.05000	0.2
139.03906	0.5
145.02850	0.3
145.04930	0.4
147.04416	100.0
148.04779	1.0
148.05798	0.2
149.02353	0.9
163.03938	0.3
165.05486	5.6
167.03398	3.4
167.07014	0.3
173.02354	0.3
177.05336	0.2
185.04460	18.5
191.03426	0.2
193.01335	0.2
195.02847	0.2
209.04491	0.3
211.02350	0.7
219.02977	0.6
237.03961	1.5
267.15970	0.3
289.07028	2.3
291.08643	3.2
303.08594	0.3
309.09692	7.1
331.08093	1.5
347.09830	0.9
385.17520	0.2
451.12463	0.3
461.28934	0.2
493.13565	0.2
659.26807	0.2
741.85938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.4
65.03938	0.7
67.05492	0.4
69.03432	1.5
70.06597	0.4
71.04974	0.4
71.53340	0.2
74.45469	0.2
76.66398	0.1
79.05476	0.2
81.03423	3.2
81.07063	0.5
84.04488	0.3
84.08120	0.3
85.02912	3.1
85.58597	0.2
86.09711	0.4
86.84135	0.2
91.05486	6.0
93.07051	0.4
95.04971	0.5
97.02892	1.0
99.04436	0.2
102.74963	0.2
107.04960	0.2
109.02881	1.5
119.04949	15.9
121.02892	0.3
121.06653	0.2
121.10181	0.3
123.04448	0.8
127.03903	0.8
130.05000	0.2
139.03906	0.5
145.02850	0.3
145.04930	0.4
147.04416	100.0
148.04779	1.0
148.05798	0.2
149.02353	0.9
163.03938	0.3
165.05486	5.6
167.03398	3.4
167.07014	0.3
173.02354	0.3
177.05336	0.2
185.04460	18.5
191.03426	0.2
193.01335	0.2
195.02847	0.2
209.04491	0.3
211.02350	0.7
219.02977	0.6
237.03961	1.5
267.15970	0.3
289.07028	2.3
291.08643	3.2
303.08594	0.3
309.09692	7.1
331.08093	1.5
347.09830	0.9
385.17520	0.2
451.12463	0.3
461.28934	0.2
493.13565	0.2
659.26807	0.2
741.85938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	31.8
65.03944	2.3
67.05508	71.7
69.03408	3.4
69.07077	11.8
71.04984	2.3
71.08626	1.8
71.52373	2.8
73.02918	15.2
79.05493	36.2
81.03426	10.8
81.07061	71.2
83.04932	1.9
83.08608	6.0
85.02911	46.2
85.06541	2.3
85.21717	1.4
91.03427	1.7
91.03957	41.7
91.05486	21.9
93.07047	48.2
95.04992	4.5
95.08611	57.5
96.38869	1.8
97.02908	19.5
97.06516	4.0
97.10153	4.7
97.28400	1.7
99.04438	5.0
103.03925	1.9
105.07032	17.1
107.04906	1.9
107.08598	36.4
109.06592	2.1
109.10166	37.7
111.08041	4.1
117.05531	1.9
117.07001	6.1
119.08588	15.9
121.10147	27.2
123.11738	17.8
125.09620	3.6
127.03268	1.6
127.03937	18.2
129.07022	2.4
131.08578	16.5
133.10139	15.7
135.11684	29.8
137.09596	2.2
137.13248	4.7
140.57793	1.5
145.04968	24.9
145.10141	15.7
147.11710	10.8
149.02301	2.4
149.13263	19.9
151.14795	2.5
159.11670	14.3
161.13318	8.8
163.06017	47.2
163.07382	2.2
163.11122	2.2
163.14798	12.9
173.12022	2.1
173.13266	12.4
175.14850	2.7
177.16408	6.9
179.14311	3.7
187.14832	7.4
189.16342	2.2
193.12202	2.0
201.16440	2.9
205.15849	2.6
210.56468	1.7
229.14439	3.1
233.22708	4.2
243.21097	31.0
261.22162	100.0
267.15891	2.7
268.16153	2.5
279.23169	3.0
303.35483	1.7
317.24722	1.7
325.11124	2.3
330.05881	1.8
335.25815	36.7
348.85107	1.9
353.16623	1.8
353.26862	60.9
395.67624	2.1
400.60843	1.8
422.26315	2.3
477.28458	2.3
497.30896	12.3
839.38831	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90577	1.0
60.04775	1.1
65.03926	3.1
67.05506	61.4
69.03436	5.2
69.07068	43.6
69.96082	0.9
71.04995	5.0
71.08600	1.2
73.02876	1.5
73.06551	1.2
77.03960	1.2
79.05492	52.7
81.03422	11.9
81.07058	78.3
83.04984	12.8
83.08213	1.3
83.08623	13.9
85.02887	1.8
85.06519	3.0
87.04469	6.6
91.05482	70.2
93.07043	57.3
95.01344	9.2
95.04973	14.1
95.08607	43.5
97.02902	2.6
97.06535	33.2
97.10149	5.7
99.08083	2.4
103.05453	2.9
105.04528	2.0
105.07032	88.1
107.04950	16.9
107.08594	31.1
109.02848	1.8
109.06530	7.5
109.10162	13.7
111.04436	1.8
111.08075	4.7
113.09653	1.7
115.05434	1.5
117.06239	1.7
117.07026	23.5
119.04932	1.2
119.08584	45.9
121.06534	5.9
121.10148	15.7
123.04427	2.4
123.08039	6.9
123.11675	2.8
125.09644	5.0
127.03923	1.4
129.06996	4.6
131.08572	34.0
133.06496	1.5
133.10130	49.8
135.08073	5.2
135.11691	13.9
137.09610	2.6
139.07552	1.9
139.11154	1.1
141.07005	3.2
143.08554	7.0
145.06447	2.2
145.10123	24.4
147.07990	1.4
147.11705	18.4
149.09621	13.0
149.13261	9.7
151.11131	2.8
155.08481	2.5
157.10149	5.8
159.08020	1.1
159.11688	19.0
161.09630	2.0
161.13292	7.3
163.11182	9.6
165.09142	2.1
165.12717	1.6
169.10141	2.9
171.11647	3.6
173.04485	1.4
173.09534	1.2
173.13277	5.6
175.11160	2.2
175.14723	1.3
177.12766	5.8
179.14328	13.2
183.11684	4.3
184.07339	1.5
185.13213	1.1
187.11128	3.1
187.14888	2.2
195.13763	2.5
197.13310	2.6
199.14836	1.2
211.14938	1.6
215.17842	1.2
219.17360	6.3
227.12804	4.5
229.19475	2.9
229.34018	1.3
239.17963	3.6
247.20576	2.7
251.16389	3.0
255.15826	10.1
257.18970	12.7
267.15945	2.0
269.17493	22.1
273.18668	1.2
275.20065	93.3
279.15973	2.5
293.21103	4.9
298.62085	1.1
331.22656	1.9
349.23718	65.1
350.24127	1.6
367.24728	4.6
413.21786	1.7
493.68042	1.2
503.33347	2.7
519.33173	1.6
527.37115	1.5
529.35266	31.4
543.36829	100.0
544.36951	2.7
583.39771	2.2
595.43622	1.4
605.41785	2.5
623.43073	51.1
641.44049	10.8
687.41608	5.0
838.40546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23383	0.8
65.03945	2.8
67.05512	48.8
67.09918	0.8
69.03431	3.6
69.07079	31.3
69.82559	0.7
70.91755	2.0
71.04983	3.5
79.05503	40.2
79.78471	0.8
80.05792	0.7
81.03425	10.2
81.07066	59.6
83.04977	8.1
83.08628	10.6
84.04462	0.8
85.02895	1.4
85.06540	3.7
87.04469	4.3
91.05492	51.8
93.07054	44.9
95.01336	7.4
95.04982	8.9
95.08615	33.5
95.35238	0.9
97.02876	1.6
97.06547	24.5
97.10175	5.4
99.08099	2.1
103.05489	1.8
105.04513	1.6
105.07044	65.4
107.04965	13.8
107.08601	22.9
107.09310	1.4
109.02873	1.1
109.06544	6.1
109.10177	9.8
111.08087	5.1
115.05439	2.0
117.07037	17.0
119.08594	39.4
121.06545	4.6
121.10144	12.5
123.04412	2.1
123.08080	3.2
123.11703	3.6
125.09642	4.3
128.06189	1.5
129.07025	5.1
130.07799	1.2
131.08578	24.9
133.06514	1.4
133.10144	38.5
135.08058	4.6
135.11700	9.8
137.09624	3.0
139.07550	1.3
141.06972	3.1
143.08583	4.3
145.06500	2.6
145.10143	18.5
147.08063	1.6
147.11717	15.7
149.09657	9.9
149.13232	5.8
151.11218	2.9
155.08577	2.5
157.10190	4.5
157.66148	1.0
159.08061	1.6
159.10641	1.2
159.11755	12.7
161.09706	1.1
161.13260	7.5
162.95041	1.0
163.11218	6.4
165.09102	1.8
165.12791	1.4
165.16362	0.8
169.10147	3.0
171.11690	3.3
173.09677	1.5
173.13293	3.8
175.11224	1.2
175.14816	1.3
177.12761	4.6
177.23383	0.9
179.14323	12.2
183.11751	2.1
184.07350	2.0
185.13203	1.7
187.11197	2.6
187.14874	1.0
189.11230	0.9
189.12749	1.0
189.16481	1.0
195.13795	1.6
197.13249	2.7
203.14397	1.0
213.16461	1.0
215.14516	1.0
215.17999	1.1
216.41112	0.8
219.17508	1.6
223.13286	1.1
227.12842	2.7
229.19467	1.8
239.18086	2.1
241.19521	1.3
247.20609	2.5
251.16382	1.3
253.14391	1.2
255.15863	4.2
257.19019	8.7
259.20636	2.3
262.41864	0.8
269.17496	18.5
273.18539	1.4
275.20096	69.8
277.21661	1.1
279.15878	1.9
291.19574	7.6
293.21097	4.5
331.22952	1.2
333.24219	2.7
349.23779	41.9
350.24121	1.5
365.23145	2.2
367.24789	2.8
413.21973	1.4
431.27905	0.9
503.33728	1.7
525.35974	1.8
527.36963	0.9
529.35376	22.0
543.36877	100.0
544.37000	2.1
595.43378	1.6
605.41919	2.0
623.43079	29.4
624.43213	1.4
641.43982	8.0
647.37946	0.9
687.40826	3.3
844.96082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.9
61.25717	2.3
65.03926	4.9
67.05508	86.9
69.03437	13.6
69.06727	3.8
69.07075	48.7
70.26701	2.1
71.04979	8.5
76.65832	2.1
79.05500	83.3
81.03429	13.7
81.06585	5.2
81.07057	77.0
83.04985	12.4
83.08633	18.8
83.25405	2.1
85.06539	3.6
87.04462	8.4
91.05486	88.8
93.07047	77.4
95.04961	12.1
95.08618	47.4
97.02902	12.3
97.06523	10.9
97.10176	28.5
105.07034	84.9
107.04992	15.6
107.08597	52.7
109.06531	9.3
109.10165	27.5
111.04552	2.9
111.08095	7.3
115.05469	3.0
116.06265	3.6
117.07018	31.1
119.08589	73.6
121.06490	7.2
121.10144	28.5
123.08082	7.8
123.11725	5.6
125.09644	16.1
128.06261	5.7
129.07022	19.3
131.08569	37.1
133.06525	4.7
133.10149	51.0
135.08061	9.4
135.11705	16.2
137.09619	5.9
141.07007	6.8
142.07791	4.3
143.08559	20.3
145.10135	30.5
147.08090	8.5
147.11691	37.4
147.12805	3.0
149.09618	10.1
149.13252	11.7
155.08557	8.0
156.09332	2.6
157.10112	16.1
159.11681	22.5
161.09680	3.4
161.13261	21.9
162.10432	2.8
163.11131	4.5
163.14920	2.4
167.08475	2.5
169.10158	8.5
171.10361	3.4
171.11711	17.4
173.13228	13.2
175.11311	2.8
175.14864	7.7
177.12766	4.2
181.12111	2.7
183.11720	7.2
185.13266	8.5
187.14839	3.8
189.11229	9.4
195.13734	2.5
197.13315	6.2
199.14885	5.2
205.12308	3.5
211.14975	3.4
213.16446	4.6
223.13205	23.6
227.12810	18.6
227.17805	3.0
239.18129	3.6
241.19508	17.5
257.19003	4.5
259.20593	46.6
269.17526	8.3
273.18515	13.5
275.20074	25.7
289.18259	3.9
291.19540	100.0
292.20065	2.7
299.23657	3.6
315.23300	6.3
333.24246	61.7
335.25949	7.4
337.28278	2.3
349.23901	16.2
361.75159	2.5
365.23264	45.8
379.30173	4.6
381.22998	2.8
398.40390	2.7
454.12280	2.7
525.35638	10.5
529.35144	7.8
531.38898	4.0
543.36920	31.6
605.41882	6.5
623.43018	75.9
641.43811	18.0
860.02032	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	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88469	1.1
65.03947	3.1
66.06573	1.1
67.05512	49.8
69.03423	3.5
69.07076	27.2
70.32355	1.1
70.98243	2.9
77.03955	1.3
79.05502	35.2
79.92695	1.2
81.03430	12.0
81.07066	60.5
83.04999	7.7
83.08621	8.5
85.02929	1.1
85.06548	5.0
89.06030	1.1
90.19252	1.1
91.05489	63.4
92.05781	1.5
93.07054	38.7
95.01328	7.5
95.04983	14.2
95.08617	29.3
97.02895	1.7
97.06541	26.4
97.10197	3.7
98.98465	1.4
99.08097	2.6
103.05470	2.7
104.31740	1.1
105.07041	81.1
107.04967	19.6
107.08607	23.2
109.06512	5.8
109.10165	27.1
111.04498	1.6
111.08071	4.3
115.05457	2.7
117.07021	13.4
119.04944	1.5
119.08590	37.5
121.06544	7.6
121.10152	10.0
123.04436	2.4
123.08059	5.4
123.11710	4.1
128.06268	2.1
129.07019	5.2
131.08583	23.7
133.06499	4.1
133.10141	54.5
135.08049	7.4
135.11711	6.2
137.09616	3.2
139.07545	2.5
141.06990	2.1
143.08589	6.1
145.06477	2.7
145.10138	15.0
147.08052	2.7
147.11699	13.4
149.09616	8.9
149.13274	3.2
151.11197	12.8
155.08543	2.1
157.10100	6.2
159.08040	2.1
159.11697	8.3
161.09639	5.8
161.13281	4.5
163.11185	5.2
165.09160	2.9
169.10132	1.6
169.12291	1.5
171.11726	4.1
173.09575	1.8
173.13283	3.6
174.88185	1.2
175.11209	2.6
177.12799	3.5
179.10643	1.4
179.14325	10.9
183.11707	2.5
184.07350	2.9
185.13203	1.4
187.11226	4.2
189.12827	2.2
197.04395	2.1
197.13397	1.5
216.52930	1.2
219.17471	1.5
245.19014	3.1
251.12827	4.4
253.11694	3.0
253.14369	61.8
255.17418	1.4
257.18954	6.5
257.37741	1.2
263.19998	2.2
273.18503	18.3
275.20090	83.4
279.15982	2.4
291.19580	20.8
293.21188	3.1
347.22180	10.4
349.23755	42.1
365.23288	32.1
427.19135	1.3
494.90656	1.1
533.93561	1.3
543.32593	1.4
545.34772	11.8
557.34033	1.7
604.94629	1.1
621.41394	15.1
639.42578	100.0
640.42657	3.0
655.27515	1.2
657.43634	2.8
663.40558	1.7
664.41296	13.6
702.63544	1.3
703.77130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	4.0
61.40260	1.8
62.05877	1.4
65.03940	2.9
67.05508	88.6
69.03429	7.1
69.07069	15.9
71.01342	2.7
71.04987	5.5
72.08160	1.7
73.02925	2.0
79.05497	34.8
81.03421	100.0
81.07060	43.5
83.04968	11.9
83.08620	29.1
85.02921	8.9
85.06544	2.8
86.09738	1.6
87.04470	4.3
91.04974	3.0
91.05487	31.0
93.07042	26.8
95.04972	34.0
95.08617	16.6
97.02883	7.2
97.06522	5.3
97.10173	18.0
105.07037	19.2
107.04947	13.7
107.08598	18.3
107.59953	1.4
109.02895	2.0
109.06528	11.7
109.10159	57.7
111.04449	5.9
111.08100	11.9
115.05453	1.7
117.07021	6.8
117.39056	1.5
119.04960	2.2
119.08588	27.2
121.02873	1.6
121.06512	8.9
121.10133	15.4
123.04432	3.4
123.08046	4.7
125.09637	13.9
128.06226	1.7
129.01140	1.3
129.05484	3.5
129.07018	14.1
131.08592	13.1
132.94415	1.5
133.06503	6.6
133.10141	10.4
135.04390	1.8
135.08069	6.7
135.11699	4.8
137.05945	1.8
137.09636	5.4
142.07770	2.5
145.06494	2.9
145.10118	9.6
147.04457	5.4
147.08052	7.5
147.11661	10.0
149.05916	2.9
149.09631	10.5
149.13281	2.4
153.12769	6.9
155.10670	4.9
157.10117	14.9
161.09666	2.8
163.11162	10.9
163.16391	1.6
173.09644	2.7
173.11794	14.3
173.13150	3.0
175.11194	10.6
175.40132	1.6
181.12262	5.7
189.11212	4.2
191.10640	4.8
193.12256	28.8
203.14490	1.9
205.12245	2.8
207.13799	2.1
209.11700	7.6
211.13269	10.4
217.12311	1.6
217.14311	3.7
219.13818	5.4
223.13176	2.3
227.12788	17.4
229.14343	42.8
231.13702	2.4
235.13348	2.5
247.13452	1.9
249.14842	4.9
250.01166	1.9
259.13385	5.1
267.15909	81.1
268.16061	1.9
273.14948	1.6
273.18539	3.9
278.22238	1.9
283.15323	13.2
291.19391	2.4
301.16663	8.4
309.16962	1.7
327.29028	1.8
345.96527	1.9
355.22800	2.2
365.21185	3.0
367.22769	4.8
373.23694	2.4
383.22165	8.7
385.23737	4.3
399.23846	14.9
401.23303	8.1
419.24268	3.4
421.25842	20.3
457.25592	1.8
458.26352	11.6
459.27322	5.9
475.26996	13.3
476.27762	18.3
477.28424	2.4
493.27875	11.0
511.28827	6.7
518.32275	3.1
591.35193	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	836.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.2
67.05505	24.6
68.50607	0.8
69.03410	3.8
69.07069	27.7
69.17057	9.5
79.05494	24.1
81.03411	6.8
81.07059	30.3
83.04970	3.6
83.08628	7.2
85.06544	2.2
91.04900	1.9
91.05480	28.3
93.07047	19.3
95.01341	4.6
95.01845	0.9
95.04974	6.6
95.08070	1.3
95.08615	17.2
97.02897	6.0
97.06538	20.0
97.10180	6.8
98.20628	0.8
103.05434	1.8
105.07030	41.4
107.04960	11.1
107.08599	11.8
109.06518	2.5
109.10159	8.0
111.08064	2.3
115.05494	1.4
117.07020	7.7
119.04933	1.1
119.08585	21.3
121.06514	3.3
121.10201	5.2
123.04372	1.0
123.08067	3.3
125.09623	6.3
128.06242	1.4
129.07027	2.7
130.07805	1.2
131.08574	12.6
133.06470	2.5
133.10130	19.6
135.08058	3.9
135.11658	3.3
137.09607	2.0
139.07582	1.2
141.06970	1.1
143.08524	2.8
145.06471	2.4
145.10117	9.8
147.08035	2.7
147.11702	7.3
149.09610	3.1
149.13261	1.5
157.10094	1.8
159.08072	1.5
159.11688	6.4
161.09587	1.9
161.13243	4.0
163.11194	2.8
165.09070	2.1
169.10069	1.3
171.10292	1.2
171.11610	1.7
173.13199	2.1
175.11264	1.2
177.12764	1.8
179.14311	6.1
184.07326	1.2
185.09912	1.0
185.13234	0.9
187.11182	1.4
189.11140	1.4
189.12743	1.4
195.11896	1.1
195.13782	1.0
205.12268	1.4
223.13268	8.9
227.12762	3.3
249.14786	1.5
257.18958	3.5
267.15848	1.0
273.18475	7.5
275.20065	50.4
291.19537	38.9
292.19647	1.4
293.21106	3.1
335.25867	1.1
347.22046	3.4
349.23727	26.5
365.23224	39.5
435.07471	0.9
541.34930	2.6
621.41388	4.0
639.42535	100.0
640.42548	3.2
657.43195	2.2
664.41034	2.6
698.31213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.2
65.03924	3.7
65.74307	1.5
67.05509	42.8
69.07070	12.7
70.06590	2.0
71.01353	1.2
71.04986	3.6
71.52853	2.1
74.96093	1.2
79.05495	31.5
81.03426	18.0
81.07063	49.4
82.07417	1.5
83.04977	5.7
83.08619	9.3
85.02898	4.4
85.06541	3.2
91.05476	21.1
93.07044	47.0
95.01337	1.9
95.04997	10.2
95.08613	19.0
95.69497	1.4
97.02903	3.1
97.06533	8.3
97.10181	1.5
99.08100	2.3
102.15429	1.3
103.05497	1.4
105.04523	1.5
105.07045	11.0
106.64059	1.3
107.02891	1.3
107.04984	6.8
107.08605	26.4
109.06500	3.6
109.10147	6.5
111.04395	1.6
111.08095	4.0
117.07027	10.4
119.08584	8.9
121.06532	10.1
121.10154	14.7
123.04397	1.7
123.08038	3.0
123.11695	2.1
125.02361	2.0
127.03818	1.5
129.07001	5.6
131.08566	10.8
133.06480	3.8
133.10150	9.9
135.04401	1.8
135.08038	4.1
135.11664	12.2
143.08597	4.5
145.10124	8.4
147.04414	3.8
147.08043	3.3
147.11743	3.6
147.45544	1.5
149.09613	4.0
149.13264	22.9
159.08076	2.1
159.11705	10.6
161.09607	1.9
161.13274	3.8
163.03862	2.9
163.11209	12.2
171.11696	4.6
173.13284	1.9
177.12737	11.5
181.12256	2.5
187.11232	2.6
189.12755	3.6
195.13873	8.4
201.12689	1.9
205.12227	3.9
207.13818	14.7
215.14325	1.5
217.12254	1.5
227.12715	11.1
229.14380	2.6
233.15419	2.6
243.13976	1.8
261.14859	7.7
267.15836	1.6
269.14551	3.5
269.17490	73.8
271.51904	1.6
283.15430	11.7
289.14392	10.5
307.15341	6.9
325.16510	3.3
335.14813	5.3
353.15994	3.5
367.42450	1.4
427.19687	50.1
435.31100	2.0
463.30383	3.1
477.28513	36.6
547.28595	2.6
589.33569	1.6
603.31744	6.3
621.32721	100.0
622.32947	2.5
639.33771	40.1
640.33698	2.0
857.45709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	0.4
61.02930	4.6
63.63852	0.3
67.05505	4.6
69.03431	3.4
69.07069	1.1
69.19195	3.1
71.01381	0.3
71.05002	0.5
73.02918	3.1
79.05499	3.5
81.03432	1.9
81.07056	5.0
83.04977	0.4
83.08619	0.5
85.02907	4.4
91.03957	3.1
91.05473	2.5
93.07047	3.6
95.05000	1.0
95.08617	3.8
97.02895	4.4
97.06564	0.6
99.04481	0.7
101.02369	1.8
105.07023	1.7
107.08604	2.0
109.02905	0.8
109.06508	0.4
109.10154	1.5
117.07072	0.6
119.08613	1.4
121.10172	1.3
123.11762	0.4
127.03917	1.4
131.08618	0.9
133.10158	1.0
135.11732	1.3
145.05029	0.5
145.10146	0.5
147.11778	0.3
149.13255	0.3
159.11713	0.4
184.07439	0.4
185.04263	0.6
197.07326	0.3
203.05252	0.4
214.12730	0.4
214.77020	0.3
243.08418	2.2
333.20306	2.9
335.25894	0.6
389.23407	0.5
439.19409	0.5
453.21045	0.7
466.54871	0.3
519.29297	5.8
519.36218	0.5
551.28284	3.9
731.43665	0.9
773.37427	0.3
777.15930	0.4
829.50720	100.0
830.50854	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	835.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07802	0.5
61.02917	1.2
62.94909	0.6
65.03951	0.7
65.65249	0.5
67.05508	1.2
69.03436	4.4
70.06587	0.7
71.52676	0.8
79.05504	1.4
80.39301	0.5
81.03432	2.1
81.07050	0.8
84.04516	0.7
85.02916	5.5
86.09718	0.8
91.05489	2.5
93.07075	1.7
93.43863	0.5
94.06569	3.2
95.04977	1.0
95.07365	1.6
95.08600	0.9
96.08135	3.8
97.02897	2.7
97.06561	0.8
98.76495	0.5
103.05492	0.9
105.07037	1.1
107.04980	0.7
107.07336	0.9
107.08587	0.9
107.62840	0.5
108.08143	7.3
109.02888	0.9
109.10146	0.9
110.09702	8.2
120.08116	7.6
121.06541	0.7
121.10155	0.6
122.06049	10.1
122.09711	1.6
124.07684	1.0
127.03906	1.3
132.08159	0.7
134.06042	1.7
136.07597	12.0
138.09151	10.6
147.04472	1.4
148.07591	5.0
150.09167	3.8
166.08656	17.6
179.04939	0.6
197.10692	0.6
209.10822	2.2
212.09286	0.6
221.10834	0.8
223.08699	0.8
223.12418	0.8
225.10275	2.0
235.08723	2.3
236.09398	4.6
237.10248	17.7
238.11058	0.9
239.11888	1.2
241.09822	0.7
247.08838	0.7
249.10268	14.8
250.11040	4.4
251.08125	0.8
251.11884	5.2
252.12711	0.9
253.09763	3.5
255.11343	1.1
261.10394	2.2
263.08237	3.0
263.11710	1.2
264.08926	10.3
265.09717	10.8
266.10617	1.9
267.11365	6.0
269.09198	1.2
276.08954	0.8
277.09741	14.8
278.07385	0.8
278.10474	6.2
279.07895	1.8
279.11276	15.8
280.11926	1.5
281.09326	5.7
281.12527	1.0
282.10248	1.1
283.11014	1.1
287.05688	1.7
289.09686	1.1
291.07687	2.2
291.11395	1.5
292.08560	3.6
292.12219	2.1
293.09308	36.7
293.12885	7.4
294.09933	1.9
295.10852	4.4
297.08966	1.0
297.12506	1.5
299.10284	0.6
305.09210	10.7
305.12494	1.0
306.10065	1.5
307.10800	15.5
309.08835	3.6
309.12451	4.1
310.09564	0.9
311.10419	3.3
311.14020	1.6
312.11230	1.9
313.11865	3.0
319.10953	2.0
321.08997	0.9
321.12436	1.2
322.13290	1.0
323.10251	8.4
323.13620	0.6
324.11145	2.1
325.11765	5.9
326.12778	1.1
327.13541	2.2
333.08722	7.7
335.10330	1.3
337.11813	4.3
338.12503	1.2
338.16672	0.7
339.09576	0.8
339.13492	11.3
340.14389	1.1
343.13110	1.3
351.09808	35.2
352.10199	0.7
353.11063	2.8
353.15170	1.9
354.12366	2.5
355.12866	5.0
356.13843	1.6
357.14676	1.4
358.15924	0.7
365.11392	3.2
366.12128	14.8
367.12997	2.1
368.14047	2.5
369.14706	2.2
370.11667	1.4
370.15689	1.5
371.12439	9.5
372.13214	1.2
372.17282	0.8
374.15298	0.8
382.11710	1.5
383.12390	16.9
383.16876	1.1
384.13339	1.7
384.17392	1.3
385.13986	7.7
386.14789	1.8
386.19116	0.7
387.15884	1.0
396.13470	1.2
397.13980	6.1
398.14539	3.8
398.19312	0.9
399.15616	2.4
400.16656	1.6
410.15067	1.1
412.16846	1.8
416.16162	0.9
418.17810	2.0
428.15952	3.7
429.17572	0.9
430.17957	1.4
438.14401	4.2
442.18060	0.8
444.19461	1.5
446.17035	11.6
448.18912	0.8
456.15680	8.0
457.16113	0.7
458.17230	3.6
460.18777	1.2
462.20068	0.6
476.18216	5.3
478.19907	4.1
486.16687	4.4
488.18451	4.4
490.19754	3.2
492.21329	0.7
504.17621	1.7
518.19299	10.9
519.20142	5.3
522.22235	0.9
536.20374	14.6
550.21899	11.8
551.22687	5.9
580.23132	0.7
591.22223	0.8
608.22937	1.0
609.23328	5.0
623.24896	2.8
640.25146	2.3
641.26086	26.3
649.23199	0.9
662.23340	1.6
680.24548	36.8
681.25360	15.1
682.26776	0.9
712.27216	5.8
713.27924	100.0
714.28491	3.6
771.28821	1.8
803.31061	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.5
67.05511	5.5
69.03436	2.8
69.07066	1.9
69.14614	5.4
71.01353	0.6
71.04999	0.6
73.02922	4.2
79.05493	4.0
81.03416	2.0
81.07063	5.0
83.04994	0.6
83.08613	1.1
85.02901	4.2
91.03972	2.7
91.05472	3.0
93.07040	4.0
95.08610	3.3
97.02902	4.6
97.06544	0.6
97.10180	1.5
98.20740	1.0
99.04477	0.6
101.02380	1.2
103.03947	0.6
105.07037	1.4
107.08591	2.4
109.02878	0.8
109.10165	1.5
117.07031	0.7
119.08637	1.2
121.10174	1.1
123.11684	0.5
125.09679	0.7
127.03954	1.5
131.08615	1.4
133.10126	0.7
135.11731	0.9
145.10147	0.9
147.11713	0.5
149.13271	0.6
159.11731	0.7
163.44829	0.5
174.54977	0.5
179.37700	0.5
184.07379	1.7
185.04242	1.1
243.08400	2.6
291.19751	0.9
331.19025	1.4
335.25839	1.2
349.23837	0.5
394.87851	0.6
519.29395	7.9
549.26941	2.6
591.31927	0.6
612.46680	0.5
770.96918	0.6
827.49170	100.0
828.49823	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	0.4
61.02933	5.8
65.03928	0.4
67.05508	6.0
69.03429	2.9
69.07081	1.7
69.28539	1.5
69.28964	1.6
71.05016	0.8
71.08633	0.9
73.02924	4.0
79.05499	3.9
81.03429	1.3
81.07070	5.0
83.08626	1.2
85.02911	4.8
86.09724	0.7
91.03970	3.2
91.05492	3.2
93.07058	4.8
95.05001	0.8
95.08618	4.2
97.02898	4.8
97.10217	0.6
98.21543	0.7
99.04477	0.9
101.02402	1.9
103.03924	0.4
105.07017	1.9
107.08604	1.7
109.02930	0.5
109.10177	3.2
109.96643	0.4
110.03079	0.3
115.04011	0.6
117.07036	1.1
119.08605	2.1
119.33455	0.5
121.10175	1.4
123.11745	0.5
125.00018	0.5
127.03933	1.2
129.07022	0.4
131.08615	1.6
133.10175	1.0
135.11693	1.0
143.08633	0.5
145.10138	1.1
147.11662	0.6
161.13260	0.6
173.11853	0.5
173.13239	0.5
184.07404	1.4
185.04283	1.1
203.05214	0.4
229.14374	3.1
230.14850	1.0
243.08511	2.1
245.19247	0.4
261.22281	0.4
269.17181	0.4
269.91135	0.3
275.96658	0.4
301.85257	0.4
313.27457	1.4
314.27716	1.0
331.18802	7.7
335.25833	0.8
387.21594	0.8
413.17728	0.4
435.55087	0.4
467.37430	0.8
468.38000	1.7
486.09842	0.4
519.29449	5.0
532.02307	0.4
549.26715	3.2
601.40741	0.7
827.49182	100.0
828.49451	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.7
60.08170	7.3
61.02929	7.1
65.03934	1.6
66.08523	1.0
67.05508	53.7
69.03416	1.8
69.07066	5.5
69.99974	0.9
71.04990	2.1
71.07355	4.2
71.08639	15.2
71.52960	1.3
71.53380	1.1
73.02908	3.2
74.31296	0.9
79.05482	2.6
81.03410	1.0
81.06602	1.1
81.07063	14.2
83.08621	9.9
85.02531	1.0
85.02923	10.1
85.06556	1.8
85.10188	8.0
86.09711	39.9
89.05995	1.1
91.03947	6.1
91.05472	4.2
93.07037	4.7
95.04993	1.3
95.08619	15.0
97.02911	5.8
97.10170	3.0
98.98456	2.9
104.10739	2.5
105.07027	1.1
107.08617	2.1
109.10162	58.0
111.08089	2.3
113.13091	0.9
119.08575	3.3
121.10109	1.2
123.11697	1.9
125.00010	20.5
127.03944	3.2
137.09647	2.1
145.04965	2.9
147.11670	1.1
155.10678	5.3
163.05981	2.3
173.11717	13.8
184.07346	100.0
229.14362	76.5
230.14909	1.5
252.94421	1.0
257.24826	1.4
313.27380	73.4
314.27679	2.0
344.22110	1.9
467.37375	86.3
468.37506	2.1
611.42096	1.1
614.95734	1.1
654.46863	1.2
704.08466	1.0
808.50854	1.9
826.52179	10.2
827.48993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.5
63.92310	0.4
65.30943	0.4
67.05512	5.6
69.03434	2.6
69.07079	1.1
71.04971	0.5
71.08669	0.4
73.02926	3.5
78.43235	0.3
79.05502	4.3
81.03419	1.9
81.07062	3.8
83.08628	0.8
84.86401	0.4
85.02916	4.5
85.06542	0.4
86.09698	0.6
91.03973	2.9
91.05482	3.7
93.07058	4.4
93.81413	0.4
95.04975	0.5
95.08609	3.3
97.02895	4.2
97.10133	0.4
97.50853	0.4
98.21532	0.7
99.04477	0.8
101.02378	1.5
101.40834	0.4
102.44728	0.3
103.03954	0.6
105.07066	2.6
107.08599	2.7
109.02866	0.6
109.10195	1.8
111.08181	0.5
115.03940	0.4
115.05497	0.5
117.07027	1.2
119.08604	2.2
121.06464	0.5
121.10166	1.4
125.09661	0.5
127.03944	1.5
129.06926	0.5
131.08595	2.3
133.06570	0.5
133.10188	1.3
135.08098	0.5
135.11742	1.1
143.08603	1.6
145.10161	1.5
147.11739	0.9
157.10129	0.8
159.11731	0.6
161.13284	0.6
171.11810	0.6
184.07446	1.3
185.04395	0.5
203.05261	0.4
229.14296	1.1
235.40909	0.4
243.08401	2.2
259.07730	0.6
273.18588	0.5
300.22284	0.4
313.27499	0.7
314.27808	0.6
324.14716	0.4
331.18845	5.3
335.26041	0.8
387.21368	0.7
413.17813	0.8
468.37912	0.6
519.29437	3.8
549.26801	6.2
777.91602	0.5
823.21649	0.5
827.49194	100.0
828.49481	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	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.1
61.02930	7.4
61.31912	0.4
65.03955	0.9
67.05508	45.8
69.03428	1.5
69.07073	4.7
70.69946	0.6
71.04993	2.3
71.08239	0.7
71.08636	12.4
73.02934	2.6
79.05488	1.2
81.03413	0.9
81.07063	12.3
83.08626	7.7
85.02910	10.0
85.06543	1.6
85.10183	8.6
86.09705	0.7
87.04464	0.4
88.93121	0.5
89.06025	0.5
89.24878	0.3
91.03958	6.9
91.05482	3.3
93.07043	2.4
95.04965	0.4
95.08612	12.9
97.02896	5.8
97.10173	3.1
97.93269	0.3
99.04476	0.7
99.08139	0.4
103.03918	0.4
105.07050	0.5
107.08587	1.1
109.02865	0.4
109.10163	53.6
110.10497	0.5
111.08099	2.5
111.37257	0.3
115.03961	0.5
119.08578	3.9
121.10099	0.4
123.11723	2.1
125.00019	0.4
127.03931	2.8
127.11193	0.4
132.66653	0.3
137.09618	2.6
137.13318	0.8
145.04985	3.1
150.68039	0.4
155.10675	5.2
163.06036	4.5
173.11745	15.5
184.07324	2.5
204.41682	0.4
229.14362	100.0
230.14725	1.2
239.23755	1.4
257.24799	1.4
313.27377	76.9
314.27734	1.0
373.18582	0.6
467.37360	60.9
468.37433	0.8
584.58270	0.4
611.46552	0.4
719.65686	0.4
826.47375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.9
65.03938	0.5
67.05508	10.8
68.05846	1.2
68.28596	0.4
69.03437	3.2
69.07067	4.0
69.15427	2.9
70.06581	1.0
71.01348	0.4
71.04997	0.6
73.02930	2.9
79.05498	8.0
80.05857	0.6
81.03418	2.1
81.07065	10.2
82.07385	0.9
83.04977	1.3
83.08627	3.0
85.02917	4.5
85.06535	0.5
87.04496	0.4
88.09668	0.3
91.03975	2.6
91.05490	7.4
92.05836	1.0
93.07048	8.4
94.07361	0.7
95.05000	0.8
95.08617	6.2
95.09184	0.6
96.08959	0.9
97.02899	3.8
97.06528	1.2
97.10175	4.1
98.10458	0.4
99.04407	0.4
101.02393	1.9
105.07039	4.3
106.07382	0.8
107.05000	0.9
107.08603	6.3
108.08919	0.7
109.02861	0.8
109.06522	0.8
109.10166	3.7
110.10516	0.4
116.07111	1.1
117.07028	2.1
119.08585	5.3
119.09985	0.4
120.08955	0.7
121.06510	0.3
121.10151	2.8
122.10558	0.4
123.08121	0.5
123.11753	0.9
125.09639	3.9
126.09994	0.7
126.16502	0.3
127.03970	0.8
129.07025	0.4
131.08598	2.1
133.10138	2.4
134.10515	0.7
135.08084	1.3
135.11703	1.5
136.71140	0.3
143.08545	0.6
145.06583	0.3
145.10162	1.9
146.10507	0.8
147.11708	1.6
148.12083	0.7
149.09615	1.3
149.13275	0.4
150.09909	0.4
151.11205	0.3
153.09164	0.4
159.08096	1.2
159.11668	1.8
161.09653	0.5
161.13290	0.7
163.11298	0.5
163.14818	0.4
169.10176	0.5
171.11665	0.4
173.13301	0.6
175.14827	0.5
184.07324	0.5
185.04230	0.8
187.14793	0.3
189.11261	1.3
227.12779	2.9
228.13208	0.9
243.08440	2.7
244.21526	0.4
257.19193	0.6
258.19479	0.4
260.20975	0.4
261.22275	0.6
262.22684	0.8
271.16937	0.4
275.20068	3.1
276.20392	1.5
289.18225	0.4
299.16193	1.0
329.17261	9.0
329.21164	0.6
335.25845	5.4
336.26138	3.6
349.23752	2.9
350.24097	2.9
356.65994	0.4
385.19916	1.0
494.72916	0.4
506.35449	0.7
516.37775	0.4
519.29706	3.2
522.67572	0.4
547.25226	5.3
609.45154	1.7
610.45453	7.5
628.46576	1.5
825.47601	100.0
826.47998	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	825.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.5
63.29620	0.5
67.05507	9.4
69.03439	3.7
69.07069	3.8
70.06592	1.8
71.01350	0.4
71.52433	0.5
73.02919	3.6
78.02424	0.4
79.05504	8.1
81.03416	2.2
81.07063	9.3
81.86660	0.4
83.04971	1.0
83.08623	1.7
85.02915	6.3
87.04458	0.6
91.03970	2.2
91.05492	5.3
93.07047	6.6
94.07378	0.5
95.04956	1.2
95.08614	6.5
96.08933	0.8
97.02908	5.2
97.06551	1.7
97.10175	2.1
99.04428	0.5
101.02409	1.2
105.04531	0.4
105.07052	3.8
106.07391	0.5
107.08615	4.7
108.08946	0.8
108.94523	0.5
109.02905	0.7
109.10162	3.4
116.07112	3.6
117.07040	1.8
119.08604	4.2
120.08965	0.4
121.06609	0.5
121.10159	2.4
122.10469	0.7
123.11706	0.9
125.09656	2.4
127.03951	1.4
129.05528	0.5
131.08624	2.4
132.08928	0.6
133.10159	1.5
135.11726	1.4
143.08597	0.6
145.10136	1.1
147.11731	1.2
149.09641	0.8
149.13252	0.5
157.10187	0.4
159.08107	0.6
159.11745	0.9
161.13246	0.6
162.13736	0.5
173.13283	0.8
184.07370	1.1
185.04240	0.6
185.13289	0.5
187.14821	0.6
189.11359	0.6
201.16722	0.5
227.12689	0.5
233.81154	0.4
243.08401	1.9
261.22232	0.8
275.20129	1.9
276.20285	0.9
304.63245	0.4
329.17252	15.4
335.25824	6.2
336.26230	4.2
349.23999	2.4
350.24182	1.5
385.19836	0.6
514.39154	0.5
519.29614	3.8
547.25134	2.4
609.44995	1.8
610.45453	7.4
622.81213	0.4
627.45770	0.5
628.46313	1.6
659.05090	0.4
825.47589	100.0
826.48419	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.0
65.03938	4.5
66.69891	1.8
67.05511	55.1
69.03446	2.4
69.07076	19.0
69.32069	6.1
69.32497	8.7
71.04998	1.9
79.05502	49.3
79.05961	2.7
81.03438	2.0
81.07069	54.8
83.04965	2.7
83.08640	12.2
83.09052	2.1
85.02903	3.7
85.06536	3.1
91.03944	3.0
91.05492	43.6
93.07059	47.3
95.04980	7.6
95.08619	42.7
97.06552	4.5
97.10176	4.9
103.05511	2.6
105.04498	2.1
105.07044	49.2
107.04958	2.1
107.08604	26.4
109.06519	3.5
109.10167	18.5
111.08022	2.4
115.05469	3.7
117.07028	30.0
119.08594	34.7
120.23459	2.1
121.10149	20.2
123.08143	2.3
123.11732	5.0
128.06233	3.3
129.07028	17.1
130.07768	2.7
131.08578	25.1
133.10143	29.7
135.11703	11.6
137.48334	1.9
141.07004	6.1
142.07756	3.7
143.08582	20.1
145.10147	26.0
147.11711	17.7
149.13286	5.4
155.08559	11.8
157.10161	16.7
159.11713	20.0
161.13254	12.5
167.08609	5.1
169.10161	12.1
171.11653	13.9
173.13290	11.5
175.14899	5.2
177.12807	2.1
179.08560	2.5
181.10149	7.5
183.10316	2.2
183.11670	12.3
184.07370	4.7
185.13283	11.3
187.14879	6.4
193.10184	2.4
195.11671	10.1
197.13303	11.3
199.14859	4.7
201.16353	2.4
207.11592	2.3
209.13275	6.5
211.14850	6.5
213.16454	3.3
221.13199	2.7
223.14850	5.3
225.16331	4.6
227.18083	3.5
237.16457	3.8
239.17857	3.9
241.19809	3.0
249.16425	2.0
251.17870	2.5
253.19661	2.4
257.19083	4.7
259.20734	3.5
265.19568	2.6
297.22333	2.4
313.21371	1.8
325.25345	3.0
333.24356	6.5
335.25919	2.7
365.09091	1.9
377.28271	2.5
447.32373	2.5
473.32593	3.4
487.34119	2.5
501.35904	2.7
513.35596	1.9
517.40277	9.7
535.41504	5.0
539.37354	3.5
591.44012	7.2
609.45190	100.0
610.45496	4.8
771.50092	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.9
61.51255	0.8
65.03935	3.9
67.05510	88.8
69.03436	9.0
69.07076	30.7
70.77016	2.1
70.77351	0.9
71.05000	5.9
71.08618	1.4
73.02917	1.4
75.55313	0.9
79.05499	69.1
81.03429	9.4
81.07063	89.5
83.04996	9.1
83.08628	13.4
85.02917	6.0
85.06525	4.0
91.05487	49.9
93.07052	77.8
95.04980	7.6
95.08613	56.5
97.02892	3.4
97.06534	10.9
97.10178	5.4
99.04443	1.7
99.08092	3.9
103.05482	2.2
105.04513	4.1
105.07038	36.2
107.04973	5.8
107.07876	2.0
107.08604	40.7
109.02897	2.0
109.06525	5.7
109.10165	21.9
110.39421	0.8
111.04433	1.2
111.08100	5.0
113.09625	0.9
115.05424	2.4
116.55943	0.9
117.07035	15.0
119.08591	28.6
121.06503	3.7
121.10152	26.8
123.04411	1.2
123.08069	3.7
123.11719	6.5
125.09626	3.0
127.03914	3.1
127.11221	0.9
128.06255	1.3
129.05478	2.5
129.07028	5.7
130.07758	0.9
131.07607	1.3
131.08580	23.6
133.06514	1.4
133.10138	21.6
135.08043	4.0
135.11705	21.9
137.04059	0.9
137.09590	3.9
137.13292	1.2
139.11209	1.2
141.07047	2.0
142.07838	1.2
143.08603	4.3
145.05035	1.1
145.06476	1.4
145.10143	17.7
147.11700	13.6
149.09622	10.0
149.13271	12.4
151.11166	1.9
153.09149	0.9
155.08574	1.9
157.10197	4.3
159.07965	0.9
159.11722	14.1
160.44542	1.0
161.09615	1.3
161.13275	7.1
163.11244	5.1
163.12393	1.0
163.14841	2.7
169.10120	2.9
171.11745	5.4
173.04434	3.5
173.09621	1.0
173.13255	10.4
175.11203	1.1
175.14824	3.6
177.12723	3.3
179.14311	1.7
181.12149	1.9
183.11705	2.7
184.07278	1.3
185.13255	3.5
187.14825	2.7
189.16368	1.2
195.13884	5.4
197.13223	1.5
199.14827	2.4
201.12926	1.0
201.16377	1.6
217.15945	1.6
219.17439	2.1
227.12740	2.8
229.14349	2.8
229.19528	2.0
233.15457	1.0
233.22603	1.0
235.16904	1.3
237.16418	1.3
239.17932	1.7
243.21138	3.0
247.20581	1.1
251.16362	1.2
255.15901	9.9
257.19080	7.1
259.20551	2.8
261.14929	0.9
261.22156	11.5
267.15942	2.6
269.17514	28.8
273.18347	0.9
275.17316	1.6
275.20105	23.7
291.19562	1.2
293.21201	2.6
303.22949	1.1
309.20538	4.5
317.24753	2.1
331.22922	1.8
333.24271	2.0
335.25815	100.0
336.26093	1.4
349.23737	21.9
367.24811	4.5
401.98221	0.9
413.21667	2.1
437.34146	1.6
455.35333	1.2
489.35748	2.9
515.37311	18.2
529.38934	71.4
530.39587	2.3
543.40332	1.2
569.42047	10.1
609.45215	29.3
610.45496	1.0
627.46350	10.4
649.39465	1.2
673.42865	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.8
61.02905	2.4
65.03947	3.6
67.05512	77.2
69.03446	6.9
69.06728	2.0
69.07079	25.3
69.23119	12.8
70.06581	4.4
71.04991	10.6
72.08135	1.5
73.02885	2.0
79.05500	45.5
81.03427	92.2
81.07066	73.1
83.05005	10.8
83.08148	2.2
83.08628	33.2
84.04528	1.9
85.02902	5.0
85.06540	4.0
91.04907	1.8
91.05492	46.3
93.07052	49.8
95.04980	35.9
95.08074	2.3
95.08623	31.9
97.02888	5.7
97.06528	15.1
97.10179	16.6
98.20795	2.8
99.08077	4.0
105.07047	38.4
107.04957	11.4
107.08606	39.2
109.02913	1.6
109.06523	9.2
109.10164	37.2
111.04469	2.3
111.08092	14.4
115.05457	2.5
116.07076	1.7
117.07032	15.4
119.08592	34.8
121.06514	8.6
121.09333	1.9
121.10159	21.6
123.04398	2.3
123.08062	7.9
123.11720	4.6
125.09651	15.8
128.06207	1.4
128.30434	1.3
129.07011	17.5
131.04903	1.5
131.08580	27.1
133.06529	7.6
133.10150	26.7
135.08072	6.5
135.11716	10.0
137.09605	7.1
139.07535	1.7
141.07005	2.9
142.07779	3.4
143.08571	9.6
145.06447	3.7
145.10141	17.7
147.08058	6.7
147.11710	21.2
149.09627	14.8
149.13248	5.9
151.11217	4.0
153.09113	3.1
155.08545	4.4
155.10643	3.1
157.10152	20.0
158.25952	1.4
159.08046	2.9
159.11703	11.2
161.09605	3.9
161.13223	3.4
163.11238	7.9
165.12761	3.6
169.10165	4.4
171.08006	2.0
171.10297	1.7
171.11745	5.2
173.09575	3.1
173.11752	8.7
173.13280	5.2
175.11209	15.3
177.12773	3.6
179.03455	1.7
179.14325	1.7
181.10130	2.4
181.12204	1.8
183.11711	3.8
184.07324	1.9
185.13249	4.1
187.11221	2.8
189.11226	6.3
193.12259	28.4
195.11696	1.7
195.13805	2.7
197.13275	3.2
199.11163	2.1
199.14838	2.2
201.12642	1.9
203.14386	2.2
205.12227	2.3
209.13307	2.5
211.13289	4.9
217.15965	3.0
227.12700	10.8
229.14343	26.4
229.19429	2.1
233.15306	1.7
247.20715	2.3
249.14919	3.1
255.15880	3.9
257.18948	3.8
267.15945	100.0
268.16266	1.4
269.17477	14.8
273.14847	2.1
275.20096	22.5
283.15417	1.8
293.21051	5.3
299.19968	1.5
314.09756	1.5
329.20901	2.5
331.22559	2.0
341.24567	1.6
349.23788	16.7
351.23178	3.0
367.24911	20.7
369.24139	4.3
387.25314	3.4
398.68460	1.5
403.24823	2.9
421.25891	40.0
431.29382	2.4
433.29608	2.4
437.29202	2.9
438.48923	1.7
443.28015	12.1
447.27518	13.1
449.30054	4.1
461.29062	69.1
465.28522	12.8
467.31509	4.3
474.29852	1.5
475.30353	3.3
477.28268	2.7
479.30148	6.8
485.32584	2.6
493.31747	35.4
501.32156	2.2
503.30423	1.6
511.29230	2.0
523.34320	4.0
541.35309	65.6
542.35297	1.9
559.36389	66.5
560.36688	1.9
569.30695	1.8
573.37146	4.2
587.31567	3.6
591.39227	3.3
605.33734	2.2
644.31085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.7
57.07086	2.1
58.09064	1.1
61.77697	1.0
62.75704	1.1
65.03943	2.3
67.05510	33.8
69.03432	1.7
69.06732	1.9
69.07078	29.0
71.04996	2.1
77.03940	1.3
79.05497	37.7
81.03417	5.8
81.07062	48.5
83.04989	3.6
83.08614	7.8
85.06556	1.9
91.05486	59.1
93.07052	40.6
95.01349	6.8
95.04961	7.6
95.08613	31.4
97.06539	16.8
97.10184	2.3
99.08102	1.8
103.05505	3.1
105.04530	1.7
105.07039	77.8
107.04973	12.2
107.08606	18.9
109.06542	4.1
109.10167	9.3
111.08100	1.3
115.05451	1.8
117.07029	16.9
119.06195	1.4
119.08591	44.6
121.06511	1.6
121.10164	12.1
123.04427	2.1
123.08061	4.0
123.11742	3.3
125.09644	1.9
128.06224	1.9
129.07018	6.8
131.08582	23.7
133.10143	44.0
135.08078	2.4
135.11702	10.6
137.09648	2.1
141.06993	2.1
143.08546	6.8
145.06546	1.8
145.10132	18.8
147.11696	23.9
149.09633	4.6
149.13260	5.7
155.08615	2.5
157.10155	6.0
159.08069	1.2
159.11707	13.6
161.09651	1.7
161.13281	17.1
163.11171	2.6
163.14861	1.6
169.10234	1.7
171.11700	7.0
173.13261	6.6
175.11310	1.6
175.14830	6.9
177.12721	3.5
179.14331	10.2
183.11754	2.7
185.13304	3.2
187.11240	2.8
187.14795	2.7
189.12921	1.2
197.13391	1.9
199.14880	2.4
213.16389	1.0
215.18147	1.3
219.17432	1.4
229.19646	1.5
231.21169	1.5
232.81856	1.0
239.18037	2.5
241.19577	15.2
257.19003	4.6
259.20618	21.8
275.20084	50.6
293.21182	2.7
315.23264	7.9
331.22806	1.1
333.24252	51.9
349.23773	47.8
351.25009	1.5
513.35614	3.0
607.43604	100.0
608.43665	3.0
625.44574	12.0
822.46625	3.0
850.82886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.3
61.02928	1.4
65.03931	3.6
67.05510	57.1
69.03419	3.5
69.07076	15.6
69.26639	11.1
71.04985	4.4
74.85035	1.1
79.05500	45.6
81.03415	3.4
81.07063	61.9
83.04988	3.8
83.08624	11.7
85.02900	1.6
85.06535	3.4
91.05487	53.3
93.07049	46.4
93.07642	2.3
95.04978	7.1
95.08614	42.6
97.06514	5.3
97.10165	7.6
98.55684	1.0
99.08086	1.3
103.05474	2.9
105.07030	42.0
107.04963	3.1
107.08604	24.2
109.06518	6.5
109.10168	14.9
111.08109	2.2
112.30949	1.2
115.05460	5.1
116.06273	2.4
117.07029	29.2
118.52800	1.3
119.05000	2.2
119.08587	32.9
121.06520	5.2
121.10146	17.5
123.08080	3.0
123.11701	4.9
125.09628	3.5
128.06226	12.7
129.07025	19.6
130.07822	7.1
131.08575	50.1
133.06526	4.2
133.10143	17.5
135.08087	4.7
135.11700	10.1
137.09653	2.1
139.11157	2.1
141.06978	6.3
142.07784	3.1
143.08578	45.4
145.06505	2.0
145.10133	52.8
146.10393	1.6
147.08067	6.3
147.11705	8.8
149.09665	3.0
149.13293	4.5
151.11162	1.9
155.08563	6.1
157.10141	14.6
159.08076	3.0
159.11720	15.6
161.09598	9.0
161.13303	3.0
163.11150	2.8
166.07950	1.6
167.08565	2.3
169.10136	9.9
171.08081	1.8
171.11703	12.3
173.09659	2.6
173.13271	5.4
175.11192	3.6
177.12778	2.4
181.10120	7.4
183.11723	4.9
184.07314	1.7
185.09798	2.1
185.13297	4.6
187.14865	2.2
195.11754	11.5
197.13310	2.0
199.11320	2.1
201.12799	1.8
203.14288	1.3
209.13216	1.8
211.14853	2.9
227.12775	2.8
227.17992	3.9
231.17543	1.6
237.16403	13.4
239.17943	1.6
241.14394	2.8
245.19110	3.6
255.17438	14.2
259.20694	2.0
261.22147	4.8
271.16977	1.5
272.17258	3.4
273.18506	57.6
275.20239	2.5
317.24878	1.6
329.21130	7.9
333.24277	2.1
335.25821	100.0
336.26248	4.4
346.20230	1.2
347.22211	37.7
349.23737	2.4
365.23196	1.8
503.37491	7.3
561.41278	2.7
589.42090	1.5
607.43579	77.3
608.43329	3.3
610.45490	1.4
625.44580	24.1
651.88770	1.3
729.37134	1.3
787.48541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.5
57.07077	3.7
61.71090	2.0
65.03960	3.9
67.05511	64.8
69.01070	1.5
69.03429	5.4
69.07076	22.8
69.54658	8.7
69.55074	4.0
71.04982	6.2
74.84960	1.8
79.05505	50.1
81.03416	2.8
81.07066	68.9
83.04980	4.2
83.08614	14.1
85.02930	2.7
91.05486	67.1
93.07053	60.0
95.04981	6.8
95.08616	48.7
97.06532	6.9
97.10163	7.4
99.08115	2.5
103.05473	3.3
105.07041	58.6
107.04977	3.4
107.08611	26.9
109.06534	8.1
109.10176	14.0
111.08054	2.8
115.05466	4.9
116.06265	4.5
117.07037	40.0
117.07855	3.3
119.08585	35.4
121.06509	5.2
121.10147	18.5
123.08081	5.1
123.11678	3.8
125.09641	5.5
127.10232	1.9
128.06226	25.6
129.07018	22.1
130.07802	10.9
131.08585	80.6
133.06499	4.9
133.10156	18.4
135.08034	4.8
135.11696	8.6
137.09554	1.8
141.06985	9.3
142.07768	5.5
143.08575	92.6
145.10138	89.5
147.08047	7.3
147.11665	9.8
149.09615	4.3
149.13284	4.4
154.07814	2.4
155.08583	7.4
157.10144	22.2
159.08057	4.0
159.11720	18.2
161.09674	10.1
161.13298	1.8
163.11197	4.4
165.07018	3.6
167.08575	3.7
169.10156	10.4
171.11740	17.2
173.13272	3.5
175.11177	4.1
177.12726	2.1
180.09500	2.3
181.10121	10.8
183.11745	12.7
185.09523	2.4
185.13254	7.4
187.11201	3.3
195.11697	20.5
199.11212	3.4
201.12769	2.1
203.12694	1.8
209.13229	3.2
211.14861	3.3
213.12883	3.7
227.17969	7.4
231.13890	3.0
237.16397	23.0
241.14323	3.9
245.19070	4.9
255.17453	25.0
257.19101	2.4
259.20642	1.9
261.22211	4.8
273.18515	75.1
275.20016	2.5
329.21182	11.8
335.25833	87.9
336.26007	4.1
347.22205	55.8
440.07065	2.0
503.37543	4.8
561.41577	4.9
589.42267	3.4
607.43567	100.0
608.44177	2.5
625.44684	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.2
57.07061	2.4
61.02937	1.1
65.03927	4.8
67.05505	87.8
69.03426	7.0
69.07067	24.1
69.37130	0.8
70.00185	2.0
70.00584	1.9
71.04991	5.7
71.08601	1.0
75.54023	0.8
77.03921	2.0
79.05493	62.4
81.03419	8.6
81.07058	91.6
83.04981	19.1
83.08219	1.2
83.08630	11.7
85.02876	2.9
85.06554	6.3
86.09728	4.4
89.06035	0.9
91.05481	73.3
93.07044	74.5
95.04959	13.0
95.08608	48.8
97.02885	3.6
97.06529	8.4
97.10174	6.9
99.04471	1.9
99.08083	2.0
103.05454	2.0
105.04487	1.1
105.07029	55.9
107.04953	10.4
107.08594	51.0
109.02911	1.5
109.06525	10.6
109.10161	61.0
111.04440	1.8
111.08093	4.5
113.05980	2.3
115.05451	2.2
117.07016	14.8
119.04898	1.4
119.08586	28.7
121.06502	9.5
121.10139	20.5
123.04419	1.1
123.08099	6.3
123.11707	12.8
125.00004	2.4
125.05990	1.4
125.09634	3.7
127.07549	2.6
128.06180	1.6
129.07013	4.7
131.04897	1.2
131.08569	21.7
133.06499	5.9
133.10129	68.3
135.08057	8.8
135.11691	14.4
137.05971	1.3
137.09607	4.2
139.07555	1.6
139.11156	1.2
141.07002	1.9
142.07738	1.4
143.08545	7.0
145.06453	1.8
145.10143	14.3
147.08073	6.3
147.11679	9.0
149.09613	9.9
149.13283	6.5
151.11185	28.9
153.12640	1.2
155.08623	1.8
157.10115	6.8
159.08046	4.2
159.11693	8.6
161.09630	9.3
161.13246	5.2
163.07544	1.2
163.11180	3.5
163.14845	3.1
165.09007	1.3
165.12715	1.2
169.10091	2.2
169.12251	5.6
171.11665	5.1
173.09602	2.2
173.13307	5.1
175.11180	6.1
175.14783	1.9
177.09114	2.5
177.12729	2.1
177.16464	0.9
179.10628	2.0
181.12320	0.9
183.11726	2.0
184.07324	16.1
185.09669	1.1
185.13272	2.6
187.11211	1.8
187.14732	1.5
189.12735	2.8
193.12163	2.0
195.13811	1.0
197.13231	1.4
199.14859	2.2
201.16312	1.3
203.14301	1.4
213.12759	0.9
215.12779	4.9
219.13968	1.0
223.13290	2.8
227.12782	0.9
227.17961	2.8
231.17281	0.9
243.21013	2.5
245.18939	6.1
251.12749	2.9
253.14354	78.7
255.17453	3.7
259.20624	1.2
261.22113	13.0
263.20029	5.7
271.15445	2.7
273.18488	33.5
275.19989	1.8
287.20261	1.1
289.18073	1.0
291.19537	42.9
309.20596	3.8
317.24747	2.7
329.21411	1.5
333.24237	1.1
335.25790	72.6
337.27243	1.3
347.22171	14.6
349.23694	1.4
365.23227	64.3
439.31979	1.5
457.32889	1.4
513.35706	8.0
529.35138	2.6
531.36841	13.9
533.39893	1.1
543.40491	1.0
607.43567	9.7
625.44611	100.0
626.44757	3.8
643.45044	2.3
791.35669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.3
57.07063	3.0
61.02920	2.1
65.03938	3.6
67.05509	76.9
69.03436	6.1
69.07069	22.0
69.93579	3.5
71.05008	6.7
73.02950	1.1
73.06567	0.8
75.89207	0.8
79.05499	53.3
81.03427	8.3
81.07061	84.5
82.01029	0.7
83.04989	15.4
83.08608	8.6
85.02893	2.7
85.06545	4.6
86.09709	2.2
91.05487	56.8
93.07048	62.3
95.04970	8.8
95.08614	41.1
97.02893	1.9
97.06534	6.6
97.10204	3.9
98.21492	1.5
99.04449	2.1
99.08060	1.1
103.05467	1.4
105.04527	1.3
105.06319	1.5
105.07038	45.5
107.04961	6.3
107.08601	49.2
109.06529	8.4
109.10163	58.7
111.04483	1.0
111.08097	3.3
113.05989	1.7
115.05543	1.1
117.07010	9.6
119.08587	15.8
121.06516	6.0
121.09331	1.6
121.10156	22.1
122.43471	0.7
123.04402	1.2
123.08060	4.5
123.11710	11.0
124.99957	1.0
125.06004	1.0
125.09634	1.8
127.07539	2.6
128.06247	1.5
129.07010	4.3
131.08572	17.0
133.06532	4.5
133.10139	68.5
133.52266	0.8
135.08078	7.4
135.11700	12.9
137.09592	2.9
137.13243	1.0
143.08574	4.9
145.10143	10.5
147.08037	3.8
147.11699	6.7
149.09615	5.4
149.13251	5.6
151.11191	29.2
157.10117	3.8
159.08057	1.9
159.11693	7.2
161.09665	7.2
161.13246	4.4
163.11189	1.9
163.14833	2.8
169.12209	5.4
171.11739	3.8
173.13310	3.9
175.11163	2.8
175.14833	1.5
177.09137	1.4
177.12846	1.2
177.16473	1.1
179.10616	1.7
181.10143	0.9
184.07343	6.2
185.13269	2.4
187.11107	1.5
187.14865	1.8
189.12785	1.3
195.13750	1.0
199.11179	1.3
199.14661	1.0
201.16380	1.1
203.14302	0.8
207.13805	0.9
215.12766	3.9
223.13429	1.0
227.17949	0.9
234.27788	0.8
243.21112	3.5
245.19014	5.3
249.14941	0.8
251.12833	1.5
253.14363	97.0
255.17458	2.3
259.20627	1.8
261.22150	12.0
263.20071	3.6
267.16040	1.0
271.15314	2.0
273.18484	22.2
275.19983	1.2
291.19540	22.1
309.20554	2.6
317.24799	2.3
323.64334	0.9
333.24307	2.4
335.25809	100.0
336.26163	1.6
347.22202	6.9
365.23248	36.6
417.29953	1.3
421.31238	0.9
439.32181	2.0
513.35828	5.7
515.38220	1.0
529.35175	3.3
531.36896	35.6
545.38330	1.0
551.40558	0.9
607.43457	7.9
611.46667	1.6
625.44647	74.5
626.44745	2.3
643.45636	1.6
840.89526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.0
57.07081	1.1
57.96331	0.8
60.08162	1.4
65.03935	3.0
67.05508	56.5
69.03432	9.6
69.07072	32.3
69.94633	4.4
71.04995	2.0
71.07364	1.1
71.08626	0.8
77.03876	0.9
79.05498	41.6
81.03426	4.6
81.07062	50.1
83.04989	4.4
83.08620	10.4
85.02897	1.6
85.06536	2.5
86.09705	5.5
91.05484	25.1
93.07049	43.8
95.04969	8.5
95.08609	39.6
97.02886	11.0
97.06544	5.1
97.10175	13.7
98.20800	1.1
103.05478	1.3
105.04499	1.0
105.07043	16.3
107.04965	6.1
107.08603	28.2
109.02872	0.9
109.06526	2.7
109.10165	16.3
111.08051	2.9
111.34283	0.9
112.44496	0.9
117.07026	11.3
119.04920	1.1
119.08589	18.9
121.06500	2.3
121.10139	15.7
123.08092	4.9
123.11692	4.2
125.00022	4.4
125.09644	9.9
128.06267	1.1
129.06990	4.1
131.08582	11.7
133.06519	2.8
133.10144	9.5
135.08034	3.4
135.11707	7.6
137.09613	2.5
137.13269	1.1
142.07777	1.1
143.08554	2.5
145.10109	8.1
147.08060	5.4
147.11697	5.6
149.09595	2.5
149.13229	4.4
151.11172	1.0
153.09116	1.4
157.10130	2.9
159.08012	1.3
159.11671	5.0
161.09593	3.8
161.13245	3.0
162.58981	0.9
163.11226	2.1
163.14801	1.9
165.09116	1.1
169.10130	1.0
171.10275	1.2
171.11671	2.7
173.09549	1.2
173.11867	1.1
173.13261	3.9
175.11205	2.8
175.14906	1.1
177.12877	1.1
184.07349	18.5
185.13231	1.2
187.14836	1.7
189.11217	3.3
193.12135	0.9
195.13728	1.3
199.14870	1.4
205.12224	1.8
223.13300	20.6
224.81520	0.9
227.12830	4.3
243.21097	2.9
245.19138	1.4
249.14882	3.4
261.22137	9.1
267.15872	1.3
273.18515	12.5
275.19864	1.4
282.15347	1.3
291.19550	95.7
292.19864	1.9
313.02094	0.9
317.24786	3.6
335.25809	98.4
347.22162	2.6
349.00024	1.0
365.23230	54.0
366.23566	1.6
527.37585	1.1
545.38245	2.8
560.59821	1.1
607.43347	2.6
625.44623	100.0
626.44440	3.1
643.45325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.7
57.07077	2.2
59.04995	4.0
61.02924	3.1
65.03934	2.4
67.05509	100.0
69.03429	4.7
69.07074	11.9
70.06601	1.6
70.75824	0.7
71.01376	0.9
71.04996	30.2
72.54075	0.8
73.02911	1.7
73.06562	1.1
79.05499	27.2
81.03420	11.0
81.03869	1.1
81.07060	95.8
82.07394	0.9
83.04975	7.8
83.08629	12.5
85.02907	8.7
85.06554	10.8
86.09705	1.4
87.04491	2.1
91.03960	1.7
91.04900	1.5
91.05486	29.5
93.07048	21.2
94.07319	0.8
95.04974	4.5
95.08614	14.3
96.04490	0.9
97.02922	3.4
97.06543	8.1
97.10165	9.1
99.08111	1.5
105.07037	16.1
107.04984	3.2
107.08601	18.6
107.09303	1.2
109.06516	4.3
109.10164	57.5
110.11965	0.7
111.04433	0.9
111.08083	4.9
116.07188	0.8
117.07039	5.0
117.64801	0.8
119.08597	8.6
119.19954	0.7
121.06506	1.9
121.10153	8.1
123.08095	2.2
123.11715	14.7
123.12577	1.0
125.09628	7.5
127.11185	1.4
129.05493	2.1
129.07013	1.4
131.08577	5.9
131.09354	0.7
133.10136	17.9
133.11067	1.0
135.08122	1.7
135.11694	5.2
137.09654	3.9
139.11276	0.9
143.10628	1.1
145.10167	3.0
147.08095	0.7
147.11722	2.8
149.09645	2.8
149.13295	5.3
151.11200	10.5
153.12810	1.8
153.69673	0.8
155.10641	4.1
157.10138	1.0
159.11736	4.8
161.13310	0.7
163.11168	4.5
165.12865	0.9
169.12285	2.2
171.11719	0.8
173.11742	12.9
173.13162	1.1
175.11147	1.5
177.12816	3.0
181.12289	1.1
183.13835	3.8
184.07330	3.7
187.13348	7.8
189.77126	0.8
191.10690	1.6
193.12337	2.4
195.13835	1.8
198.00659	0.8
199.13434	2.2
201.15018	1.5
209.11761	3.2
211.13354	1.2
225.14883	1.6
227.12892	3.3
229.14377	16.2
243.15970	3.1
255.15923	1.5
257.17538	3.8
265.14310	0.9
267.16046	2.3
269.17511	7.1
270.65826	0.9
278.68613	0.8
283.15414	3.8
285.17102	1.2
293.85968	0.7
301.16568	4.5
301.20212	23.5
312.02798	0.8
335.25916	0.8
350.24237	0.9
367.24799	4.7
397.25882	47.8
398.26184	0.9
399.23767	12.6
411.27545	4.1
423.27411	6.2
425.29483	1.1
433.25845	1.5
435.27496	2.0
443.30118	1.4
451.27002	7.6
455.30072	14.8
469.27939	15.9
477.28754	0.9
483.29547	1.3
495.29742	2.3
503.37466	1.2
527.32312	3.2
539.62433	0.8
545.33203	1.3
567.35339	52.7
568.36194	1.3
572.17981	1.0
581.37128	1.6
593.36804	7.8
625.39496	66.0
626.40027	2.1
660.45166	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	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.5
57.07070	0.8
59.83973	0.5
61.02927	6.2
65.03951	1.2
67.05508	32.8
69.03428	2.1
69.07071	9.8
69.37035	0.6
70.06607	0.6
71.04652	0.6
71.04996	4.2
71.31120	0.5
71.52715	0.9
73.02911	2.8
73.76856	0.5
79.05498	19.4
81.03419	5.8
81.07059	47.1
83.04969	3.6
83.08155	0.8
83.08627	10.4
85.02905	6.7
85.06579	2.9
86.09735	0.6
90.50250	0.6
91.03960	3.5
91.05483	14.4
92.05805	0.6
93.07048	27.7
95.04961	3.6
95.08614	10.1
97.02895	5.0
97.06538	6.2
97.10172	2.5
97.56321	0.6
99.04460	0.8
99.08108	1.6
105.07037	6.3
107.04948	1.8
107.08598	19.0
109.02843	0.7
109.06529	1.0
109.10155	5.3
111.04424	0.7
111.08051	3.6
115.05353	0.6
117.07026	5.2
117.19582	0.6
119.08559	3.2
121.06521	1.8
121.10141	9.7
123.08105	0.6
123.11707	4.3
125.09641	1.3
127.03932	1.4
129.07011	1.3
131.08577	6.0
133.10133	12.0
135.08009	1.3
135.11702	5.6
145.04984	0.8
145.10143	1.5
147.11703	2.0
149.09641	1.0
149.13274	10.0
151.11194	1.9
157.10083	0.8
159.11736	6.4
163.06018	1.1
163.11171	1.3
173.11765	0.8
175.11328	0.7
177.12723	3.2
184.07394	0.6
193.12270	1.3
195.13828	9.3
209.11818	0.9
213.14961	1.1
227.12872	0.7
229.14305	1.3
246.07712	0.8
251.16434	2.4
267.15909	1.9
269.17490	36.7
275.20166	0.7
279.72559	0.6
283.15390	1.7
285.17120	0.6
301.16479	1.1
355.27524	0.7
380.07828	0.7
405.36655	0.8
445.29471	3.6
461.29004	0.7
463.30548	100.0
464.30887	2.5
495.33673	0.8
535.52240	0.6
589.32782	0.7
607.34570	5.1
616.48389	0.6
660.33527	1.3
822.42163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	0.4
57.03445	5.2
57.07070	1.0
59.04993	0.4
61.02935	4.5
65.03940	1.3
66.09083	0.4
67.05513	27.7
69.03430	1.3
69.07076	8.5
69.37572	0.8
69.37971	2.4
71.05004	2.9
73.02911	1.2
79.05502	15.4
81.03428	3.8
81.07068	36.5
83.04991	3.4
83.08631	8.2
85.02440	0.6
85.02917	5.0
85.06541	2.4
91.03979	3.0
91.05492	9.5
93.07055	25.6
95.04977	2.9
95.08615	9.4
97.02927	1.8
97.06545	5.2
97.10165	1.2
99.04474	0.5
99.08099	1.7
105.04565	0.6
105.07055	4.4
107.04963	0.8
107.08607	14.9
109.06514	1.6
109.10166	3.2
111.08103	4.0
115.05468	0.5
116.07133	0.5
117.07023	4.6
119.08612	2.3
121.06525	1.0
121.10158	8.1
123.08131	0.4
123.11720	2.2
125.09654	1.4
127.03925	1.3
129.07027	0.7
131.08603	5.8
132.08760	0.4
133.10164	7.1
135.08069	1.4
135.11723	4.6
139.11249	0.5
143.08598	0.5
145.05005	1.3
145.10130	1.1
147.11703	1.0
149.09698	0.6
149.13268	13.4
151.11201	1.2
153.09012	0.4
157.10132	0.6
159.11720	5.7
163.06108	0.9
163.11218	0.8
173.11870	0.4
177.12761	2.1
189.11287	0.4
193.12227	0.6
195.13828	6.9
195.15517	0.6
213.14902	0.7
227.12846	0.6
229.14397	1.0
246.73297	0.4
251.16531	0.6
267.16000	1.7
269.17505	31.9
270.17908	0.5
283.15509	0.7
413.21576	0.5
445.29385	1.0
463.30603	100.0
464.30917	2.5
495.33426	0.4
511.00549	0.4
543.37469	0.5
607.34705	3.2
631.71979	0.4
822.94226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.2
57.07074	1.0
61.02934	5.4
65.03939	1.5
67.05518	37.2
69.03438	4.0
69.07081	12.6
70.06584	1.1
71.01360	1.4
71.04985	4.4
73.02921	2.7
79.05083	1.5
79.05508	24.6
80.97178	0.9
81.03432	11.1
81.07074	44.0
83.05002	5.7
83.08641	12.4
84.04578	1.2
85.02917	6.3
85.06547	3.3
91.03954	4.4
91.05499	18.9
93.07058	33.9
95.04987	6.7
95.08064	1.5
95.08623	16.6
97.02888	4.2
97.06551	7.7
97.10171	3.4
98.20638	1.1
99.04466	1.0
99.08109	2.2
105.07053	9.4
107.04969	2.9
107.08623	20.1
109.02843	1.1
109.06539	1.8
109.10166	5.9
111.08083	3.0
117.07034	7.2
119.08591	8.5
121.06511	1.4
121.10163	14.3
123.08101	1.4
123.11688	3.0
125.09695	2.3
127.03922	2.7
129.07021	2.3
131.08598	10.3
133.06500	1.3
133.10162	9.6
135.08102	3.2
135.11699	6.6
137.09612	1.2
143.08551	3.8
145.04939	1.3
145.06534	1.2
145.10138	6.7
145.49365	0.9
147.08052	1.8
147.11699	3.5
147.57343	1.0
149.09630	3.3
149.13274	13.9
151.11165	1.6
155.08531	1.3
157.10164	3.0
159.11676	7.8
160.49739	1.0
161.09665	1.6
161.13280	1.2
163.06064	1.7
163.11208	1.4
169.10104	1.0
171.11713	2.4
177.12772	3.7
183.11700	1.9
184.07382	1.9
187.11273	1.3
189.11188	1.5
193.12317	1.6
195.13837	8.1
201.12444	1.1
211.58495	0.9
213.14792	1.2
219.13937	1.1
223.14809	1.0
227.12802	1.8
229.14267	2.4
251.16548	1.6
267.15976	5.1
269.17511	23.0
273.18686	1.7
275.20029	1.3
283.15527	2.6
289.17691	1.1
343.26443	1.1
343.71280	1.1
353.24850	2.5
371.25677	1.6
385.74475	1.0
413.21521	1.3
435.31342	1.4
445.29498	15.7
459.26749	1.3
459.95767	1.1
461.29190	1.1
463.30643	100.0
464.31189	2.3
475.27133	2.0
477.28296	3.2
481.31369	2.1
495.29312	1.1
557.34662	5.1
575.35266	1.8
607.34656	11.9
621.32251	1.3
639.90289	1.1
796.72015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.0
57.07072	1.1
61.02935	6.7
61.41790	0.4
65.03943	1.5
67.05510	33.1
67.17162	0.4
68.08141	0.3
69.03439	2.0
69.06731	0.7
69.07079	9.9
71.04995	3.2
71.08624	0.5
73.02926	2.6
79.05499	21.5
81.03423	8.2
81.07063	42.3
82.07410	0.6
83.04995	4.1
83.08144	0.7
83.08627	9.2
85.02908	8.0
85.06548	2.6
85.82000	0.3
87.04491	0.4
91.03963	4.3
91.04903	0.6
91.05488	16.8
93.07051	30.1
95.04989	5.3
95.08617	13.0
95.09247	0.5
97.02905	4.4
97.06538	6.0
97.10189	2.9
99.04461	1.0
99.08101	1.2
103.05476	0.5
105.04520	0.9
105.06319	0.4
105.07035	9.1
107.04939	1.9
107.08603	18.2
109.02879	0.6
109.06520	2.6
109.10160	4.1
111.04472	1.0
111.08083	4.7
111.11673	0.5
113.09672	0.5
115.05422	0.6
117.07025	7.0
119.08593	5.0
121.06504	2.5
121.10152	9.9
123.08085	1.2
123.11713	3.3
125.06032	0.4
125.09645	1.9
127.03947	2.0
127.07619	0.6
129.07008	3.5
131.08580	8.5
133.06535	0.8
133.09126	0.5
133.10141	10.3
135.08058	2.8
135.11711	5.8
137.09644	0.8
139.11189	1.0
141.06990	0.7
143.08563	2.2
145.04942	1.0
145.06502	0.5
145.10127	3.7
147.08043	1.0
147.11728	2.4
149.09613	1.7
149.13269	14.9
151.11191	1.7
153.07008	0.4
155.08618	1.0
157.10115	2.3
159.08124	0.8
159.11697	8.3
161.09630	0.8
161.13289	0.4
163.06020	1.7
163.11212	1.3
165.12701	0.5
169.10167	1.0
171.10268	0.5
171.11674	0.9
173.09634	0.9
173.11781	0.5
173.13266	0.7
175.11206	1.3
175.53751	0.3
177.12798	2.9
181.10158	0.7
182.56824	0.3
183.11641	0.8
185.13327	0.8
187.14989	0.4
189.11259	0.8
193.12234	2.4
195.11975	0.8
195.13824	7.3
197.13419	0.7
199.11267	0.4
199.14879	0.6
211.80113	0.3
213.14819	0.8
217.15871	0.4
219.13846	0.5
227.12787	1.7
229.14401	1.0
233.15363	0.5
251.16470	1.9
267.15906	5.7
269.17496	23.6
273.18549	1.2
275.20279	0.5
283.15457	0.9
285.17053	0.6
291.19620	1.4
297.16968	0.5
301.16620	0.8
335.23746	0.6
343.26340	0.7
347.21918	0.3
349.23953	0.5
353.24707	1.9
365.23187	0.9
371.25983	1.2
383.24142	0.5
388.71536	0.3
389.26892	0.8
413.21576	0.9
419.23959	0.4
427.28430	0.7
445.29556	12.8
459.27661	1.7
461.28775	0.4
463.30582	100.0
464.30875	2.6
477.28479	2.3
481.31616	1.3
495.29565	0.6
504.08386	0.4
539.33691	1.0
557.34869	3.3
571.32526	0.7
575.35608	2.8
589.33716	1.2
607.34839	9.0
822.45740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.0
61.02931	4.5
65.03945	0.9
67.05508	25.9
69.03426	1.5
69.07070	11.3
70.06600	0.9
71.04977	2.6
73.02915	1.7
73.72334	0.6
79.05496	15.9
81.03429	4.2
81.07061	38.5
83.04983	4.0
83.08624	7.8
85.02920	5.2
85.06538	2.4
91.03954	2.6
91.05486	10.8
93.07047	27.6
93.07637	1.2
94.65570	0.6
95.04972	3.5
95.08614	10.3
97.02871	2.4
97.06544	6.2
97.10123	1.0
98.20715	1.5
99.08082	1.3
105.07038	5.4
107.08603	16.2
109.02882	0.8
109.06525	2.0
109.10161	4.0
111.08088	4.6
115.05444	0.7
117.07032	4.3
119.08561	2.8
121.06482	1.8
121.10149	9.0
123.11693	1.9
125.09631	1.5
127.03890	1.5
131.08588	4.9
133.10127	7.4
135.08058	1.3
135.11722	5.2
139.11224	0.8
145.04996	0.9
145.10136	1.3
146.62122	0.7
147.11693	1.8
149.09526	1.2
149.12076	0.7
149.13261	14.6
151.11224	1.3
155.87669	0.7
157.10150	1.0
159.11722	8.0
161.32495	0.7
163.06012	1.1
167.03642	0.8
175.11108	0.8
177.12794	2.7
195.13811	6.5
213.14876	1.1
236.72395	0.7
246.07768	0.9
251.16385	0.9
267.16028	1.8
269.17499	39.2
283.15463	1.4
349.23849	0.8
358.16309	1.3
365.22855	0.7
445.29388	1.7
463.30566	100.0
464.30832	2.0
557.34320	1.1
593.84229	0.6
607.35211	1.9
660.33429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27759	7.7
61.05044	7.7
61.95318	7.5
64.60413	10.0
67.05509	26.9
71.23606	8.7
71.23949	15.8
79.05478	22.7
81.07065	16.2
85.38839	7.7
91.05467	7.9
91.79259	8.4
92.41933	7.3
93.06995	19.0
95.08593	15.8
107.08572	12.1
109.10140	14.1
147.11723	9.7
147.52661	9.2
164.80597	8.3
172.57846	7.6
183.42290	8.0
184.07208	11.5
187.93555	8.5
261.22256	11.4
270.44064	9.7
274.34778	7.9
317.24741	8.6
335.25848	100.0
499.83978	8.6
545.47363	9.0
595.47168	14.3
613.48053	12.1
820.58191	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	821.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.6
69.03432	1.6
70.06602	0.4
70.37799	0.7
70.38155	0.8
79.05489	0.8
81.03417	1.0
81.07048	0.5
84.04512	0.4
84.08147	0.5
85.02910	1.5
86.09726	0.6
91.05488	1.2
93.07050	0.8
95.04964	0.8
95.08581	0.4
97.02889	1.0
105.07033	0.6
108.08181	0.5
109.02888	0.4
110.09691	0.7
119.04917	0.5
120.08109	0.5
122.06049	0.6
129.10255	0.4
133.10139	0.4
136.07608	0.6
137.39276	0.3
138.09152	0.5
147.04420	2.2
147.07707	0.4
149.13016	0.3
150.97639	0.4
158.09514	0.4
162.05496	1.1
164.07062	0.3
166.08598	0.7
180.08044	0.4
181.07462	0.5
182.08366	0.7
183.09276	0.6
185.04453	0.4
185.07135	0.9
188.04973	0.3
193.07582	0.5
194.09743	0.8
195.09229	2.2
196.09958	3.0
197.10872	0.5
198.11496	0.7
199.08624	0.6
200.09210	0.4
206.08417	0.9
207.09239	1.4
208.07785	0.4
208.09937	1.7
209.10677	1.8
210.07899	0.8
210.11403	0.8
211.08566	2.4
211.12341	1.4
212.09435	3.7
212.10883	2.4
213.10245	2.4
213.13872	0.4
214.11169	0.4
220.09944	0.7
221.07149	0.8
221.10730	2.8
222.07664	0.5
222.09386	0.5
223.08710	1.1
223.12289	1.8
224.09349	2.4
225.10226	2.7
226.10944	2.3
227.08266	0.5
227.11844	1.6
228.08638	1.8
233.10832	0.4
234.07883	0.5
235.08629	4.3
236.07141	0.4
236.09435	6.4
237.07970	0.5
237.10191	6.7
238.11070	2.7
239.08197	0.5
239.11786	7.7
240.12553	1.1
241.09831	4.4
241.13373	43.1
242.13754	0.6
243.11240	0.6
243.14954	0.6
249.06494	0.7
249.10248	14.4
250.08609	1.0
250.10995	5.2
251.08075	0.9
251.11794	5.8
252.08940	1.1
253.09747	2.8
253.13464	0.5
254.06935	0.7
254.10527	1.4
255.11342	0.9
257.12827	0.7
259.14511	3.4
261.10254	0.8
263.08185	7.3
263.11197	0.4
263.11981	0.4
264.08963	9.5
265.09698	2.3
266.10526	4.9
267.11301	16.0
269.12903	0.8
271.10785	2.4
277.09741	15.6
278.10522	6.9
279.08179	0.5
279.11285	14.1
280.11896	0.5
281.09262	4.8
281.12814	1.1
282.09930	0.7
283.10812	0.7
285.12347	9.5
287.05396	0.6
287.13687	0.5
289.09818	0.6
290.10547	0.7
291.07562	1.1
292.08429	25.8
293.09235	1.0
295.10797	1.0
297.12317	1.3
299.13931	2.7
300.11258	0.5
301.11862	1.1
303.13541	0.4
305.09222	33.9
306.09760	1.5
307.10760	7.4
309.08722	0.9
310.09503	19.9
311.13889	0.6
313.11743	1.0
323.10297	13.0
324.11029	0.5
325.11832	4.2
327.13370	0.6
333.08734	5.4
337.11917	0.4
338.12637	2.3
339.13312	1.1
341.11469	0.5
343.12537	0.5
351.09775	33.5
353.11395	0.8
355.12939	1.4
357.14392	0.9
361.14166	0.7
365.11349	1.3
369.10834	12.8
383.12405	100.0
384.12839	2.0
468.67496	0.4
495.14352	0.5
513.15021	3.7
556.13513	0.4
578.21515	0.9
591.22467	9.7
593.24188	0.6
609.23462	15.0
610.23877	0.7
623.25067	0.9
627.24493	1.0
641.25909	1.3
655.26959	2.1
753.91998	0.4
757.15997	0.4
771.28217	1.3
789.30048	0.6
821.37024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
57.07084	0.9
59.04993	1.3
65.03931	1.8
67.05509	41.9
69.03430	6.9
69.07072	13.7
70.67467	0.7
70.67786	1.1
71.05003	1.3
79.05498	39.2
81.03424	1.5
81.07063	36.4
83.04990	4.0
83.08627	26.0
83.09123	1.4
85.02913	1.0
85.06524	1.6
91.05488	35.9
93.07048	26.7
95.04962	2.7
95.08611	17.0
97.06525	1.7
97.10175	56.1
101.09650	1.4
103.05466	1.8
103.40501	0.6
104.06261	1.1
105.04518	1.0
105.07037	11.3
107.04945	2.7
107.08601	30.3
109.06518	1.8
109.10165	13.4
111.08070	2.6
115.05445	5.1
116.06231	1.3
117.07022	23.3
119.04891	1.0
119.08588	57.6
121.06519	2.4
121.10159	9.4
123.08068	1.0
123.11717	2.7
125.09636	52.4
128.06287	1.4
128.27306	0.7
129.07002	2.9
131.08569	9.3
133.06479	0.9
133.10127	6.0
135.08060	10.0
135.11690	5.5
137.09637	1.4
141.06920	1.5
143.08583	6.2
143.10680	1.9
145.06493	23.4
145.10156	6.5
147.08046	4.4
147.11679	3.3
149.09601	1.1
149.13263	2.9
153.09158	5.4
155.08582	3.4
157.10129	2.5
159.08047	7.8
159.11720	3.0
161.09648	2.3
161.13269	2.4
163.07532	2.1
163.14844	1.5
167.08571	0.9
169.10132	2.6
171.10167	6.2
171.11612	0.9
173.09680	3.4
173.13281	2.5
175.14876	0.8
181.10095	1.0
183.08096	0.8
183.11661	1.6
184.07352	1.4
185.09578	0.9
187.14870	1.1
189.11230	31.5
215.14392	1.1
225.16379	2.4
227.12791	100.0
228.13152	1.1
235.14876	1.5
243.17445	2.9
243.21173	2.6
245.13841	1.6
253.15845	3.0
261.22153	13.9
271.16943	55.6
275.20114	0.9
289.18002	14.6
317.24496	0.9
325.10028	0.7
327.19571	1.6
335.25821	29.7
345.20633	13.1
363.21652	20.2
389.18149	0.8
413.30743	1.1
415.76193	0.7
487.34180	5.3
505.35156	11.7
506.36978	0.7
605.42175	25.9
605.52094	1.3
606.42542	0.8
623.43085	59.4
624.43182	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	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.3
57.07069	2.2
59.05008	1.2
65.03925	3.4
67.05509	60.9
69.03443	6.5
69.07072	16.3
70.67482	2.1
70.67831	0.9
71.04996	2.3
77.03926	1.2
79.05499	56.4
81.03379	1.1
81.07060	52.1
83.04977	5.1
83.08624	30.2
85.06513	2.3
85.27560	0.8
86.09708	1.5
87.04433	1.2
90.22479	0.8
91.04897	1.7
91.05485	47.3
93.07050	49.0
95.04991	5.1
95.08609	33.0
97.06527	1.7
97.10178	62.7
99.08070	1.6
103.05479	2.6
105.04496	1.2
105.07043	20.9
107.04956	3.5
107.08601	42.1
108.07959	1.0
109.06532	3.0
109.10164	17.5
111.08072	3.9
115.05444	5.5
117.07024	29.1
119.08589	65.4
121.06490	2.4
121.10151	18.0
123.08051	2.3
123.11686	3.1
124.03259	0.9
124.99998	1.3
125.09637	58.0
128.06219	2.6
129.07057	4.6
131.08578	16.7
133.06488	1.4
133.10132	9.9
135.08073	11.9
135.11678	11.5
137.09659	1.6
141.06989	4.0
142.07854	1.2
143.08574	9.3
143.10649	1.6
145.06497	28.3
145.07639	1.4
145.10158	10.2
147.08057	5.9
147.11714	5.5
149.09630	1.7
149.13298	5.9
153.09142	5.7
155.08546	3.9
157.10120	5.6
159.08055	10.7
159.11694	5.9
161.09631	3.0
161.13232	3.0
163.07526	3.3
163.14783	2.6
169.10106	3.1
171.07927	1.0
171.10156	6.6
171.11574	1.6
173.09663	4.1
173.13242	4.4
175.14737	1.4
176.45743	1.0
181.10002	0.9
183.11729	1.1
184.07350	4.8
187.11194	1.6
187.14850	2.7
189.11230	36.4
189.16196	1.2
193.10115	1.1
197.13268	2.1
211.14821	1.1
215.14342	5.3
225.16437	2.0
227.12791	80.8
233.22688	1.1
243.17427	3.9
243.21178	6.3
245.13792	3.2
253.15791	2.6
261.22162	22.1
271.16937	57.8
289.18018	16.7
317.24857	4.2
327.19482	3.1
333.24432	1.0
335.25818	65.4
345.20657	17.3
363.21686	25.1
413.30624	1.2
431.31610	2.1
487.34238	7.0
505.35269	45.6
605.42004	45.3
623.43066	100.0
624.42938	4.1
649.39001	1.2
807.52039	1.2
817.16394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
57.07082	0.4
61.02938	2.8
64.70444	0.4
65.03952	0.4
67.05510	11.4
69.03429	3.0
69.07082	3.1
69.71216	0.3
70.32609	1.1
71.04984	0.9
73.02917	0.9
76.58752	0.5
77.17571	0.3
79.05499	10.6
81.03414	2.4
81.07065	10.0
83.04968	1.9
83.08625	8.7
85.02913	4.1
85.06538	0.7
86.42476	0.3
91.03984	2.1
91.05486	10.9
93.03391	0.3
93.07054	6.2
95.04969	1.9
95.08618	3.9
97.02915	2.4
97.06561	1.0
97.09549	0.7
97.10181	14.8
103.05467	6.0
105.03420	0.4
105.07040	8.8
107.04975	2.5
107.08611	7.3
109.02877	0.5
109.06550	1.2
109.10184	2.8
111.08102	1.3
115.05488	2.7
116.06260	0.5
116.90005	0.3
116.96597	0.4
117.07028	18.3
119.04951	0.9
119.08595	5.3
121.06511	1.1
121.10204	1.9
123.08085	1.2
125.09644	13.6
126.09916	0.4
127.03944	0.6
127.36322	0.4
128.06261	0.9
129.07021	7.3
131.04942	1.1
131.08575	11.6
133.06509	3.4
133.10109	2.2
135.08090	2.9
137.09624	0.6
139.98479	0.4
141.07013	3.3
142.07802	0.4
143.08577	4.6
143.10736	0.5
145.04976	0.7
145.06506	3.9
145.10141	4.7
147.04430	0.6
147.08075	1.5
147.11655	0.8
148.21704	0.4
149.09633	1.5
153.07057	0.7
153.09128	1.3
154.07805	0.8
155.08562	5.8
156.09337	0.4
157.06523	2.1
157.10139	1.8
159.08066	2.0
159.11729	1.5
161.09598	0.5
161.13252	0.4
163.06085	0.6
163.11205	0.7
165.07007	0.6
167.08693	1.7
167.51189	0.4
168.09306	0.6
169.10144	4.0
171.08075	1.8
171.10222	1.3
171.11726	2.6
173.09613	0.7
173.11844	0.5
173.13271	1.1
179.08551	0.6
181.10188	1.1
182.10945	0.6
183.08131	0.6
183.11760	1.0
185.09621	0.9
185.13287	1.5
187.11115	0.6
187.14850	5.0
189.11226	6.6
189.12738	0.6
193.10123	0.6
195.11703	1.4
197.13264	5.3
199.11148	1.2
199.14972	0.6
201.12836	0.6
203.14537	0.4
207.11626	0.8
209.13257	1.2
211.14862	0.5
213.12747	1.9
215.14339	19.5
219.11803	0.7
221.13304	0.8
223.11247	0.8
223.14925	0.6
225.12643	0.5
227.12775	11.4
227.14891	0.7
231.13745	0.7
233.15392	1.2
235.14948	0.4
237.12808	1.2
239.14368	0.6
241.12190	0.9
243.13791	0.4
245.13844	0.8
251.14453	0.8
253.16013	0.5
255.13821	0.5
257.15540	0.8
259.13379	0.5
267.16098	0.5
269.15503	1.0
271.16876	0.9
289.18124	0.5
321.22083	1.0
331.20151	0.4
339.23239	1.6
349.21741	3.4
367.22760	6.5
385.23737	5.1
403.24823	1.4
416.53329	0.4
441.26404	39.6
442.26578	1.0
459.27454	100.0
460.27759	2.5
477.28552	12.0
603.31561	1.0
621.32977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.7
57.07057	1.5
65.03919	1.4
66.89770	0.9
67.05510	32.3
69.07076	9.8
71.01905	1.5
71.02237	1.7
71.04971	2.4
74.89079	1.0
79.05497	29.8
81.07062	27.9
82.35286	0.9
83.04980	2.3
83.08626	4.9
85.06554	1.1
87.51591	0.9
91.05488	29.9
92.34233	1.0
93.07055	26.1
95.04983	1.4
95.08069	1.8
95.08613	20.7
96.28947	1.0
97.06507	1.5
97.10174	1.1
105.07037	36.4
107.04946	1.8
107.08603	16.1
109.06509	2.0
109.10166	9.2
115.05455	1.5
117.07037	9.7
119.08595	28.3
121.06512	1.2
121.10159	11.2
123.08091	2.4
123.11694	2.3
129.07004	2.7
131.08575	13.8
133.10136	29.4
135.08057	2.5
135.11697	5.6
137.09630	2.9
141.07016	1.6
143.08563	2.7
144.09413	1.0
145.10155	10.0
147.08067	1.5
147.11697	14.2
149.09625	3.8
149.13284	1.4
155.08566	1.3
157.10114	3.1
159.11690	7.2
160.03703	0.9
161.13231	5.3
163.11188	1.9
169.10089	2.1
171.11607	1.8
173.11996	1.2
173.13275	6.6
187.11194	1.0
187.14743	2.1
187.64642	0.9
189.12837	1.1
195.73618	0.9
197.13245	1.3
223.76915	1.0
229.19514	1.5
239.17940	1.3
247.20651	2.0
257.18982	3.3
275.20087	47.4
335.25830	44.4
349.23761	19.3
609.45172	100.0
610.45245	2.4
657.77789	1.1
665.50787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.2
57.07078	1.1
60.59649	0.5
61.65509	0.5
65.03936	1.9
67.05510	32.1
69.03435	1.3
69.07072	15.1
69.14521	1.3
69.14940	4.2
71.04993	1.2
73.06574	0.7
77.56239	0.5
79.05497	26.6
81.03429	2.2
81.07060	43.2
83.04977	2.9
83.08633	4.7
83.16827	0.5
85.02890	0.6
85.06574	1.2
86.09721	1.0
91.05487	22.9
93.07050	25.7
95.01324	3.8
95.04980	3.5
95.08614	26.7
97.06534	7.7
97.10172	1.6
99.08104	0.6
103.05509	0.8
105.04551	1.0
105.07034	31.6
107.04955	5.3
107.08603	13.3
109.06525	6.9
109.10162	8.9
111.08083	0.8
115.05415	0.6
117.07027	5.9
119.08589	17.4
121.06555	1.4
121.10153	9.1
123.08089	2.2
123.11720	2.2
125.00077	0.7
125.09666	0.8
129.07013	1.5
131.08578	9.8
133.06429	0.6
133.10143	17.8
135.08075	1.9
135.11711	4.6
137.09633	2.2
141.07010	0.7
143.08601	0.9
145.10126	8.2
145.11182	0.8
145.73843	0.6
147.08095	0.7
147.11682	7.2
149.09634	2.2
149.13234	3.8
151.11226	1.4
155.08546	1.2
157.10187	1.7
159.11725	4.2
161.13268	3.2
163.11211	1.9
163.14824	0.7
165.12759	0.6
169.10181	0.9
171.11688	1.0
173.13264	2.8
177.12788	1.1
179.14305	3.8
183.11742	0.8
184.07367	2.0
187.11235	1.0
187.14810	0.7
197.13316	0.6
219.17424	3.2
229.19617	0.8
247.20715	0.9
257.19113	2.1
261.22171	1.3
275.20084	29.0
276.20633	0.7
279.15997	0.6
280.89163	0.7
293.21228	1.7
335.25818	57.4
336.26147	1.1
349.23734	19.1
362.50464	0.5
415.38477	0.5
609.45160	100.0
610.45581	2.1
627.46234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49336	0.8
57.03442	4.7
57.07061	1.8
65.03938	1.3
67.05508	37.9
69.03421	1.3
69.07075	12.4
69.15834	7.7
71.04992	1.8
77.03917	0.8
79.05497	31.6
81.03422	0.9
81.07061	36.7
83.04999	5.9
83.08627	6.6
85.02933	0.9
85.06555	1.4
91.05485	32.1
93.07049	33.7
95.04987	3.4
95.08611	27.5
97.06535	2.6
97.10171	2.9
98.20726	1.8
99.08068	1.2
103.05479	1.4
105.04507	1.0
105.07036	37.3
107.04971	3.5
107.08596	19.7
109.06496	3.9
109.10150	8.4
111.08106	1.4
115.05509	1.0
117.07022	8.6
119.08586	36.1
121.06541	3.0
121.10147	13.4
123.08064	1.7
123.11734	1.9
125.09633	1.1
129.07027	1.1
130.07799	1.0
131.08571	14.4
133.06627	1.2
133.10147	21.9
135.08075	3.2
135.11702	7.6
137.09656	1.8
141.06964	1.5
143.08588	2.4
145.10127	11.5
147.11694	6.9
149.09608	6.5
149.13312	3.2
157.10172	2.1
159.11710	7.1
161.13252	3.1
163.11160	0.8
163.14876	1.3
169.10110	1.0
171.11751	2.2
173.13310	2.6
175.14873	0.9
177.12689	1.1
183.11696	1.3
184.07394	2.7
187.14845	0.8
193.12300	1.0
209.15454	0.9
215.18001	1.0
219.17493	2.9
229.19510	1.7
239.17908	1.5
247.20639	1.6
257.19028	5.5
261.22269	1.4
275.20078	40.6
331.22601	1.7
335.25821	56.6
336.26498	1.1
349.23734	31.4
407.92407	0.8
591.43927	1.1
593.62030	0.8
609.45166	100.0
610.45648	4.1
617.43536	1.2
627.46039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.6
57.07048	1.9
61.02919	1.9
67.05511	21.8
69.07059	5.7
71.01595	2.6
73.02944	1.4
73.04630	1.3
79.05496	12.1
81.07069	19.2
83.08637	3.6
85.02921	2.2
91.05495	9.0
93.07043	15.2
95.08614	19.3
97.02895	2.8
105.07037	6.6
107.08588	10.2
109.10159	7.9
117.07072	1.6
119.08585	6.4
121.10181	7.7
123.11690	3.0
131.08566	3.0
133.10126	7.1
135.11700	8.3
145.10117	4.0
147.11681	4.3
149.13260	3.4
159.11748	4.0
161.13306	3.1
163.14796	3.4
168.74146	1.3
173.13264	4.7
175.14844	1.8
177.16382	1.7
243.21173	4.5
259.20563	5.3
261.22156	14.9
317.24738	2.1
333.24326	2.6
335.25797	100.0
336.26031	2.1
337.27344	4.0
595.47180	16.0
613.48029	8.7
623.49872	1.6
806.56708	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.6
57.07074	5.3
65.03951	5.8
67.05512	97.6
69.03437	2.9
69.07083	26.8
70.68346	6.7
71.08643	3.0
73.01009	2.3
78.29009	2.3
79.05021	2.2
79.05501	86.3
81.07064	96.2
83.04980	5.7
83.08638	16.6
85.06540	2.8
91.04900	4.2
91.05487	87.9
93.07055	100.0
95.04980	9.0
95.08618	73.7
97.06518	5.3
97.10160	5.6
99.08112	4.1
103.05482	2.7
105.04523	4.2
105.07042	80.3
107.08613	46.6
109.06528	5.1
109.10162	26.6
111.08120	4.6
117.07026	32.0
119.08591	65.9
121.10150	37.3
123.08092	4.3
123.11739	7.6
129.06995	12.0
130.07727	2.7
131.08583	28.7
133.10143	50.0
135.11722	29.3
137.13213	3.4
141.06995	3.4
143.08603	10.8
145.10132	27.9
147.11711	39.8
149.09625	4.1
149.13266	15.5
155.08595	3.4
157.10149	9.8
159.11723	25.8
161.13264	25.2
163.11235	2.9
163.14873	6.6
171.11713	10.4
173.13269	17.8
175.14845	12.7
177.12929	2.8
181.10117	2.6
183.11749	5.7
184.07399	5.5
185.13266	10.3
187.14890	3.4
197.13309	3.2
199.14848	6.8
213.16486	4.2
215.18129	3.1
225.12625	2.7
227.17960	2.4
231.21277	7.0
241.19576	23.1
243.21217	4.8
253.78654	2.7
257.19031	8.4
259.20618	59.3
261.22238	12.2
315.23212	6.2
333.24283	53.1
333.28192	3.5
335.25827	92.2
336.26132	4.7
337.27344	6.6
351.25320	2.3
462.21194	2.7
519.41956	4.8
537.43256	4.0
550.78778	2.6
593.45807	13.3
611.46771	65.3
658.53204	3.0
715.62823	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	21.2
57.07050	3.8
61.02915	3.1
61.25130	2.5
65.03927	4.0
67.05508	84.3
69.03423	3.1
69.07082	18.6
71.04984	3.8
71.52523	3.2
78.80450	2.5
79.05492	63.0
80.02797	3.0
81.06597	4.6
81.07058	85.1
83.04966	6.9
83.08620	14.5
85.02887	3.3
85.06562	4.7
91.05483	51.1
93.07044	73.9
95.04974	7.0
95.08610	69.4
97.06517	9.9
97.10147	6.3
105.04475	2.9
105.07039	41.6
107.08595	44.8
109.06469	4.7
109.10165	25.2
111.08085	3.9
117.07019	13.8
119.08591	31.5
121.10142	35.7
123.11719	7.4
129.07042	4.1
131.08557	24.8
133.10123	29.1
135.08109	3.6
135.11691	22.7
137.13333	2.9
143.08546	7.2
145.10121	17.2
147.11665	20.3
149.13232	8.5
151.11113	2.6
157.10161	3.9
159.11681	13.3
161.13268	13.0
163.11176	3.6
163.14764	4.1
170.12558	2.6
171.11699	5.0
173.13264	10.1
175.14819	4.5
184.07338	6.0
185.13254	5.4
187.14833	10.2
199.14844	4.7
231.21068	2.6
241.19560	7.2
243.21037	3.9
248.88799	2.6
259.20557	18.2
261.22141	8.7
277.21677	17.7
333.24289	18.8
335.25809	100.0
336.25745	2.6
337.27002	3.0
349.23755	4.2
351.25327	38.3
401.12872	2.5
529.38818	3.8
593.45502	3.0
611.46771	46.5
808.51953	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	809.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
61.02932	4.0
67.05507	6.8
69.03429	3.6
69.07057	1.4
71.04992	2.2
71.52596	1.1
73.02927	2.7
77.58434	0.6
79.05495	4.5
81.03413	4.2
81.07060	6.2
83.05009	1.2
83.08631	1.8
85.02902	5.0
85.06551	0.9
86.09713	0.9
87.04483	1.1
91.03979	2.2
91.05493	5.5
93.07046	4.1
95.04982	1.7
95.08610	3.9
97.02908	3.9
99.04480	1.3
101.02393	1.6
105.07053	2.7
107.04971	1.0
107.08614	3.3
109.02952	0.7
109.06546	2.1
109.10175	1.8
111.08108	1.2
117.07033	1.2
119.08609	2.3
121.06581	0.8
121.10165	2.1
123.08073	1.0
129.07077	1.7
131.08600	2.3
133.10141	3.0
145.37724	0.6
147.08118	0.7
147.11705	1.7
149.09639	2.2
149.13248	0.8
151.11259	0.8
157.10197	2.1
163.11234	0.8
175.11220	1.5
184.07387	0.7
185.04193	0.7
193.12346	2.1
243.08400	3.0
267.15982	1.0
273.18808	0.6
273.70999	0.8
283.15222	3.9
285.29471	0.6
300.45142	0.6
309.16901	0.7
313.17908	1.0
331.18851	2.5
334.50980	0.6
339.18030	0.9
352.58759	0.6
451.19534	1.9
501.23056	12.1
531.25757	2.5
549.27118	3.1
573.25806	1.4
639.30310	2.0
711.35840	1.8
791.41949	7.5
809.42847	100.0
810.43335	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	811.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.0
58.99588	6.1
67.05489	0.6
68.05000	1.3
69.07032	1.0
69.97429	0.9
70.02940	0.5
70.40250	0.4
73.01110	0.9
74.00641	1.1
74.02466	0.5
76.02229	15.7
76.03968	1.4
79.05482	2.5
80.05010	0.6
81.07056	12.9
82.06549	0.4
83.06098	1.2
83.08602	0.4
84.04507	15.5
84.08125	0.8
85.01127	2.6
86.00649	3.0
86.99049	4.4
87.02689	4.9
88.02227	1.7
93.07041	0.3
94.06559	0.4
94.19292	0.4
95.04960	0.4
95.08606	2.7
96.08122	0.5
97.01115	0.5
97.06509	1.5
98.09702	11.3
99.05557	0.8
99.08089	3.6
100.54874	0.3
101.00596	0.6
102.05554	3.6
105.07017	0.6
110.09691	1.9
112.03971	3.0
113.04230	6.2
114.03746	0.7
115.05795	1.7
116.01680	17.6
122.09640	1.5
123.08036	0.9
127.05814	0.9
129.06572	3.3
129.07372	0.9
130.04999	6.1
130.06853	4.1
130.08609	1.7
136.07533	0.4
139.05745	1.7
142.03253	1.9
142.05011	0.8
143.02728	1.1
144.01154	7.4
145.06055	1.3
156.08411	18.2
156.10187	12.5
156.11482	0.6
157.05589	0.7
157.06836	9.2
157.08096	0.5
159.75499	0.3
161.02232	0.4
162.02205	21.5
170.02768	1.0
174.09494	8.5
179.04855	6.0
184.07919	0.5
187.05322	0.6
188.03809	1.0
189.03305	1.4
210.11188	1.7
213.10559	0.6
215.04869	1.1
216.06903	6.9
233.05865	2.0
242.08450	1.1
259.11124	100.0
260.09259	0.7
260.11624	0.9
277.12183	6.4
285.12656	3.0
308.09143	1.1
313.12247	2.6
331.13257	5.9
388.15384	3.9
389.13943	0.5
406.16440	72.4
407.16748	1.4
443.41129	0.4
451.87274	0.3
487.22101	0.4
554.32446	0.3
619.43347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.05021	0.7
61.02933	4.5
65.03955	0.4
65.72330	0.3
66.80692	0.3
67.05506	4.9
68.65599	0.3
69.03436	2.9
69.07069	2.9
70.64056	1.0
71.01356	0.4
71.05008	1.7
73.02914	3.2
79.05503	3.9
81.03426	4.1
81.07054	4.3
83.04995	0.9
83.08636	1.1
85.02909	4.2
85.06532	0.4
91.03969	2.2
91.05487	3.4
93.07050	3.8
95.04981	1.9
95.08606	2.6
96.83114	0.3
97.02889	3.8
97.06551	1.1
97.10188	0.4
99.04476	0.8
101.02350	1.6
103.03997	0.4
105.07039	2.9
107.05000	0.7
107.08636	2.1
109.02884	0.7
109.06561	0.9
109.10188	0.9
111.04408	0.3
111.08067	0.6
117.07041	0.4
119.08588	1.5
121.10134	2.2
123.08089	0.6
125.09667	0.6
127.03952	1.3
129.05464	0.4
129.07001	0.6
131.08600	2.1
133.10114	2.0
135.11743	0.6
137.09694	0.4
144.84653	0.3
145.10147	0.7
147.11726	1.4
149.02321	0.3
149.09625	1.6
151.11258	0.4
157.10188	1.0
159.11714	0.4
159.23573	0.3
163.11169	0.5
175.11238	1.1
184.07402	1.1
185.04340	0.7
193.12344	1.2
203.05400	0.4
225.14958	1.0
241.06854	0.4
243.08418	4.1
251.12689	0.3
267.15973	0.8
283.15186	4.0
315.09949	0.4
333.20380	2.2
339.17941	1.3
349.19965	0.7
389.23096	0.7
413.18314	0.4
439.19586	1.1
441.20880	0.3
453.21216	1.3
469.20743	0.8
501.23080	13.8
551.28241	7.1
567.28107	0.4
713.36920	0.4
721.38019	1.7
743.37561	0.4
811.44482	100.0
812.44275	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	811.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
61.02931	5.3
63.25486	0.7
67.05508	7.3
69.03439	4.0
69.07066	2.2
70.68623	1.9
71.71432	0.6
72.00161	0.6
73.02928	3.6
79.05482	4.1
81.03425	2.4
81.07063	7.5
83.08654	0.6
85.02915	5.5
85.09573	0.6
86.09702	1.3
87.04506	1.1
91.03941	3.1
91.05494	4.5
93.07043	4.9
95.08604	4.7
97.02897	3.8
99.04475	0.8
101.02362	1.0
105.07065	3.1
107.08609	2.3
109.02885	0.8
109.10158	1.3
117.07003	1.1
119.08562	1.5
121.10174	2.3
125.00003	0.6
127.03937	0.9
131.08531	1.4
133.10175	0.9
135.11720	1.1
138.72052	0.8
161.13306	0.6
175.51056	0.6
179.88333	0.7
184.07339	3.0
185.04381	0.7
239.16597	0.7
243.08472	2.9
315.19345	5.8
371.21982	1.6
459.06766	0.8
519.29388	7.7
533.27155	5.3
640.69000	0.8
811.49677	100.0
812.49890	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	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.6
60.08168	5.7
67.05494	0.4
69.07067	0.2
69.51293	1.1
71.07378	3.4
79.05463	0.3
81.07051	0.4
86.09711	30.9
90.25092	0.2
93.07065	0.2
95.08617	0.2
97.39704	0.2
98.98473	3.1
104.10751	2.4
107.15285	0.2
116.50703	0.2
125.00014	19.8
137.65610	0.2
173.22762	0.2
184.07352	100.0
185.07718	0.5
457.35074	0.2
495.94250	0.2
549.80841	0.2
550.31659	0.2
553.05011	0.2
720.98151	0.2
794.52582	0.3
812.54364	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	814.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82622	0.1
57.64378	0.1
58.06639	0.4
60.08167	5.8
67.05513	0.1
70.57865	0.2
71.07375	3.4
71.07757	0.2
76.95168	0.1
79.05502	0.1
81.07058	0.3
86.09708	29.4
87.05926	0.1
91.96416	0.1
93.07043	0.1
98.02309	0.1
98.98466	3.3
103.64256	0.1
104.10750	2.5
125.00009	19.7
134.91811	0.1
143.01111	0.1
166.02570	0.2
184.07346	100.0
185.07703	0.7
207.30119	0.1
293.73114	0.1
502.32028	0.1
505.39343	0.1
655.14246	0.1
714.47028	1.4
796.54724	1.2
814.42462	0.2
814.55914	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	816.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.2
57.76566	0.1
58.06638	0.5
60.08167	6.1
67.05504	0.3
67.71323	0.1
69.07076	0.2
71.07378	3.4
79.05472	0.1
81.07059	0.3
83.08661	0.1
84.08135	0.1
86.09709	29.7
87.10052	0.1
91.05491	0.2
93.07037	0.2
95.08618	0.2
96.65038	0.1
98.98466	3.2
104.10750	2.9
125.00011	21.2
143.66849	0.1
166.02707	0.3
184.07347	100.0
185.07718	0.8
209.85091	0.1
462.67139	0.1
504.34253	0.1
552.32770	0.1
572.21790	0.1
596.81732	0.1
601.15039	0.1
626.57141	0.1
716.48615	1.3
758.42682	0.2
780.55182	0.1
798.56427	1.1
816.57477	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	817.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
61.02932	1.7
61.33139	0.3
65.03953	0.8
67.05499	1.1
69.03430	93.7
70.03775	0.3
71.01354	2.9
71.05008	1.9
71.52655	0.3
71.53104	0.4
73.02915	2.4
73.16404	0.3
79.05485	0.5
81.03420	10.9
83.01342	1.7
83.04978	0.3
85.02907	50.9
87.04473	1.8
91.05468	3.5
93.03405	0.7
95.01341	0.4
95.04974	1.6
97.02895	20.3
99.00820	10.8
99.04456	5.5
101.02376	3.2
103.03963	0.5
105.03412	0.3
107.04958	8.8
109.02882	26.2
110.03198	0.3
111.04420	0.7
113.02356	0.3
115.03265	0.3
115.03944	1.7
115.05464	0.4
117.01855	4.6
117.03338	0.4
119.04953	7.0
120.05756	0.5
121.02867	3.5
121.06550	0.8
123.04443	3.1
125.02373	1.3
127.03918	100.0
128.04262	0.4
131.04904	0.7
135.04417	3.8
136.01547	0.5
137.02347	6.5
139.03909	3.3
143.03436	0.7
145.04964	44.7
147.04401	5.2
149.02344	5.0
151.03906	0.9
153.06998	0.4
155.03381	0.8
155.08565	0.6
158.97513	0.3
159.04428	0.4
163.03920	4.2
163.06091	0.4
165.01825	0.4
165.06998	2.5
167.03403	16.4
169.05000	0.8
173.02348	0.8
175.03787	0.4
177.05499	0.5
179.03351	0.7
179.08543	1.0
181.05005	0.7
181.06512	0.5
183.02826	0.7
183.08069	4.1
185.04460	68.8
187.03922	0.7
189.05431	0.7
189.06978	0.8
191.03395	1.0
193.04990	0.4
195.02919	0.8
197.04465	3.3
201.05588	0.3
203.03378	0.9
207.06238	0.6
207.08043	6.1
209.04457	12.2
211.07504	3.2
212.08153	0.3
215.03525	0.4
217.06555	0.6
217.34320	0.4
218.07254	0.4
219.08063	0.5
221.04295	2.1
221.06270	0.4
225.03967	3.7
225.07335	0.3
228.07857	1.3
229.08598	14.8
234.06667	0.5
235.07570	11.5
239.06996	1.0
241.08623	0.5
243.05009	4.4
247.07674	0.5
251.05299	2.4
253.08815	7.3
261.03421	0.5
261.06070	9.4
263.07132	19.8
264.07697	0.7
265.08563	0.8
267.06473	0.4
275.05438	0.6
281.08130	26.0
282.08597	0.5
291.06500	6.4
291.09668	0.3
293.06546	1.6
295.06271	0.4
299.07629	5.1
309.07547	33.0
310.08002	0.8
311.07684	1.4
327.08725	7.0
329.08569	0.4
337.10852	0.4
339.07178	0.6
359.09610	1.1
369.07773	0.7
377.16830	0.3
387.09128	1.7
405.10284	26.4
453.11554	1.1
463.55051	0.4
471.12863	6.6
655.83655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.2
59.05010	0.3
61.02932	1.7
65.03944	0.9
65.43875	0.3
67.05502	1.0
68.99795	0.6
69.03429	95.1
70.06614	0.4
71.01362	2.2
71.04993	2.0
71.11293	0.6
73.02917	2.1
79.05511	0.5
81.03418	11.6
83.01342	1.9
83.04996	0.7
84.04518	0.3
84.50107	0.3
85.02905	50.1
87.04481	1.8
91.05493	3.3
93.03420	0.6
95.04962	2.2
97.02892	19.7
99.00816	10.5
99.01467	0.5
99.04449	5.5
101.02386	3.0
103.03957	0.8
107.04953	8.6
109.02881	26.6
111.04462	1.0
115.03912	1.5
117.01856	5.5
119.04947	7.2
120.05732	0.6
121.02885	3.3
121.06509	0.8
123.04443	3.9
125.02342	1.6
127.03917	100.0
128.04257	0.6
131.04916	0.7
135.04414	3.7
136.01607	0.9
137.02339	7.0
139.03908	3.1
143.03404	0.8
145.04961	43.1
147.04408	5.8
149.02330	5.4
151.03888	0.8
153.07025	0.5
155.03381	1.2
155.08553	1.0
159.04431	0.4
161.06020	0.8
163.03914	4.2
165.07010	2.2
167.03404	15.3
168.06580	0.4
169.04980	0.8
173.02367	1.0
173.05908	0.4
175.03941	0.4
177.05524	0.6
178.07713	0.3
179.03363	0.8
179.08514	1.2
181.05006	0.5
183.02908	0.6
183.08054	3.4
185.04456	70.1
186.04805	0.7
187.03967	0.6
187.05940	0.3
189.05545	0.6
189.06984	1.2
191.03392	1.2
193.04903	0.5
193.06485	0.9
195.02907	0.6
195.08057	0.3
197.04471	2.8
197.06087	0.5
203.03365	1.3
205.04884	0.6
207.06239	0.5
207.08057	5.9
209.04463	11.3
211.07532	3.2
215.03362	0.4
215.07104	0.3
217.06606	0.5
221.04253	1.5
223.05830	0.4
225.03896	3.2
225.07326	0.4
225.09236	0.4
227.05289	0.5
228.07854	1.0
229.08607	14.6
233.04340	0.6
235.07579	12.0
239.07013	0.9
241.08672	0.7
243.04987	3.8
245.06047	0.4
247.07544	0.8
251.05391	2.5
253.08824	7.4
261.06058	10.6
263.07138	20.2
264.07724	0.6
265.08566	1.0
267.06332	0.5
275.05417	0.8
281.08124	28.3
282.08475	0.5
289.03687	0.3
291.06479	7.1
292.07062	0.7
293.06680	1.4
299.07593	6.1
309.07538	32.2
310.07687	0.5
311.07660	1.4
327.08694	7.3
329.08701	0.8
339.07074	0.5
355.11841	0.6
359.09570	1.1
369.08215	0.7
387.09155	1.9
405.10272	29.7
406.10483	0.5
410.49716	0.3
435.10828	0.4
453.11832	1.4
471.12900	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	1000.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.4
71.01330	0.5
71.04971	0.9
71.53138	0.4
73.02899	0.5
76.02230	33.6
76.03999	2.0
77.03908	0.3
79.05074	0.5
79.05496	6.8
80.05026	0.7
81.03419	31.8
81.07058	5.4
83.04980	1.8
83.06087	0.4
83.08617	7.4
84.04503	8.5
84.08135	0.6
85.02892	1.3
85.04018	1.3
85.06551	0.4
86.99055	1.4
88.02206	0.8
89.03909	0.8
91.05485	9.8
92.01718	0.5
93.07051	4.6
95.01347	0.3
95.04972	10.7
95.08616	2.5
97.01103	0.4
97.02895	1.8
97.06517	0.9
97.10152	1.7
99.04493	0.3
99.05608	0.4
102.05555	0.7
105.07033	4.9
107.04964	5.0
107.08587	2.7
109.02878	0.7
109.06506	4.2
109.10150	0.9
110.07155	0.5
111.04433	0.9
111.08083	3.4
114.03765	0.4
115.05454	1.1
116.00896	0.5
116.01684	10.2
117.03378	0.9
117.07014	1.2
119.04951	4.9
119.08582	5.9
121.02856	0.4
121.06516	3.1
121.10151	3.4
123.04423	1.3
123.08099	1.5
125.09633	1.9
127.03921	1.8
128.06181	0.3
128.76453	0.3
129.07024	4.2
130.05011	7.1
130.30444	0.3
131.04527	0.6
131.08592	4.4
133.06526	1.5
133.10130	2.1
135.04428	2.6
135.08034	1.0
135.11687	0.6
137.05965	0.4
137.09624	0.9
139.03912	0.5
139.11150	0.5
141.04851	0.4
141.07037	0.4
142.03235	4.9
142.07773	1.4
143.08583	0.3
144.01144	6.5
145.02852	1.7
145.06256	0.5
145.10156	1.0
147.04419	25.6
147.08018	1.5
147.11693	3.7
149.02336	0.8
149.09615	2.9
156.06615	0.5
157.10130	5.5
159.11639	0.4
160.00706	0.4
161.09599	0.5
162.02208	21.4
163.03905	17.6
163.11151	0.9
165.05499	0.4
165.12773	1.0
167.03438	2.7
170.02733	1.8
173.13239	0.5
175.11215	5.3
177.03273	3.6
177.05562	0.4
177.12779	0.4
179.04861	29.8
181.04668	0.4
181.06206	0.4
183.11673	0.3
185.04495	9.7
185.11674	0.4
185.13258	0.5
187.05405	1.6
187.11188	0.3
191.14343	1.0
193.12253	14.8
193.46066	0.3
205.12297	0.3
211.13278	1.0
213.12544	0.3
215.04892	2.0
217.12335	0.4
219.13846	1.9
223.13283	0.5
225.13040	0.3
227.12708	0.4
231.04376	0.7
233.05923	9.8
237.14812	0.4
245.06027	2.5
249.14919	0.7
259.15555	1.6
267.15924	39.5
268.16251	0.3
273.05389	0.5
273.14734	0.4
290.07965	0.8
291.06107	0.8
291.08682	1.1
293.17462	0.7
294.16919	0.3
306.07605	0.6
307.08124	0.9
308.09116	100.0
309.09637	7.6
309.17233	0.4
310.08994	0.7
323.10376	0.5
325.09186	4.0
341.10184	0.4
367.22705	0.9
385.23584	2.1
403.24991	0.7
434.12234	0.3
451.26825	0.6
459.27411	17.8
470.14453	1.5
477.28467	6.9
495.29575	0.9
501.28311	1.4
552.29120	0.3
567.29303	1.0
637.31281	0.6
655.31177	0.3
659.26471	0.4
709.31989	0.4
766.35461	1.2
784.23602	0.4
784.36804	6.0
802.37213	0.7
946.42303	6.6
954.32141	0.4
964.42456	1.0
982.42822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38673	0.9
70.06592	0.2
71.01357	0.1
71.04989	0.4
73.02883	0.2
74.00655	0.2
76.02229	7.3
76.04005	0.4
77.03935	0.2
79.05492	1.9
80.05013	0.3
80.05803	0.2
81.03419	7.0
81.07057	1.1
82.03746	0.5
83.04982	0.5
83.06094	0.2
83.08622	1.3
83.09725	0.1
84.04504	2.2
84.08130	0.2
85.02908	0.9
85.04028	0.5
86.14656	0.1
86.99083	0.2
88.02219	0.2
89.03915	3.6
91.05479	7.9
92.05825	0.2
93.03420	0.4
93.07056	1.3
94.06547	0.1
95.04964	2.5
95.08594	0.5
96.05344	0.1
97.02893	1.8
97.06523	0.2
97.10145	0.3
99.04452	0.4
105.04560	0.2
105.06374	0.2
105.07031	1.4
106.07335	0.2
107.04964	2.0
107.08581	0.5
109.02895	0.9
109.06503	0.7
109.10165	0.2
111.04433	0.5
111.08084	0.5
115.05410	0.2
116.01677	1.8
117.03381	4.3
117.06997	0.3
119.04944	16.4
119.08579	1.1
121.02879	1.3
121.06503	0.5
121.10098	0.7
123.04417	0.3
125.02396	0.2
125.09623	0.2
127.03917	4.9
129.07033	1.0
130.05011	1.5
131.04602	0.2
131.08574	1.0
132.08932	0.1
133.06512	0.4
133.10114	0.3
135.04420	10.1
135.08041	0.2
136.01566	0.3
137.09654	0.1
138.09157	0.2
139.03896	1.4
139.11172	0.1
141.04839	0.1
142.03230	1.0
142.07787	0.2
143.03436	0.4
144.01152	1.1
145.02853	8.1
145.06322	0.3
147.04410	100.0
147.11667	0.6
148.04781	0.6
149.02359	2.4
149.09622	0.6
151.03949	0.2
157.06483	0.1
157.10121	1.0
162.02220	3.7
163.03903	73.7
164.04227	0.5
165.05486	0.9
167.03400	8.3
167.07077	0.2
169.06219	0.1
170.02678	0.3
173.05986	0.2
175.11230	0.6
176.11566	0.2
177.03281	0.8
177.05505	0.2
179.04857	7.0
180.05171	0.4
181.04921	0.8
185.04459	42.1
187.05405	0.3
191.03395	0.2
193.12253	2.5
194.12585	0.4
197.04495	0.4
201.05487	0.3
203.03419	0.2
204.06631	0.2
209.04480	1.6
211.13316	0.2
212.10762	0.5
213.05455	0.1
215.04880	0.3
215.06970	0.2
217.04967	0.1
219.13742	0.3
221.04610	0.2
224.09506	0.2
225.10237	0.5
226.10995	0.2
227.11882	0.3
231.04311	0.2
231.06494	0.3
233.05959	1.9
235.08757	0.2
237.10226	0.3
239.11823	0.4
240.12544	0.4
241.09721	0.9
241.13393	1.2
245.05901	0.4
247.06075	0.2
249.10179	0.9
249.14784	0.2
251.05583	0.4
251.11861	0.2
254.10439	0.3
259.15363	0.2
263.05511	0.3
263.08240	0.4
264.08896	0.3
265.09821	0.3
267.11530	1.5
267.15900	7.8
268.16217	1.6
271.10837	1.3
277.09738	0.9
278.10379	0.2
279.08432	0.2
279.11343	0.6
281.09210	0.4
283.10855	0.2
285.12399	0.7
291.08688	6.6
292.08560	0.4
293.06512	0.2
293.17404	0.2
295.10754	0.3
297.12421	0.3
301.11737	0.4
305.09171	0.9
306.07587	0.2
307.08069	4.9
308.09106	19.4
309.09644	26.5
310.09671	0.8
311.07510	0.2
323.10251	2.5
325.09164	15.5
329.08847	0.2
334.10684	0.3
341.11142	0.4
351.09772	2.0
369.10928	0.7
383.12366	2.6
385.23502	0.3
451.26682	0.2
459.27502	3.1
460.27847	1.3
470.14322	0.3
471.13260	0.2
477.28485	0.9
478.28650	0.5
524.88879	0.2
591.22058	0.3
609.23358	1.1
610.24524	0.3
627.23260	0.2
641.26068	1.4
659.27124	1.6
677.27600	0.3
766.35760	0.2
771.28503	0.5
784.36670	0.8
785.36658	0.6
789.30627	0.2
802.38306	0.2
803.31195	1.2
807.29443	0.2
821.32104	2.8
839.32776	0.2
946.41406	0.3
947.42993	0.6
969.36798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.8
71.01350	2.5
71.04990	2.0
71.52893	0.4
73.02917	2.0
76.02233	0.7
78.21422	0.3
79.05482	0.8
81.03419	14.1
81.07053	1.2
83.01335	1.3
83.05002	0.4
84.04498	1.1
84.08150	0.5
85.02905	34.9
87.04464	1.3
89.03873	0.4
91.05495	2.7
93.03433	0.9
95.01321	0.5
95.04971	3.6
97.02893	25.1
99.00814	10.0
99.04458	6.8
101.02375	4.8
107.04958	4.5
109.02881	35.7
109.10064	0.5
111.04451	1.3
113.02333	0.6
115.03935	1.3
117.01858	2.9
117.03403	0.7
117.06900	0.4
119.04928	4.4
121.02872	4.5
121.06530	1.1
123.04453	3.8
125.02346	3.1
127.03916	72.2
130.05014	0.8
131.04996	0.4
135.04411	3.4
136.01573	0.9
137.02345	7.0
139.03893	3.7
143.03409	1.3
145.04964	26.5
147.04410	13.1
149.02339	7.9
149.05930	0.5
151.03893	1.5
155.03429	1.4
159.04477	0.9
161.06073	0.5
162.02226	0.7
163.03893	10.2
165.05569	0.5
165.07007	1.3
167.03407	20.9
169.04976	1.2
171.74504	0.4
173.02365	0.6
177.03452	0.4
177.05472	0.9
179.03410	1.2
179.04831	0.6
179.08571	1.0
181.04877	0.6
183.02856	0.6
183.08084	1.8
185.04454	100.0
186.04826	0.6
187.03961	0.5
187.06032	0.6
189.05473	1.1
189.07014	0.6
191.03447	0.5
195.02930	1.8
197.04459	2.4
203.03394	0.8
207.06418	0.7
207.08104	3.2
209.04456	7.2
211.07582	1.6
215.05450	0.6
221.04492	1.3
223.07529	0.5
225.03932	4.4
225.07542	0.8
228.07858	0.6
229.08624	5.9
233.04546	0.6
235.07645	6.6
239.06982	0.8
240.24063	0.4
243.05019	7.0
251.05576	1.6
253.07001	3.5
253.08847	2.8
261.06070	16.8
261.08865	0.8
263.07187	11.4
265.08554	0.5
267.06558	0.6
275.05536	0.9
281.08194	13.6
291.06326	3.6
293.06665	1.3
299.07526	4.7
308.09109	1.2
309.07419	16.0
310.08704	0.5
311.07684	1.4
325.09235	1.4
327.08768	3.7
329.08658	0.9
339.07202	1.7
341.06772	0.4
345.05978	0.7
351.07062	0.9
359.09753	2.1
369.08157	1.2
387.09174	4.8
405.10284	59.5
406.10815	0.7
453.11954	0.7
471.12845	7.5
820.38025	0.6
844.00159	0.4
929.43353	0.5
992.67505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97760	1.2
70.03757	0.4
71.01366	2.1
71.05012	1.8
73.02916	1.4
81.03423	10.7
81.07059	0.3
83.01346	1.4
83.04965	0.3
84.08139	0.3
85.02911	46.0
86.03211	0.4
87.04478	1.7
91.05494	2.8
93.03412	0.7
93.07039	0.4
95.01336	0.4
95.04980	2.0
97.02900	19.4
99.00197	0.6
99.00827	9.8
99.04460	5.4
101.02390	3.3
107.04221	0.4
107.04958	8.1
109.02885	25.1
111.04465	0.8
113.02378	0.4
115.03966	1.4
115.05478	0.4
117.01876	4.7
119.04955	6.6
120.05749	0.4
121.02869	3.7
121.06510	0.4
121.85059	0.3
123.04452	4.1
125.02371	1.3
127.03927	100.0
130.05011	0.3
131.04944	0.5
135.04434	3.7
136.01578	0.4
137.01364	0.6
137.02348	7.6
139.02901	0.4
139.03917	3.0
141.07053	0.4
143.03416	0.9
145.04973	45.2
147.04446	4.4
149.02354	5.3
151.03938	1.0
153.01906	0.3
153.07121	0.4
155.03360	1.7
155.08562	0.8
157.06512	0.3
157.61247	0.3
159.04437	0.6
160.05241	0.3
161.06041	0.5
162.02274	0.3
163.03922	2.0
165.01848	0.5
165.06996	2.3
167.03419	16.3
169.04997	0.7
175.03912	0.5
177.05531	1.0
179.03387	0.9
179.08531	1.4
181.06468	0.4
183.02902	1.4
183.08072	3.5
185.04471	79.1
186.04808	0.5
187.03947	0.9
189.05521	0.6
189.07065	1.0
191.03383	0.6
191.08713	0.3
195.02957	0.9
195.08272	0.3
197.04475	1.5
203.03406	1.2
207.06265	0.5
207.08070	6.5
209.04465	6.9
211.07559	3.3
215.05444	0.4
217.06592	0.9
218.07237	0.4
219.08107	0.4
221.04454	0.9
221.06201	0.6
225.03960	3.8
225.07326	0.5
225.09261	0.4
228.07857	0.6
229.08614	13.8
233.04463	1.0
234.06732	0.4
234.14871	0.5
235.07593	12.9
236.08138	0.5
237.03983	0.4
239.07047	1.2
241.08598	0.8
243.05023	4.9
245.04408	0.4
247.07562	0.9
251.05322	1.4
251.09299	0.4
252.16096	0.4
253.08835	8.6
253.12859	0.4
261.06085	11.2
261.08862	0.6
263.07147	23.5
264.07593	0.5
265.08618	1.1
266.05829	0.5
267.06458	0.4
275.05548	0.8
277.08401	0.3
281.08130	30.7
291.06525	8.9
291.09778	0.6
292.07379	0.6
293.06543	0.9
295.09827	0.5
299.07651	6.1
303.04831	0.4
308.09125	0.7
309.07559	40.2
310.08051	0.4
311.07742	1.4
317.12216	0.3
319.08212	0.3
327.08719	9.9
329.08719	3.2
337.10867	0.6
338.56027	0.3
339.07132	1.0
351.07312	0.4
355.11761	0.4
357.89554	0.3
359.09653	1.0
369.08115	1.1
387.09158	2.3
395.19986	0.3
405.10321	43.7
406.10641	0.4
435.10797	0.6
453.11856	2.5
471.12897	15.5
730.19629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05005	0.3
71.07382	2.9
71.52837	0.3
79.05482	2.8
81.07059	4.6
83.04961	0.3
83.08615	0.8
85.02899	0.5
86.09711	24.7
91.05492	1.9
93.07045	3.1
93.63419	0.2
95.04945	0.3
95.08601	2.7
97.06546	0.3
97.10188	0.4
98.98473	2.2
102.06703	0.2
104.10755	2.7
105.07027	1.5
107.04922	0.2
107.08598	2.2
109.06516	0.3
109.09572	0.3
109.10179	2.5
109.99872	0.2
117.07005	0.4
119.08606	1.2
121.10146	1.3
123.11695	0.4
125.00010	19.1
125.09593	0.4
126.66718	0.2
131.08554	1.1
133.10152	1.0
135.11668	1.0
137.09639	0.4
143.08598	0.3
145.10135	0.7
147.11681	1.0
148.89072	0.2
149.13255	0.5
154.94214	0.3
159.11687	0.6
161.13179	0.5
163.11133	0.4
163.14841	0.3
173.11694	0.4
173.13275	0.5
183.58553	0.3
184.07347	100.0
185.07747	0.4
187.14828	0.3
197.13327	0.2
219.17545	0.2
227.12846	0.4
229.14410	1.9
261.22153	0.9
261.69897	0.2
269.17511	0.6
275.20163	1.1
335.25809	6.3
349.23819	1.4
364.96948	0.3
367.24783	0.7
489.35748	2.2
504.34613	2.1
507.37036	0.3
521.22260	0.4
522.35596	22.0
523.36060	0.6
529.39056	2.8
609.45203	3.0
618.37372	0.2
627.46191	2.4
750.05194	0.3
952.57568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	2.9
55.05501	16.6
56.05047	3.0
59.05000	5.1
59.06122	12.4
59.99945	4.7
69.09486	3.8
70.99586	8.1
73.02909	3.8
73.29436	3.0
82.99857	5.6
83.01507	37.2
83.04977	9.4
85.02972	3.5
89.00269	38.3
90.00110	6.5
92.50684	3.0
94.42714	3.0
98.00779	13.4
98.76302	3.3
100.02540	3.9
101.00896	61.8
101.02567	61.4
101.06014	5.8
102.02243	4.8
117.16446	2.7
117.96003	20.0
118.96793	5.2
119.01925	100.0
119.03621	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56688	1.3
55.01878	7.8
55.05519	18.1
56.05042	7.0
56.96572	3.5
57.03420	3.9
57.07073	1.6
59.04990	3.4
59.06127	3.7
59.99939	2.5
61.58259	1.3
66.27197	1.3
69.88608	7.9
72.08128	1.6
73.02928	13.9
74.02422	1.8
79.01855	1.6
82.99831	2.9
83.01518	9.2
83.04983	7.1
84.04517	10.4
84.08147	4.6
85.02914	9.9
86.52698	1.6
89.00253	11.6
89.03429	1.8
90.00143	2.9
98.00752	5.5
101.00889	42.4
101.02551	20.2
101.06010	5.9
101.07115	1.7
101.10802	2.6
101.11642	2.7
114.49492	1.4
117.95984	4.6
118.03510	1.7
118.96747	1.9
119.01933	100.0
119.03671	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	1014.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	0.7
71.52407	0.2
73.02908	0.2
74.00666	0.7
74.02033	0.2
76.02230	30.7
76.04002	1.6
79.05497	5.6
80.05020	0.8
81.03421	34.4
81.07059	5.3
83.04979	2.1
83.06114	0.8
83.08623	7.5
84.04505	8.2
84.08145	0.2
85.01134	0.2
85.02915	1.1
85.04022	2.1
85.06541	0.5
86.99040	1.7
88.02229	0.6
91.05485	7.9
92.01708	0.6
93.07047	4.3
94.06577	0.2
95.04971	10.8
95.08610	1.9
97.01104	0.4
97.02888	1.9
97.06534	0.9
97.10164	1.4
99.05597	0.3
99.08090	0.2
102.05589	0.3
103.05480	0.4
103.98575	0.1
105.07030	5.0
107.04961	3.4
107.08583	1.9
109.02840	0.3
109.06532	2.0
109.10145	1.0
110.06019	0.2
110.26888	0.2
111.02677	0.4
111.04446	1.0
111.08080	3.0
112.03976	0.4
113.00589	0.3
113.03502	0.6
114.03773	0.5
115.05482	0.7
116.01682	9.5
117.07039	0.8
119.04960	0.6
119.08591	5.2
120.08076	0.2
121.06516	1.6
121.10159	2.6
123.04428	0.7
123.08049	0.9
123.11715	0.3
124.02197	0.4
125.06054	0.2
125.09626	1.0
126.05470	0.2
128.06192	0.3
128.07030	0.2
129.07040	3.8
130.05016	8.0
131.02826	0.2
131.04524	1.5
131.08572	4.3
133.06485	1.6
133.10147	2.3
135.08080	0.8
135.11682	0.4
137.06027	0.2
137.09615	0.8
138.03682	0.2
139.03212	0.2
139.11209	0.2
141.04796	0.5
141.06956	0.3
142.03232	4.9
142.04967	0.2
142.07765	1.2
143.02754	0.2
143.08585	0.3
144.01154	5.8
145.06073	1.2
145.10091	0.9
146.08168	0.2
147.04404	0.5
147.08070	1.9
147.11693	4.4
149.03792	0.3
149.06042	0.2
149.09625	2.4
151.11214	0.3
153.06606	0.3
153.09177	0.2
155.08351	0.4
157.06544	0.3
157.10135	5.4
159.11703	0.2
160.00679	0.4
161.05931	0.3
162.02209	19.1
163.11176	0.7
165.12784	0.9
169.06146	0.2
170.02707	1.7
171.11595	0.2
175.11194	5.0
177.03307	5.2
177.04958	0.3
177.05507	0.2
177.12852	0.2
179.04858	30.5
181.06125	0.4
185.03784	1.0
185.13159	0.2
187.05325	1.1
188.03810	0.3
189.03461	0.3
189.11266	0.4
189.12776	0.2
191.14380	0.3
193.12254	15.4
194.12653	0.3
195.11649	0.2
199.05373	0.2
201.12852	0.2
205.06474	0.2
205.12277	0.5
208.06009	0.2
211.13351	1.1
213.12892	0.3
215.04913	1.3
216.03342	0.4
223.13234	0.4
224.10931	0.2
227.05020	0.3
227.12723	0.3
231.04349	1.1
231.13925	0.3
233.05927	9.0
233.15424	0.3
235.13338	0.3
237.14856	0.3
245.05865	1.8
249.14880	1.1
250.12671	0.6
258.14761	0.3
259.13309	0.2
267.15924	43.8
268.13675	0.3
268.16299	0.6
272.06894	0.2
273.14777	0.5
276.15967	0.5
288.06488	0.5
289.04794	0.3
290.08112	0.7
291.06381	1.2
304.15195	0.3
306.07492	0.6
308.09109	100.0
309.09509	0.9
309.16934	0.4
325.15738	0.2
341.10275	0.3
349.21637	0.4
367.22592	0.7
385.23746	2.0
403.24738	0.5
441.26096	0.4
452.13336	0.5
459.27423	20.0
460.27460	0.2
470.14279	1.4
477.28525	6.8
478.28723	0.2
491.30109	0.5
501.28326	1.3
509.30835	0.4
519.29480	0.3
531.94495	0.2
543.29395	0.2
552.30365	0.2
555.29352	0.4
567.29694	1.2
585.29712	0.2
588.31415	0.4
637.31696	1.0
655.32654	0.9
665.77875	0.2
691.32227	0.3
709.33282	0.4
711.19196	0.2
714.34088	0.2
766.35901	1.8
784.36761	6.4
785.36761	0.2
802.37091	0.3
816.38354	0.2
817.37573	0.5
857.74512	0.2
871.38458	0.4
873.76501	0.2
928.40991	0.3
946.41986	6.7
947.41949	0.3
964.42816	0.5
978.43481	0.3
978.79694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04934	1.2
71.08496	0.4
72.08107	0.5
73.01058	1.5
74.00593	1.4
74.06017	0.7
76.02145	27.3
76.02619	2.3
76.03923	1.7
77.03848	0.8
77.93162	0.4
79.05408	21.5
79.05902	1.8
80.05015	4.5
81.03339	2.1
81.05714	1.2
81.06971	35.7
81.07500	2.5
82.06495	1.3
83.04897	1.8
83.06024	6.0
83.06557	0.7
83.08621	5.7
84.04420	13.6
84.04961	0.9
84.08066	0.5
85.01046	2.0
85.02808	1.8
85.06455	1.8
86.00564	7.1
86.06004	0.5
86.98967	4.4
87.02605	2.3
88.02222	4.2
91.05485	19.8
93.07052	27.5
93.07604	1.6
94.06576	3.9
95.04873	3.5
95.08612	18.5
95.09158	1.0
96.04495	2.6
96.08085	0.7
97.01124	12.3
97.02793	1.8
97.06536	3.4
97.10081	1.5
98.05997	1.1
99.02692	2.4
99.04365	0.5
99.05486	1.9
99.08028	0.8
100.02109	1.4
101.04163	1.0
102.05549	5.0
103.03859	0.4
103.05391	1.2
105.04449	0.9
105.07033	10.6
106.06464	1.6
106.52567	0.4
107.04923	0.9
107.06023	0.6
107.08604	13.4
108.04396	1.2
108.08024	0.7
109.06425	1.4
109.07582	0.5
109.10162	6.4
111.02672	16.2
111.03400	0.6
111.08099	3.3
112.02092	1.7
112.03867	1.0
113.00462	0.5
113.04164	1.0
114.03777	4.2
114.05451	1.2
115.02084	0.9
116.01685	23.9
117.07032	6.7
119.04810	0.5
119.08585	5.5
120.08011	1.6
121.06420	0.7
121.10143	9.6
121.10924	0.4
123.02652	3.4
123.07974	1.3
123.11736	2.5
124.02077	1.6
124.46884	0.4
125.04119	1.9
125.06925	0.5
125.09577	0.7
126.03643	1.0
126.05469	0.5
127.02052	0.6
127.05743	0.6
128.06151	0.6
129.06581	7.7
130.05017	7.3
131.08580	10.2
133.10139	8.4
134.09543	0.5
135.02567	0.7
135.05531	0.5
135.07965	0.7
135.11700	6.8
136.03976	3.2
137.04208	6.7
137.09581	1.0
139.01988	0.6
139.05722	0.7
140.01625	0.5
141.04680	1.4
142.03247	11.9
142.04903	0.6
143.02780	2.1
143.08546	1.0
144.01154	10.4
144.04736	0.7
145.06067	2.6
145.10159	3.0
146.02576	0.5
147.11699	3.4
149.04114	1.6
149.09532	1.3
149.13269	10.3
151.05811	2.4
151.11163	2.2
153.06541	2.7
155.08432	0.8
157.10020	1.6
159.11710	8.2
161.04057	1.4
161.13245	2.4
162.02220	21.9
162.12651	0.6
163.05771	0.5
163.11069	0.6
164.14259	0.5
165.07208	1.4
168.13770	0.4
170.02728	4.5
173.13263	3.3
174.12709	0.8
175.11166	1.0
175.14720	0.8
176.07031	0.5
176.14207	1.2
177.03311	2.0
177.12759	5.7
179.04863	23.8
181.06062	2.7
181.10300	0.6
182.09775	0.5
183.08327	1.0
183.11705	1.3
186.07535	1.7
187.03987	0.4
187.05356	4.8
187.14732	0.6
189.03343	2.4
190.15858	0.8
191.08792	1.5
193.06058	1.7
194.15326	1.6
195.13821	4.3
197.13440	0.7
198.13187	0.6
198.14752	0.9
199.05371	0.9
199.07054	1.2
201.12659	0.8
204.08614	1.1
205.06461	0.4
205.10454	0.6
206.15263	1.4
207.12054	3.3
208.05988	1.4
209.09802	1.1
212.16319	1.3
213.14854	0.8
215.04880	4.9
217.10486	3.3
218.04713	0.8
218.15390	2.1
223.11435	1.2
224.10997	0.6
224.14473	1.6
224.16367	2.3
225.13031	1.6
226.12634	3.9
233.05927	6.1
234.12961	0.6
235.11526	6.2
236.16454	1.0
237.13104	1.0
238.07082	1.1
243.21083	0.7
245.05898	4.0
252.14171	20.2
253.12500	3.9
259.20593	0.5
260.16440	0.6
261.22064	1.3
262.07733	0.5
267.15918	1.2
268.13724	0.5
268.19058	1.1
269.17499	8.7
270.15161	12.2
272.06967	0.5
275.17480	0.7
275.20157	0.8
282.20569	0.6
286.20020	0.6
289.04770	1.8
290.15616	1.2
291.06366	1.3
291.19562	1.2
298.14661	3.4
306.07565	1.0
308.09119	11.7
309.16156	0.7
312.12457	0.5
318.15204	1.0
326.17493	2.9
327.17334	2.5
335.25830	18.1
344.18582	2.0
354.17731	0.7
355.17007	4.2
364.15747	0.6
365.23288	0.7
373.17862	1.1
381.18445	1.7
386.16229	0.5
399.19434	2.1
412.17572	0.6
427.18918	1.8
429.20670	4.1
430.18832	1.4
447.21857	3.0
457.20233	0.7
465.22903	0.5
501.22672	1.0
502.22382	3.9
503.37540	0.8
519.23785	0.5
529.38989	7.6
547.40344	0.7
558.24725	1.2
576.25787	2.4
587.37506	0.7
594.27148	1.6
599.39532	0.5
604.40332	9.8
605.40204	0.6
622.41455	6.0
632.39850	1.8
639.42328	0.6
658.42810	0.9
689.41998	3.8
707.43024	100.0
708.43219	3.4
715.44196	0.6
725.44037	26.8
726.44299	1.7
733.45300	1.0
761.44403	3.3
766.46118	0.4
773.44171	1.2
779.45148	18.6
780.45337	0.8
794.45496	0.6
818.45929	3.6
836.47144	11.9
837.45911	1.6
854.48328	97.9
855.48993	3.8
869.48291	1.0
887.49432	0.9
896.49792	0.6
932.48975	1.2
941.50793	1.5
998.53058	1.2
1016.53644	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	1016.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04894	1.5
71.05251	0.6
73.01046	1.4
73.02836	0.4
74.00614	0.8
74.06014	0.5
74.47322	0.5
76.02128	26.4
76.02611	3.1
76.03904	2.0
76.04302	0.8
77.03850	0.6
79.05388	19.4
79.05897	2.1
80.04911	3.1
80.05704	0.5
81.03308	2.3
81.05725	1.0
81.06954	33.4
81.07485	3.7
82.06487	1.4
83.04872	2.0
83.05995	5.7
83.08510	5.4
84.04399	12.6
85.01019	1.9
85.02799	1.4
85.06449	1.5
86.00547	5.8
86.01108	0.6
86.06013	0.7
86.09640	0.8
86.98946	4.1
87.02589	2.4
88.02113	4.9
91.05371	17.1
93.06936	26.5
93.07583	2.1
94.06458	3.3
94.07075	0.9
95.04851	3.6
95.08496	17.5
95.09160	1.4
96.04381	1.9
96.08060	0.8
97.01003	9.8
97.02827	1.2
97.06418	3.7
97.10101	1.1
98.06011	0.5
99.02563	1.7
99.03153	0.6
99.05573	2.8
99.07993	1.3
100.02092	1.2
101.04151	1.0
102.03734	0.5
102.05428	4.3
103.05375	0.7
104.96693	0.4
105.04436	0.9
105.06915	10.5
106.06438	2.0
107.04874	0.9
107.08475	14.0
108.04382	1.0
108.08044	0.6
109.06387	1.2
109.07629	0.5
109.10029	7.2
110.05943	0.8
111.02673	15.5
111.03365	0.8
111.07950	2.2
112.02077	1.4
112.03900	0.9
113.00539	0.7
113.04111	1.0
114.03634	3.8
114.05434	0.9
115.02050	1.0
115.05418	0.6
116.01687	22.2
116.02456	1.1
117.07028	6.5
119.08582	7.4
120.07993	1.3
121.06413	0.8
121.10155	9.6
123.02670	2.6
123.07979	0.9
123.11701	2.3
124.02042	1.3
125.04108	1.9
125.07091	0.5
125.09529	0.6
126.03661	1.0
126.05418	0.7
127.02029	0.7
127.07391	0.4
128.05240	0.4
129.06593	7.0
129.30119	0.5
130.05022	7.3
131.08578	9.4
133.10150	8.1
133.11102	1.0
134.05919	0.9
134.09499	0.5
134.27522	0.5
135.02521	1.2
135.07973	0.8
135.11708	7.0
136.03941	3.1
137.04228	6.4
137.09538	1.0
139.01993	0.4
139.05681	1.0
140.05083	0.6
141.03651	0.5
141.04781	2.4
141.06879	0.5
142.03233	11.2
142.04890	1.0
143.02600	1.9
143.03613	0.5
143.08488	0.5
144.01154	9.2
145.05960	1.5
145.10155	2.7
146.02551	0.7
147.02509	0.5
147.11700	3.7
148.11064	0.7
149.04147	1.1
149.09451	1.3
149.13278	10.7
151.05775	2.2
151.11188	2.6
153.06500	2.1
157.09972	1.5
159.11714	7.6
161.04045	1.2
161.13213	2.1
162.02222	23.1
163.05655	0.7
163.11139	0.5
163.14693	0.7
165.07338	0.6
170.02719	5.6
171.11610	0.7
173.13278	3.7
175.11089	0.6
176.14252	0.6
177.03186	0.9
177.12782	5.6
179.04874	23.7
181.05983	2.1
183.08330	1.0
183.11609	1.4
184.07214	0.9
186.07518	0.9
187.05370	5.5
187.14775	0.6
189.03250	2.4
189.07277	0.5
190.15808	0.8
191.08899	1.2
192.06447	0.8
193.06075	0.8
194.15244	1.6
195.13774	3.3
197.13388	1.0
198.14772	0.6
199.05357	0.6
199.07065	1.0
201.12703	0.7
205.06401	0.7
206.15279	1.6
207.11958	2.5
208.05919	1.2
209.09740	1.3
209.13399	0.9
212.16397	1.1
215.04857	4.7
217.06343	0.5
217.10477	2.5
218.04706	0.9
218.15417	2.4
223.11436	0.7
224.14516	1.4
224.16370	2.6
225.13019	1.6
226.12585	2.9
227.04683	0.9
233.05936	5.8
234.12863	0.8
235.11543	5.8
236.16415	0.8
237.12967	1.4
243.04367	0.6
243.20955	0.5
245.06012	3.2
245.13373	0.4
250.12463	0.6
252.14160	18.5
253.12561	3.9
259.20413	0.9
261.22012	1.7
265.16986	0.5
268.19025	0.7
269.15024	0.7
269.17526	8.2
270.15204	10.3
273.05515	0.4
274.09485	0.7
275.17413	0.9
280.13513	1.5
286.20041	0.7
289.04868	2.1
290.07693	0.5
290.15463	0.7
291.06491	1.1
291.19382	1.4
298.14706	2.8
308.09131	12.5
308.16766	0.6
312.12497	0.9
318.15237	0.9
326.17621	2.6
327.17337	2.7
335.25815	23.1
336.26187	0.6
337.27402	0.5
344.18430	2.8
349.23532	0.6
355.16882	3.1
365.23102	1.3
373.17798	0.8
381.18567	1.3
396.12518	0.5
399.19543	1.2
427.19009	1.1
429.20642	2.3
430.18924	0.9
445.20151	0.6
447.21796	4.3
455.21622	0.6
457.20221	0.9
501.22549	0.6
502.22086	2.1
503.37399	0.6
519.23926	1.5
529.38971	7.7
557.64246	0.5
558.24854	0.9
559.36237	0.6
576.25903	2.9
587.37653	0.6
594.26697	2.3
604.40369	9.5
622.41199	5.2
632.39630	1.0
640.42450	1.4
689.41772	4.6
690.41028	0.9
707.43048	100.0
708.43445	3.7
725.44092	26.3
726.44672	0.9
733.45239	0.6
761.43481	3.1
773.43994	1.1
779.45087	18.3
818.45715	3.8
836.31989	0.7
836.47363	11.6
837.46460	1.8
854.48358	99.6
855.48926	3.8
869.48499	1.2
887.49066	1.7
896.49237	0.8
932.49969	1.0
941.50879	1.6
998.51636	1.0
1016.53973	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	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01332	1.7
71.04985	3.1
73.02901	3.1
77.03939	1.4
79.05499	49.1
81.03413	11.4
81.07064	60.6
83.04992	6.0
83.08620	14.2
85.02911	20.2
85.06573	2.5
87.04465	4.0
91.03971	7.9
91.05486	27.6
93.07049	47.8
95.04993	7.7
95.08612	41.6
97.02895	9.3
97.06539	5.3
97.10175	15.8
98.20721	2.8
99.04440	1.4
99.08087	3.4
105.04504	1.9
105.07037	16.9
107.04951	2.0
107.08603	32.0
109.02879	1.2
109.06487	3.3
109.10166	64.9
111.08073	5.1
115.03943	1.8
117.07024	9.4
119.08586	18.3
121.06513	1.4
121.10152	22.0
123.08064	3.3
123.11699	5.0
125.09630	13.0
127.03908	4.2
129.05453	2.0
129.06999	2.1
131.08560	12.4
133.10155	10.9
135.08009	1.3
135.11711	16.3
137.09610	4.2
137.13226	1.3
139.11194	1.5
143.10669	2.3
145.04956	5.1
145.10141	11.8
147.11708	10.1
149.09610	2.1
149.13310	7.3
151.11224	1.3
153.12730	3.5
155.10672	5.1
157.10085	2.3
159.11711	8.8
161.13298	6.3
163.06001	4.1
163.11217	8.6
163.14792	2.6
168.90999	1.2
171.11646	1.5
173.09651	2.0
173.11736	17.1
173.13274	7.5
175.11121	1.6
175.14819	2.8
176.17708	1.2
181.12239	2.9
183.11682	1.6
185.13271	1.7
187.14833	2.8
189.11171	1.5
191.10695	3.5
193.12260	3.9
199.13301	7.6
205.15878	1.3
208.55052	1.2
209.11760	6.8
211.13174	2.6
217.14288	2.2
227.12779	7.8
229.14371	54.6
229.41313	1.3
230.14618	1.2
240.09680	1.2
243.21091	5.1
249.30208	1.1
257.13824	3.7
259.20648	2.6
261.22162	22.9
267.16061	6.6
277.21719	2.0
283.15341	2.9
299.23746	1.7
301.16483	17.7
315.23511	1.7
317.24707	4.3
327.23029	1.6
333.24268	2.5
335.25824	100.0
336.25977	1.5
399.23825	15.3
415.32587	1.3
451.32114	1.5
459.34561	2.0
469.33890	1.8
477.35873	10.1
489.35800	30.9
527.37415	1.8
543.36743	7.8
561.37878	15.6
579.38745	5.8
659.45197	54.2
857.14325	1.4
880.24268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	2.4
71.04993	4.8
73.02913	4.6
77.03949	1.5
79.05501	52.7
81.03427	12.7
81.07066	70.4
83.04985	6.6
83.08625	14.3
85.02914	24.1
85.06540	5.3
87.04456	4.5
91.03966	7.6
91.04462	1.2
91.05492	32.1
93.07055	53.2
95.04979	10.0
95.08619	47.7
96.04517	1.5
97.02897	10.2
97.06546	8.0
97.10184	17.9
99.08091	1.7
105.04531	2.1
105.07038	22.4
107.04958	4.8
107.08612	32.5
109.06522	3.9
109.10168	67.5
111.04499	2.0
111.08086	4.5
117.07018	9.7
119.08594	19.5
121.06529	2.1
121.10165	20.1
123.08054	3.9
123.11699	5.4
125.09635	15.6
127.03910	4.7
129.05511	2.4
129.06996	4.2
131.08578	12.8
133.10141	11.7
135.08095	2.6
135.11697	15.4
137.09605	4.7
137.13242	2.5
139.11153	1.3
143.08620	3.0
143.10655	2.0
145.04945	4.0
145.09261	1.4
145.10167	15.7
147.11705	9.5
149.09605	2.7
149.13289	6.3
151.11171	1.2
153.12733	4.8
155.10695	6.2
157.10124	3.2
159.11739	8.3
161.13277	5.8
163.06015	5.4
163.11177	10.2
163.14859	3.1
165.12738	1.5
171.11679	1.9
173.04366	1.5
173.11740	19.7
173.13284	7.5
175.14882	2.6
177.16533	1.6
181.12279	2.8
185.13312	1.7
187.14810	3.0
189.11208	2.0
189.12794	1.6
191.10735	1.7
193.12253	3.7
193.44061	1.2
195.13429	1.4
199.13373	6.6
209.11821	7.5
211.13257	2.5
217.14308	2.7
227.12787	12.4
229.14374	63.1
241.19652	1.5
243.21126	7.0
259.20584	1.6
261.22180	25.2
267.15945	7.4
277.21707	2.0
283.15485	3.5
285.16998	2.9
299.23618	2.0
301.16431	21.2
315.23227	3.1
317.24661	3.8
327.23114	3.6
335.25833	100.0
363.25259	2.3
389.26901	2.4
399.23767	22.9
419.27734	1.7
442.24475	1.5
477.35934	7.6
489.35858	20.9
543.36774	7.3
561.37708	11.5
579.38672	5.4
659.45264	39.8
879.74353	1.4
921.31665	1.7
1018.58191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03711	1.1
53.03952	20.4
55.01876	0.8
62.95132	0.6
66.75221	0.7
70.56166	1.9
77.03928	5.0
81.03400	1.7
86.03220	0.8
95.04381	0.8
95.04987	15.7
100.59427	0.6
102.04704	3.7
103.05477	100.0
104.10741	2.7
105.04523	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	1032.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01159	0.4
73.02903	0.4
74.00644	0.3
74.02459	0.2
76.02228	43.0
76.03987	2.0
77.03918	0.3
79.05494	12.5
80.05013	1.0
81.03418	22.8
81.07057	14.6
83.04985	1.2
83.06101	0.6
83.08622	6.0
84.04504	10.3
85.02898	1.1
85.04023	1.3
85.06535	0.6
86.99050	2.2
88.02227	1.1
91.03961	0.4
91.05482	10.8
92.01699	0.5
93.07043	11.8
95.04967	7.5
95.08607	10.2
97.01084	0.4
97.02896	1.4
97.06536	0.9
97.10171	1.2
99.05540	0.2
99.96027	0.2
102.05504	0.3
103.05492	0.3
105.04522	0.4
105.07029	7.1
107.04945	2.0
107.08594	6.8
109.05902	0.2
109.06523	1.3
109.10156	4.4
111.04437	0.6
111.08080	1.6
111.53988	0.2
112.03996	0.3
113.03504	0.5
114.03761	0.5
115.05460	0.5
116.01678	13.3
117.07013	2.3
119.08582	6.1
121.06522	1.0
121.10137	5.6
123.04404	0.3
123.08053	0.7
123.11718	1.7
125.09618	0.8
128.06210	0.3
129.07033	2.9
130.05008	7.6
131.04561	0.8
131.08571	4.8
133.06479	0.6
133.10132	3.6
135.08044	0.5
135.11690	3.1
137.09608	0.6
137.13242	0.4
141.04846	0.7
142.02116	0.4
142.03224	6.1
142.07774	0.6
143.08556	0.5
144.01149	7.6
145.06091	0.8
145.10124	2.2
146.02747	0.3
147.08015	0.9
147.11691	3.9
149.09599	1.6
149.13269	1.6
151.05363	0.2
153.06609	0.2
155.08551	0.4
157.10139	2.7
157.11333	0.3
159.11691	2.0
160.00647	0.2
161.03860	0.2
161.13298	1.4
162.02202	25.3
163.11168	0.8
163.14819	0.9
165.12761	0.5
170.02727	2.6
171.11624	0.3
173.13268	1.4
175.11200	2.6
175.14877	0.5
177.03299	2.1
177.16457	0.4
179.04854	38.5
181.06152	0.4
185.03874	0.5
185.13237	0.3
187.05342	1.6
187.14821	0.6
191.14198	0.2
193.12245	6.2
197.13411	0.2
201.16379	0.2
205.06384	0.3
211.13306	0.6
215.04869	1.9
216.03305	0.6
227.12822	0.7
231.04237	0.2
233.05914	11.1
233.22737	0.2
237.14833	0.2
243.21010	1.6
245.05891	2.2
249.14882	0.4
250.12564	0.3
261.22171	4.7
267.15921	21.2
268.16333	0.4
272.07251	0.2
273.14896	0.2
279.22995	0.3
288.06451	0.4
290.08011	0.8
291.06415	1.6
301.25296	0.7
306.07465	0.4
308.09097	100.0
309.09454	1.2
309.16824	0.4
317.24802	0.6
335.25793	21.4
336.26120	0.4
341.10196	0.5
350.10242	0.3
407.23840	0.2
417.30814	0.2
435.27194	0.3
435.32483	0.7
435.38049	0.2
452.13220	0.7
453.33710	1.6
470.14590	1.8
471.34726	0.6
527.37347	11.5
528.37653	0.7
545.38422	7.5
546.38654	0.6
569.38342	0.6
653.40131	0.2
656.41119	0.5
705.40729	0.5
714.55377	0.3
834.45068	1.0
852.46600	2.7
1014.52112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01126	0.2
73.02911	0.2
73.51369	0.1
74.00674	0.4
76.02227	36.8
76.03989	1.3
79.05491	9.3
80.05038	0.8
81.03418	19.5
81.07055	11.2
83.04982	1.1
83.06100	0.7
83.08149	0.2
83.08619	4.3
84.04502	9.6
85.02885	1.0
85.04018	1.0
85.06525	0.4
86.99048	1.8
88.02240	0.9
91.03955	0.3
91.05479	8.2
92.01727	0.3
93.07041	8.3
95.04964	6.8
95.08602	8.1
97.02888	1.4
97.06535	0.7
97.10153	1.1
98.00639	0.2
99.04451	0.2
99.05581	0.2
99.08089	0.3
100.02193	0.3
102.05540	0.4
103.05476	0.3
105.04517	0.3
105.07034	5.8
107.04956	1.8
107.08587	4.8
109.05868	0.1
109.06527	0.9
109.10153	3.3
111.02674	0.2
111.04453	0.5
111.08089	1.4
112.03959	0.4
113.03484	0.2
114.03747	0.5
115.05453	0.5
116.01675	10.4
117.07030	1.6
119.04939	0.3
119.08582	4.9
121.06501	0.9
121.10145	4.6
123.04428	0.3
123.08084	0.8
123.11741	0.9
125.09644	0.6
127.03931	0.2
128.06242	0.3
129.07039	2.7
130.05006	7.3
131.04541	0.5
131.08572	3.8
133.06483	0.6
133.10129	2.9
135.08046	0.3
135.11708	2.5
137.06006	0.2
137.09590	0.4
137.13275	0.3
141.04819	0.6
142.03220	5.4
142.07774	0.7
143.08548	0.4
144.01146	6.8
145.06073	0.8
145.10129	1.7
146.02696	0.5
146.08073	0.2
147.08026	0.8
147.11693	2.8
148.66356	0.2
149.09618	1.3
149.13245	1.6
151.14777	0.2
157.10121	2.5
159.11681	1.5
160.00763	0.2
161.03896	0.2
161.13255	1.0
162.02202	23.0
163.02516	0.1
163.11177	0.4
163.14822	0.9
165.12727	0.7
169.10110	0.2
169.87976	0.2
170.02693	1.9
171.11691	0.4
173.09520	0.2
173.13293	1.1
175.11179	2.3
175.14809	0.5
177.03296	2.3
177.12741	0.2
177.16325	0.2
179.04852	39.3
180.05147	0.2
181.06148	0.3
185.03819	0.3
185.13187	0.2
187.05348	1.7
187.10956	0.2
187.14842	0.6
188.03754	0.2
189.11215	0.3
189.12724	0.1
193.12247	5.8
199.05344	0.4
201.16396	0.3
205.06418	0.2
208.06090	0.2
211.13353	0.7
215.04843	1.9
216.03236	0.3
218.21909	0.2
223.13170	0.2
227.04951	0.3
227.12688	0.9
231.04401	0.3
233.05902	11.3
235.13287	0.3
243.21046	1.1
245.05902	2.1
249.14870	0.5
250.12451	0.2
261.22144	3.5
267.15912	22.2
268.16190	0.2
269.17361	0.2
273.05328	0.2
274.09595	0.2
276.15695	0.2
288.06400	0.4
290.08109	1.0
291.06387	1.4
294.17130	0.2
299.23755	0.2
301.14407	0.2
301.25150	0.5
304.15506	0.3
306.07584	0.5
308.09094	100.0
309.09433	1.4
309.17035	0.2
317.24783	0.7
335.25803	16.1
336.26126	0.5
341.10117	0.5
350.10098	0.2
386.09937	0.2
396.20114	0.3
421.25845	0.3
435.32541	0.6
449.29178	0.2
450.68747	0.2
452.13275	0.5
453.33655	1.2
470.14459	1.6
471.34787	0.4
509.35770	0.2
527.37317	9.6
528.37378	0.5
545.38348	7.4
569.38019	0.4
581.88220	0.2
587.38202	0.2
620.39221	0.3
653.40289	0.2
656.41077	0.4
705.41119	0.3
723.42560	0.3
753.75830	0.2
759.41876	0.2
777.43127	0.4
834.46106	0.7
852.32605	0.2
852.46613	2.6
939.47858	0.2
1014.51807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23905	0.2
58.06599	3.2
59.07378	1.0
60.08168	34.3
61.63218	0.2
69.03447	0.2
69.94267	0.8
77.54932	0.2
87.04488	0.9
104.10751	100.0
105.11057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
58.06600	3.2
59.07397	0.9
60.08168	34.8
69.03438	0.6
69.75757	1.1
79.29436	0.2
86.06080	0.6
87.04475	2.0
104.10750	100.0
105.11089	0.4
113.62967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04559	0.2
73.02899	0.6
73.29152	0.2
78.04841	0.2
78.42665	0.2
81.03414	1.7
81.07036	0.3
83.01293	0.2
84.08143	7.2
85.02907	9.1
87.04449	0.9
91.03928	0.8
91.05441	0.2
97.02898	3.3
99.04449	0.6
109.02886	1.1
109.06508	0.9
111.76497	0.2
113.02305	0.6
114.09195	0.2
114.42667	0.2
120.08121	0.2
121.06483	0.4
123.04395	0.3
126.09161	3.1
126.85644	0.2
127.03925	2.5
135.08005	0.2
139.03859	0.5
143.03387	0.3
145.04956	0.9
145.06482	0.5
146.09158	0.2
149.05969	0.3
151.03923	0.5
155.03394	4.8
161.05948	0.2
163.03842	0.4
163.07571	1.4
165.05482	0.5
167.03377	0.8
169.01328	0.7
169.04970	1.9
169.06268	0.3
173.05994	1.1
179.03412	2.1
181.05002	1.2
181.08572	0.3
183.02856	0.3
185.04468	0.2
187.02362	0.8
187.07584	0.6
190.08598	0.5
191.05424	0.4
191.07043	5.0
191.08801	0.3
197.04454	21.3
198.04817	0.3
205.04980	0.2
205.08580	1.0
208.09694	0.8
209.04546	1.1
209.08096	4.6
215.07077	0.5
223.05992	0.5
223.09685	0.4
226.10728	7.1
232.09680	0.7
233.08102	3.4
250.10793	0.5
251.09154	28.4
252.09467	0.4
268.11810	35.9
269.12021	0.5
303.04944	0.5
413.14307	0.9
430.17108	100.0
431.17609	1.8
519.60797	0.2
601.85510	0.2
618.76874	0.2
735.78174	0.2
745.52997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01139	1.3
74.00680	10.4
75.01462	1.2
75.02660	1.6
76.02239	26.8
76.04012	12.7
79.05500	26.0
80.05031	12.1
81.03432	12.7
81.05809	3.9
81.07072	27.9
82.06580	3.5
83.04984	3.8
83.06108	12.3
83.08645	6.4
84.04516	62.7
85.01138	52.0
85.02912	3.6
85.04020	9.1
85.06555	1.6
85.19314	1.2
86.00662	38.3
86.98536	2.6
86.99065	52.9
87.02699	3.4
88.02233	7.3
90.05568	2.2
91.05491	19.0
91.06014	1.6
92.01728	4.8
93.07051	23.0
95.04964	8.6
95.08624	20.4
96.04516	4.8
97.01131	11.7
97.02872	2.9
97.06545	2.6
97.10176	4.5
97.62189	1.2
98.00648	6.1
98.06062	1.9
99.01411	3.3
99.05591	4.4
99.08153	1.4
100.02222	7.7
102.03783	39.3
102.04433	2.9
102.05548	22.1
105.07043	12.7
107.04984	3.8
107.06093	2.0
107.08597	12.8
107.21005	1.3
108.04515	3.2
109.05251	2.1
109.06525	2.0
109.07648	6.1
109.10168	10.7
110.06029	3.3
111.02703	1.9
111.04395	1.9
111.08070	1.9
112.02201	35.7
112.03951	7.9
113.00620	6.5
113.03553	1.9
114.00121	1.5
114.03770	15.6
114.05540	2.1
115.02145	1.5
116.01680	34.0
117.07054	4.1
119.08588	11.9
121.10141	9.4
122.06024	1.8
123.08106	1.9
123.11716	1.6
124.02190	7.9
125.00597	2.1
125.09637	5.0
126.03767	5.0
126.05553	5.0
128.07066	2.4
129.06665	8.7
130.03247	18.0
130.05019	41.8
131.01651	1.8
131.04509	8.4
131.08549	8.5
132.01166	3.9
132.04820	2.3
133.06560	1.8
133.10146	8.2
134.06041	3.0
135.05527	1.7
135.08116	1.7
135.11708	6.5
136.03943	3.6
137.00630	1.6
138.05589	2.1
139.03241	1.8
140.01691	6.2
142.03236	48.7
143.02748	40.6
143.04495	2.3
143.08563	2.1
144.01180	8.6
145.06065	11.9
145.10144	9.6
147.02713	1.6
147.07985	1.9
147.11702	7.7
149.09641	1.8
149.13307	2.1
150.03743	1.8
152.01611	2.9
153.06619	5.5
155.08195	8.6
156.06596	9.8
157.10181	2.1
158.02722	8.4
159.11676	2.8
160.00632	2.3
161.13298	1.5
162.02200	16.1
162.05597	1.5
163.11218	5.8
168.04831	6.9
168.06450	2.7
169.04323	10.4
170.02736	7.1
171.02234	7.5
171.07802	2.1
172.06100	1.5
173.09372	4.4
173.13318	2.5
175.11249	2.5
177.03297	36.5
177.04840	1.8
178.03445	1.6
179.04877	17.7
181.06076	9.8
185.03781	9.8
187.05463	3.8
188.03835	8.6
188.05406	1.7
189.03311	98.7
191.10651	1.9
193.06396	3.9
193.12253	2.8
195.04378	1.8
196.04317	16.8
199.05363	4.7
199.07169	4.8
201.08759	2.0
205.06445	37.1
205.08351	1.8
208.06108	2.2
209.11798	2.3
213.06926	1.7
215.04875	44.8
217.06436	3.4
223.07950	1.7
224.03752	6.8
227.04886	5.4
227.12790	3.0
229.14351	3.7
231.04362	10.2
231.08061	2.6
232.05313	1.6
233.05925	40.8
234.06151	2.0
238.07201	1.7
238.12656	1.8
241.06416	4.2
241.08669	1.7
243.04440	3.2
245.05959	16.9
248.11191	2.6
249.09529	1.8
257.07693	2.7
259.07568	8.1
261.22144	3.5
266.12158	10.3
267.15891	9.3
269.05902	4.0
274.10355	2.3
275.11215	1.5
284.13242	4.7
285.17279	2.9
287.07010	17.2
288.06534	4.0
291.19553	9.4
294.11603	4.1
299.06943	3.8
306.07605	19.1
307.08475	5.4
308.09155	10.4
311.23468	1.3
317.08447	1.7
322.10703	3.9
323.11047	2.5
324.08810	1.7
334.10706	32.7
335.25809	31.3
336.26236	1.7
341.14880	2.0
344.09229	1.5
345.07513	2.0
362.10208	77.2
365.23221	3.8
397.90668	1.6
461.19321	2.3
519.33130	4.9
527.37329	2.5
543.37500	1.4
545.38336	2.7
559.36249	5.1
608.24408	2.0
618.37994	2.5
639.42181	2.8
654.40039	3.4
689.39221	1.9
703.39520	4.2
721.40991	16.8
739.41895	22.8
757.43091	32.7
793.42310	6.1
811.43970	8.7
850.45044	6.4
868.46472	19.6
869.44800	1.7
886.47375	100.0
887.46783	4.2
919.48132	1.9
973.46991	1.8
1030.50806	4.1
1048.52734	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	1048.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01155	1.5
74.00656	5.7
76.01832	1.9
76.02234	21.6
76.04004	6.5
79.05496	15.8
80.05024	10.9
81.03427	9.6
81.05792	3.7
81.07060	17.3
82.06577	3.3
83.04988	3.7
83.06118	8.1
83.08604	4.1
84.04508	51.4
85.01133	52.1
85.02889	3.8
85.04006	4.8
86.00145	2.3
86.00655	38.2
86.99055	55.6
87.02690	4.3
88.02222	5.2
90.05537	1.7
91.05487	13.9
92.01680	2.2
93.07056	13.0
94.06537	1.7
95.04964	3.6
95.08619	12.5
96.04497	7.1
97.01118	14.6
97.02871	2.2
97.06516	2.4
97.10153	4.5
98.00665	7.3
98.06046	4.5
98.20751	3.5
99.01439	1.5
99.05567	2.7
100.02219	8.0
101.95760	1.1
102.00113	1.8
102.03773	37.2
102.05547	24.7
105.07019	9.4
106.06500	1.4
107.04951	2.7
107.06078	2.9
107.08592	10.5
108.04479	2.8
109.05288	1.7
109.06452	2.2
109.07623	6.4
109.10174	6.9
110.06044	2.9
111.08031	1.3
112.02196	31.8
112.03931	3.7
113.00605	7.3
114.00107	4.7
114.03751	15.8
114.05534	2.8
115.02146	1.6
116.00903	2.1
116.01684	31.1
117.07019	3.8
119.08580	6.6
121.10187	6.4
123.02648	2.4
124.02189	6.7
124.07551	1.5
125.00580	2.2
125.04202	1.4
125.07052	1.3
125.09626	3.9
126.03751	3.4
126.05523	3.6
126.51792	1.2
128.07085	2.6
129.06561	10.5
130.03259	19.3
130.05003	30.5
131.04533	2.0
131.08549	4.5
131.27560	1.3
132.01120	3.2
132.04669	2.4
133.10194	6.7
134.06018	3.0
135.05525	1.4
135.11696	4.2
136.03917	2.8
138.03818	1.4
140.01691	7.2
141.04784	2.9
142.03230	49.4
142.04924	2.1
143.02748	44.2
144.01135	7.1
145.06110	7.0
145.10121	3.5
146.02718	1.6
147.11644	2.1
149.09622	2.5
152.01653	3.3
153.06598	5.2
155.08167	9.5
156.06572	8.1
157.00667	1.4
157.10089	2.5
158.02737	6.5
159.11734	2.2
160.00607	2.0
161.09572	1.6
162.02193	13.0
162.05458	1.8
163.11156	2.2
168.04793	7.4
168.06548	2.5
169.04315	8.3
170.02696	7.0
171.02234	7.2
173.09302	4.7
177.03297	16.1
179.04890	17.6
181.06088	7.7
184.06038	1.4
185.03822	4.7
187.05414	3.0
188.03766	8.4
188.05415	2.6
189.03297	100.0
191.10588	1.3
193.06332	3.4
193.12216	4.4
196.04306	12.2
199.05350	3.3
199.07143	3.3
201.08734	1.7
205.02885	1.7
205.06441	38.7
211.07307	1.5
213.06853	1.4
215.04855	41.7
217.06473	4.2
224.03799	6.2
227.04881	4.0
227.12784	2.2
229.09459	1.5
229.14316	2.6
231.04520	5.7
231.08318	2.4
232.04987	2.1
233.05911	36.5
238.07216	1.7
238.12631	1.6
241.06384	3.2
243.04384	2.3
245.05943	16.0
248.00430	1.3
248.10962	2.3
257.07541	2.4
259.07523	6.1
261.22217	2.5
266.12137	8.9
267.15942	7.1
269.05884	3.1
271.07574	1.5
275.11185	2.0
284.13132	2.7
287.06955	19.9
288.06528	2.3
291.19586	1.5
294.11707	2.9
299.07025	3.5
306.07431	5.8
307.08209	6.1
308.09134	9.2
310.99619	1.2
316.09665	1.9
317.07938	2.4
322.10687	3.9
334.10709	33.7
335.25790	18.4
341.15466	2.1
344.08978	1.8
345.07431	3.7
362.10187	69.9
369.14270	1.9
392.10986	2.6
443.18463	1.8
461.19727	2.7
479.20712	1.5
525.96881	1.2
534.21100	1.6
557.34760	2.3
608.24579	2.3
618.37854	2.2
654.39886	4.4
703.39197	2.1
721.40906	12.0
739.42010	19.9
757.43085	19.3
775.41290	1.5
793.42596	5.2
811.43872	8.0
868.46161	14.5
886.47290	93.7
887.46851	4.9
919.47150	1.9
973.48413	1.5
1048.52136	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03954	7.5
55.01880	0.4
58.88215	0.4
59.04996	0.4
60.04531	2.5
60.08184	0.4
61.08489	0.4
69.03436	0.5
69.85388	1.9
74.30657	0.4
77.03922	2.0
79.05497	33.8
81.03417	0.8
88.04800	0.4
88.82162	0.4
95.04976	8.9
103.05471	25.2
105.04548	5.4
105.07037	100.0
105.11067	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	0.9
53.03951	8.5
55.01860	0.6
55.23682	0.4
56.20449	0.3
57.76528	0.4
60.04524	0.7
64.49794	0.4
71.04501	0.7
77.03934	2.7
77.04320	0.5
79.05496	36.0
81.03435	0.7
92.01952	0.4
95.04977	9.0
103.05473	28.4
105.04558	4.3
105.07035	100.0
105.11081	1.6
106.07333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02383	0.8
53.03712	0.5
53.03951	7.8
55.01859	0.4
60.04522	2.0
60.08142	0.5
65.03941	0.5
69.51340	2.4
77.03924	1.6
77.52084	0.4
79.05499	35.4
81.03425	0.5
89.59476	0.4
95.04970	8.0
101.84848	0.4
103.05473	22.4
105.04555	4.2
105.07037	100.0
105.11075	2.5
106.07405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02367	1.4
53.03955	10.4
59.06950	1.0
60.04538	7.4
60.95860	1.6
61.08496	1.6
62.99100	1.1
70.03766	1.0
70.52369	1.2
70.52722	3.1
77.03914	2.1
79.05505	30.8
88.04814	2.8
95.04974	10.8
103.05481	20.5
105.03413	4.3
105.04518	7.8
105.07045	100.0
105.11105	7.9
105.20805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	0.9
53.03951	11.4
55.01899	0.6
60.04524	4.1
60.95854	0.9
65.03927	0.8
71.31284	0.6
72.26882	0.7
75.72279	0.6
77.03937	2.3
79.05498	40.1
80.37179	0.6
82.51482	0.6
88.04774	1.4
91.61147	0.6
95.04973	8.8
103.05473	26.6
105.03402	1.9
105.04523	7.6
105.07034	100.0
105.11068	1.1
109.21249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03893	0.4
79.05495	11.7
81.03403	1.7
81.07062	15.0
83.04967	1.2
83.08631	1.9
85.02883	1.0
85.97577	0.4
91.05485	7.4
93.07050	11.9
94.41748	0.4
95.04995	2.1
95.07994	0.6
95.08607	10.4
97.02885	1.0
97.06525	1.3
97.10131	0.5
99.04453	0.5
100.92548	0.4
105.04542	0.5
105.07029	3.6
105.87325	0.4
107.04962	0.9
107.08604	6.7
109.02895	0.6
109.06491	0.7
109.10158	4.3
111.08073	0.5
115.05438	0.7
117.05506	2.0
117.07023	2.1
119.04955	0.4
119.08621	3.2
121.06493	0.6
121.10133	5.2
123.04468	0.9
123.08081	1.3
123.11713	1.3
125.09678	0.5
127.03905	0.7
129.06990	0.9
131.04926	0.6
131.08578	2.9
133.10132	2.2
135.07994	0.4
135.11697	2.7
139.03923	2.0
145.06451	0.5
145.10139	1.9
147.04402	1.4
147.08080	0.6
147.11711	1.4
149.02284	0.5
149.05908	0.6
149.13272	1.0
151.03906	1.4
153.05511	0.4
155.03400	3.0
155.08531	0.5
157.06467	0.4
159.04451	0.8
159.11720	1.4
161.05998	1.0
161.13246	0.7
163.03918	3.6
163.11189	0.5
165.05574	1.0
167.03380	0.9
169.05035	0.6
171.04541	0.4
171.08046	0.4
171.11711	0.5
173.04539	0.8
173.05943	0.8
173.09590	0.4
173.13300	0.8
175.03867	1.1
175.07603	0.7
177.05504	6.3
179.03400	8.0
179.06960	0.5
181.04950	1.8
185.06007	0.9
185.13304	0.4
187.03877	2.1
189.05435	2.3
191.03403	1.4
191.07062	1.0
193.04973	17.3
195.11813	0.4
197.04460	0.8
199.07576	0.7
201.05475	2.6
203.03400	9.9
203.07028	1.5
205.04984	7.6
207.02899	1.9
207.06560	1.7
211.03889	0.8
213.05437	2.9
215.03558	0.5
215.07088	0.5
216.04205	0.6
217.04979	2.8
217.08464	0.5
219.02931	0.8
219.06487	5.3
221.04466	6.7
223.02243	0.6
223.11139	0.8
227.03445	1.0
227.07013	1.1
229.04945	4.1
231.02744	0.4
231.06554	1.6
233.04388	0.6
235.02396	0.6
235.06006	4.1
241.12317	0.5
243.06491	0.7
243.10147	0.4
243.21103	0.6
245.04422	4.3
245.08142	1.8
245.11732	1.2
247.05936	2.0
251.10669	1.0
253.08690	0.7
255.06494	2.4
255.10382	0.7
259.13315	1.3
259.20737	0.4
261.11218	1.0
261.22113	3.4
263.05606	0.6
269.08975	0.5
269.11615	2.1
271.09653	0.9
273.07956	0.4
273.11270	0.6
275.20306	0.6
279.10153	0.4
287.12799	7.1
289.10703	8.2
291.12296	9.2
297.11102	2.0
301.14148	0.5
303.12387	0.8
305.13846	8.3
311.12796	1.2
315.12280	30.3
316.12854	0.6
317.13852	0.6
317.24924	0.6
319.15390	0.6
329.13815	1.8
333.13327	100.0
334.13708	1.8
335.25812	43.9
336.26074	0.9
339.12201	1.1
357.13379	7.9
371.14838	1.8
375.14468	12.5
376.14523	0.6
377.26840	4.1
389.15808	2.1
393.15375	0.7
407.17072	0.8
413.15988	0.8
431.17087	4.3
449.18094	36.0
450.18369	0.9
467.19333	0.6
537.20355	0.4
575.33630	1.0
593.21692	0.8
593.35284	1.3
594.37238	0.5
649.37061	0.8
667.38586	4.6
691.38483	3.1
709.39490	50.6
710.39777	2.5
727.40271	1.7
853.42847	1.2
986.53210	0.5
1051.63232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00672	1.2
76.02238	12.7
76.04008	1.1
79.05499	2.4
79.95251	0.2
80.04998	0.4
81.07067	11.3
82.06575	0.4
83.06097	1.2
84.04513	12.5
85.01138	2.3
86.00658	3.0
86.98634	0.2
86.99067	3.6
87.02245	0.3
87.02697	3.9
88.02195	1.0
88.03876	0.2
93.07029	0.3
94.06573	0.5
95.04988	0.2
95.07317	0.2
95.08172	0.2
95.08612	2.3
96.08128	0.4
97.01101	0.6
97.06522	1.4
98.09704	9.3
99.05562	0.6
99.07496	0.3
99.08096	3.6
101.00624	0.3
101.11185	0.2
102.05556	3.8
102.50247	0.2
105.07001	0.8
108.08115	0.4
110.09673	1.4
111.02602	0.2
111.08076	0.5
112.03976	2.6
113.03540	0.3
113.04250	5.1
114.03740	0.5
114.05482	0.3
115.05787	1.5
116.01691	16.2
122.05022	0.2
122.09670	1.2
123.08041	0.9
123.10449	0.4
123.85656	0.2
127.05803	1.1
129.06557	2.9
129.07365	0.9
130.04054	0.4
130.05017	6.2
130.06859	3.2
130.08635	2.0
139.05779	1.4
142.03239	1.7
142.04996	0.7
143.02763	1.1
144.01161	7.5
145.06033	1.0
145.06979	0.5
156.08412	15.7
156.10187	10.0
156.11522	0.5
157.06845	8.2
162.02222	18.2
170.02689	0.8
174.02219	0.4
174.09511	7.6
179.04886	5.8
181.06133	0.3
184.07930	0.4
187.05396	0.6
188.03851	0.3
189.03331	1.3
198.47090	0.3
203.07407	0.3
210.11241	2.1
213.10614	0.4
215.04869	0.9
216.06920	5.8
233.05891	1.6
242.08495	1.1
245.05933	0.6
259.11142	100.0
260.09109	1.1
260.11526	0.8
277.12210	6.6
285.12732	2.8
291.06454	0.4
308.09091	1.3
313.12140	3.4
331.13275	5.6
343.13303	0.6
388.15356	4.2
389.13870	0.3
406.16483	59.6
407.16827	0.9
469.05072	0.2
480.77875	0.3
638.57806	0.3
886.93982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00632	1.0
74.02443	0.2
76.02231	13.1
76.03997	1.3
79.05487	2.7
80.04991	0.7
81.07059	11.4
82.06546	0.4
83.06105	1.2
84.04506	13.7
85.01122	2.2
86.00236	0.2
86.00655	3.1
86.99051	3.9
87.02172	0.3
87.02692	4.3
88.02206	1.4
91.05414	0.3
93.07022	0.4
94.06546	0.6
95.04922	0.3
95.08612	2.6
96.08088	0.7
97.01073	0.7
97.06512	1.0
98.09694	10.4
99.05540	0.7
99.07502	0.3
99.08092	4.1
101.00553	0.2
101.12001	0.2
102.05540	3.6
105.00081	0.4
105.07015	1.1
108.08092	0.3
110.09680	1.3
111.02693	0.3
111.08068	0.5
112.03961	3.1
113.04229	5.3
114.03751	0.5
114.05494	0.3
115.05797	1.0
116.01678	17.4
121.14086	0.2
122.09638	1.0
123.08112	1.0
123.10379	0.5
127.05811	1.2
129.06570	3.2
129.07372	0.6
130.04054	0.3
130.05005	5.3
130.06885	3.5
130.08617	1.3
133.94507	0.2
139.05769	1.3
142.03229	1.8
142.04980	0.5
143.02754	1.1
144.01151	7.2
145.05959	1.2
153.06599	0.3
156.08398	16.7
156.10179	11.1
156.11516	0.5
157.06833	8.3
162.02209	18.9
170.02719	0.8
171.02240	0.3
174.02177	0.3
174.09486	8.0
179.04851	6.3
181.06041	0.3
184.07928	0.4
187.05328	0.8
188.03722	0.6
189.03346	1.3
202.91798	0.2
203.07198	0.2
210.11234	2.1
213.10501	0.3
215.04843	0.9
216.06892	5.3
233.05916	1.6
233.09468	0.2
242.08473	1.0
245.05884	0.5
259.11124	100.0
260.09070	1.1
260.11490	0.9
277.12180	6.8
278.12164	0.3
285.12677	2.6
291.06473	0.3
308.09232	1.5
313.12140	3.4
331.13257	5.5
331.53937	0.3
343.13248	0.5
388.15454	3.9
389.13889	0.5
406.16443	57.8
407.16812	1.1
459.05032	0.3
530.39911	0.2
1012.39795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03926	1.3
79.05498	14.4
81.03428	18.6
81.06593	1.3
81.07065	26.1
83.01331	1.1
83.04975	3.6
83.08622	14.0
85.02914	5.4
85.06535	1.3
85.10185	11.7
86.09705	2.7
89.06052	0.9
91.03944	1.0
91.05489	18.3
93.03391	1.4
93.07052	14.4
95.01336	11.8
95.04980	13.6
95.08614	26.8
97.02898	7.2
97.06519	2.7
97.10196	7.2
101.02373	2.9
103.05441	1.7
105.03331	0.9
105.07038	12.5
107.04962	12.1
107.08614	6.2
109.02882	4.7
109.06547	4.6
109.09469	1.6
109.10167	22.8
110.00690	1.0
111.00849	1.3
111.04462	3.0
111.08067	2.3
111.11732	1.6
113.02390	1.3
115.05461	3.4
117.07028	9.4
119.04942	4.1
119.08587	9.1
121.02901	2.5
121.06526	9.3
121.10179	5.6
123.04436	8.7
123.08091	2.3
123.11730	4.4
125.00008	1.6
125.02330	4.4
125.05981	1.1
125.09605	2.4
127.03916	2.6
128.06233	2.8
129.07022	7.5
131.04968	8.9
131.08577	10.8
133.02837	1.8
133.06496	5.4
133.10127	7.6
135.04433	9.5
135.08046	5.2
135.11731	2.4
137.02333	1.2
137.05994	3.9
137.09663	2.2
139.03893	3.3
141.01836	3.2
141.05464	1.2
141.06979	3.7
142.07805	1.4
143.04912	1.0
143.08571	5.6
145.06505	6.2
145.10123	5.1
147.04422	16.2
147.08006	4.4
147.11685	4.2
149.05971	5.8
149.09628	3.6
149.13220	2.1
151.03900	10.8
153.05481	1.8
154.07841	1.2
155.08557	2.8
155.10594	1.9
157.06485	4.2
157.10158	7.0
159.04398	3.2
159.08066	2.7
159.11723	5.8
161.02339	1.5
161.06017	5.9
161.09624	2.5
161.13264	1.1
163.03909	8.2
163.07581	1.8
163.11174	1.8
165.01837	1.6
165.05495	4.0
165.06985	1.2
165.09111	1.0
167.03386	2.5
167.08539	2.3
169.05017	8.0
169.06454	1.6
169.10117	4.7
171.04370	1.4
171.08015	1.4
171.11678	3.7
173.02342	1.1
173.05962	3.2
173.09590	3.1
173.11810	6.3
173.13106	1.4
175.03920	12.1
175.07556	2.3
175.11183	6.5
177.01756	1.0
177.05457	3.6
177.12741	2.9
179.03410	2.5
179.07068	1.1
179.08528	1.2
181.05025	1.3
181.06483	1.2
181.10214	1.8
184.07347	6.4
185.05984	2.2
185.09583	3.5
187.03870	2.2
187.07579	2.2
187.11224	7.3
189.05470	3.2
189.09148	2.4
189.11177	1.6
189.12727	1.6
191.03433	4.2
191.10677	1.8
193.04950	3.6
193.12349	4.7
195.02953	1.1
195.08020	1.1
197.09604	3.7
199.03899	3.9
199.07623	1.1
199.11261	4.5
200.04266	1.1
201.05542	1.2
201.09030	1.1
201.12672	1.6
203.03462	1.6
203.10690	2.9
205.04968	2.3
205.08574	2.1
205.12230	4.2
207.06497	1.3
207.13832	3.8
209.09642	1.9
211.07503	1.2
211.13287	1.8
213.05472	1.1
213.09108	2.5
213.12666	1.2
215.07002	1.3
215.10692	5.0
215.12482	0.9
217.05011	2.1
217.08546	1.1
217.12218	4.1
219.06465	1.4
223.11247	1.4
223.13252	2.2
225.09258	2.1
227.10645	2.9
229.12280	1.5
229.14417	1.2
231.10211	3.9
231.13678	1.3
233.11752	5.9
235.06042	1.4
235.13264	3.1
239.12831	1.2
239.23701	3.7
241.08623	1.0
241.12331	4.7
241.14398	1.1
243.10205	5.6
243.13878	2.3
245.11758	5.4
249.14832	1.2
251.05444	1.9
251.10641	2.1
251.12843	5.7
253.12166	2.1
255.10158	5.6
257.24713	2.2
259.13245	3.4
261.11230	5.5
261.14938	2.3
263.12915	1.4
267.16022	4.8
269.11609	5.6
271.09595	2.3
271.13171	2.4
273.11221	1.1
274.11255	1.2
277.14365	3.0
279.12341	3.0
279.15540	1.1
287.12793	16.4
288.13104	1.0
289.11063	1.9
289.14325	8.7
297.10989	2.5
303.12262	1.3
305.13879	8.2
307.15344	2.3
310.60110	0.9
311.25922	1.4
313.10681	1.1
313.27393	93.7
314.27792	6.8
315.12326	11.3
315.27881	1.7
323.14951	3.5
333.13354	21.1
347.14886	1.4
351.10492	1.6
351.14383	18.7
353.15854	1.9
357.13300	0.9
363.18066	2.0
365.15714	1.6
369.15430	3.1
371.16998	3.8
389.15692	1.6
407.17056	29.8
423.16602	13.8
424.16864	13.7
425.18066	71.3
426.18607	2.1
437.84116	1.0
443.19196	35.0
461.19885	1.4
467.37546	1.8
479.34341	0.9
505.38715	4.4
513.19580	1.5
569.22504	1.4
583.39777	1.3
587.23352	8.5
601.40729	4.1
603.38940	6.1
609.40002	9.1
613.37402	1.2
614.37378	2.3
615.37476	2.8
619.41455	2.8
645.39996	39.8
646.39764	1.5
661.39142	1.1
662.39252	1.7
663.41052	88.0
664.41095	3.3
679.40393	1.3
680.40430	3.8
681.42084	100.0
682.42511	4.4
699.43146	8.5
789.44641	2.2
807.45129	2.1
825.46295	22.0
843.46295	2.9
896.47333	1.4
946.34961	1.0
964.20288	1.2
1010.40088	1.2
1058.49805	2.7
1073.29602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03951	1.7
60.04528	15.9
62.99056	0.4
63.22529	0.3
64.95532	0.4
65.03925	0.3
67.85847	0.2
70.02963	0.4
71.07301	0.6
73.11150	0.2
76.06284	0.2
78.03467	0.6
79.05498	11.7
80.05016	0.4
80.05834	0.7
88.03992	2.5
88.56978	0.3
89.03901	0.4
91.05508	0.3
94.77342	0.3
95.04986	1.4
96.04510	2.0
98.20853	0.3
104.05811	0.7
105.04526	0.7
106.06562	100.0
107.04961	1.7
107.06902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02229	33.7
76.03988	1.9
79.05498	11.2
80.05003	1.5
81.03418	19.3
81.07061	8.5
83.04974	2.2
83.06100	1.4
83.08619	6.9
84.04504	9.7
85.02872	0.8
85.04022	3.4
85.06512	0.5
85.09270	0.4
86.99047	1.5
88.02216	0.8
88.26305	0.5
91.05480	12.5
93.07041	7.4
95.04382	0.7
95.04967	9.8
95.08604	4.2
97.01099	0.7
97.02888	4.6
97.06524	1.2
97.10153	4.9
103.05492	0.5
105.06396	0.7
105.07037	9.4
107.04963	4.9
107.08593	5.3
109.06490	2.1
109.10143	4.3
111.04416	0.8
111.08090	2.4
114.03769	1.0
115.05457	1.1
116.01679	11.6
117.06996	3.0
119.04945	0.6
119.08574	7.4
121.06516	2.5
121.10136	2.8
123.04439	1.0
123.08049	1.3
123.71084	0.5
125.09627	4.4
128.06226	0.9
129.07056	3.4
130.05006	8.4
131.04558	0.7
131.08565	5.1
133.06493	2.0
133.10139	5.0
135.08034	2.3
135.11652	0.9
137.09627	1.3
141.04811	0.8
142.03232	5.4
142.07805	0.8
143.08557	1.5
144.01147	6.1
145.06174	1.1
145.10123	2.3
147.08057	3.4
147.11681	2.7
149.09590	1.7
149.13197	0.9
151.11169	0.8
153.09084	0.6
155.08374	0.7
157.10117	4.5
159.11676	1.2
161.09688	1.2
162.02208	20.2
165.12715	1.5
170.02715	3.2
171.11702	0.5
175.11198	3.3
177.03294	5.6
177.12724	0.7
179.04857	32.6
181.06052	0.7
185.03870	1.5
187.05392	1.3
189.11176	1.4
193.12267	6.6
205.06384	0.6
205.12221	1.2
211.13235	0.8
215.04829	1.5
219.13770	0.7
223.13278	8.0
227.12785	2.3
231.04428	1.1
233.05910	9.1
233.15443	0.6
245.05952	2.2
245.18895	0.7
249.14851	1.9
253.14354	2.2
267.15924	28.8
273.18457	4.2
283.47479	0.5
291.06317	1.7
291.19534	43.5
292.19922	0.6
306.07608	1.0
308.09100	100.0
309.09201	0.8
347.22333	0.9
365.23230	25.1
386.09824	0.5
445.25848	1.3
459.27701	0.9
463.26913	1.1
470.14169	2.0
477.28156	0.7
539.33661	1.8
557.34735	31.4
558.34973	1.4
575.35748	0.9
735.38318	0.8
753.39825	0.9
789.37994	0.9
864.43005	1.4
882.44263	6.2
900.45801	0.7
1044.49597	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	1062.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02232	37.1
76.03992	1.8
79.05492	11.0
80.05011	1.2
81.03422	23.4
81.07059	8.6
83.04967	2.2
83.06105	1.0
83.08620	5.8
83.11296	0.4
84.04509	10.4
85.02898	0.9
85.04015	1.7
85.06573	0.5
86.99063	1.9
88.02214	0.7
91.05486	11.5
92.01709	0.9
93.07043	8.6
94.04200	0.5
95.04977	8.9
95.08607	4.0
97.02908	2.4
97.06533	1.8
97.10172	3.6
103.05428	0.5
105.04495	0.6
105.07033	7.4
107.04961	4.0
107.08604	5.5
109.06511	1.5
109.10164	4.4
111.04441	0.6
111.08074	2.2
113.03486	0.7
114.03751	0.9
115.05442	0.8
116.01685	11.8
117.07030	2.6
119.08587	6.9
121.06527	2.1
121.10168	2.9
123.08057	1.5
123.11706	0.5
125.09647	4.1
128.06253	0.6
129.07050	3.6
130.05017	8.3
130.07782	0.6
131.04585	1.5
131.08565	5.2
133.06503	2.0
133.10146	3.7
135.08064	1.8
135.11670	1.1
137.09639	1.3
141.04813	0.7
142.03247	6.2
142.07780	1.0
143.08585	1.3
144.01173	6.7
145.06198	1.3
145.10107	2.0
147.08055	3.3
147.11668	3.3
149.09628	2.4
151.11191	0.5
153.09134	0.5
155.08400	0.5
157.10129	4.3
159.08061	0.6
159.11696	0.9
160.00621	0.5
161.09644	0.9
162.02206	23.3
163.11221	0.9
165.12860	0.7
169.10243	0.5
170.02701	2.5
171.11650	0.9
175.11186	3.4
177.03290	4.8
177.12770	0.7
179.04865	35.5
181.06223	0.5
185.03836	1.2
185.13327	0.6
187.05377	1.8
189.03291	0.5
189.11229	1.7
193.12242	4.7
205.12238	0.8
211.13313	1.2
215.04886	1.5
219.13686	0.5
223.13333	7.3
227.12775	1.4
231.04329	0.7
233.05928	10.0
245.05978	2.3
249.14862	2.0
253.14363	0.8
267.15936	27.9
268.16409	0.6
273.18472	3.7
288.06540	0.7
290.08029	0.9
291.06458	1.5
291.19556	34.6
292.20020	0.7
306.07526	1.0
308.09116	100.0
309.09344	1.2
347.22031	0.6
365.23245	17.4
445.25769	1.5
459.27328	0.8
463.26544	1.6
470.14371	1.5
477.28320	0.7
483.30826	0.6
539.33502	1.8
557.34778	32.6
558.35022	1.8
735.39331	1.0
753.40662	0.6
789.40692	0.5
807.41296	0.8
864.42792	1.3
882.44562	4.7
1044.50098	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	1064.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00664	0.6
75.06370	0.2
76.02229	35.3
76.03989	1.7
77.03918	0.4
79.05494	13.1
80.05028	1.7
81.03419	21.6
81.07057	15.0
82.06580	0.3
83.04984	3.1
83.06099	1.0
83.08618	5.8
84.04503	10.4
85.02901	2.0
85.04025	2.3
85.06535	0.7
86.00661	0.6
86.99027	2.0
88.02208	1.2
88.04003	0.3
91.05482	14.8
92.01699	0.7
93.07045	12.4
94.06553	0.5
95.01347	0.4
95.04367	0.6
95.04971	9.3
95.05567	0.6
95.08607	6.6
96.04473	0.4
97.01119	0.8
97.02899	1.0
97.06528	2.6
97.10170	2.6
98.00632	0.3
98.06065	0.6
99.04477	0.3
99.05583	0.4
99.08100	0.6
100.02158	0.5
103.05462	0.9
105.04533	0.4
105.07034	10.9
107.04960	3.6
107.08598	6.8
109.02842	0.3
109.06536	2.1
109.10154	2.1
111.02672	0.4
111.04434	0.7
111.08074	2.5
112.03965	0.7
113.03463	0.6
113.05993	0.3
114.03771	0.9
114.05517	0.8
115.05467	0.8
116.01676	11.8
116.06212	0.3
117.07024	4.5
119.04977	0.5
119.08585	8.2
121.06512	1.6
121.10139	4.8
122.06047	0.4
123.04425	0.7
123.08065	1.3
123.11710	0.9
124.02177	0.5
125.09629	2.0
127.03914	0.6
128.06232	0.7
129.05551	0.3
129.07036	4.2
130.05006	9.4
130.07813	0.4
131.04498	1.5
131.08568	6.2
132.01155	0.3
133.06499	1.2
133.10136	6.2
135.08058	1.5
135.11691	3.5
137.05927	0.3
137.09595	1.6
141.04813	0.7
141.06993	0.7
142.03242	7.1
142.05014	0.8
142.07768	0.9
143.08609	1.4
144.01167	6.9
144.02321	0.4
144.09335	0.5
145.06151	1.4
145.10120	3.3
146.02747	0.5
147.04395	0.6
147.08101	1.5
147.11682	3.8
149.09634	3.4
149.13248	2.2
151.11183	0.6
153.06642	0.4
153.09155	0.6
155.08525	0.8
156.06706	0.3
157.10133	3.7
159.08047	0.5
159.11697	3.3
161.09685	0.5
161.13316	1.2
162.02202	22.3
163.11182	2.3
165.12801	1.0
168.06609	0.3
169.10127	0.9
170.02705	2.9
171.11690	0.9
173.09520	0.4
173.13290	0.8
175.11217	3.2
177.03284	5.1
177.05521	0.6
177.12769	1.6
179.04854	35.5
181.06137	0.8
181.10107	0.3
181.12187	0.3
183.11711	0.7
185.01047	0.3
185.03841	1.1
185.13219	0.7
187.05351	1.9
187.11124	0.3
187.14830	0.5
188.03719	0.4
189.03217	0.6
189.11246	0.8
189.12779	0.3
191.14339	0.3
193.12236	5.9
195.11757	0.5
195.13817	1.0
197.13326	0.5
199.05338	0.5
199.07024	0.3
199.14793	0.3
201.12766	0.3
208.06053	0.3
210.11250	0.8
211.13225	0.6
211.15074	0.3
213.12944	0.4
215.04825	1.8
216.03235	0.5
219.13927	0.3
227.04845	0.4
227.12825	1.6
229.19591	0.4
231.04333	1.1
233.05916	11.2
238.07054	0.4
239.17989	0.4
245.05949	2.6
247.20642	0.3
249.14786	0.5
250.12709	0.5
253.14311	0.4
255.15912	2.3
257.19003	1.2
265.14529	0.3
267.15921	21.8
268.16251	0.4
269.17477	7.2
272.06979	0.3
273.05307	0.4
273.18472	0.7
274.10400	0.3
275.17297	0.5
275.20099	5.8
276.15875	0.4
285.16794	0.4
288.06357	0.6
289.04977	0.4
290.08047	1.0
291.06400	1.6
293.20987	0.3
299.19986	0.3
301.14163	0.3
306.07556	0.9
308.09106	100.0
309.09335	1.5
309.20975	0.3
322.16498	0.3
331.22739	0.4
341.10260	0.3
349.23727	6.0
350.10306	0.4
351.23007	0.3
355.22760	0.3
367.24738	1.2
369.24335	0.5
388.15250	1.6
396.20038	0.4
421.25555	0.8
429.26328	0.4
434.12506	0.3
435.27444	0.6
437.25305	0.6
443.27609	0.8
447.27390	5.1
449.30338	0.6
452.13358	0.6
459.27170	0.4
461.28995	18.2
462.29288	0.5
467.31961	0.5
470.14169	1.5
501.31927	0.6
523.33777	0.6
527.29999	0.3
541.35260	13.0
542.35394	0.4
559.36261	4.3
587.32593	0.4
590.33466	0.6
605.32751	0.4
639.33417	0.8
670.38550	0.4
719.39423	1.4
737.40161	1.2
750.36798	0.4
754.35931	0.4
755.40881	0.4
768.38110	1.7
772.34375	0.4
773.40234	0.7
786.38153	0.4
791.41150	0.6
848.43335	2.4
866.44824	3.9
884.45813	2.2
885.54181	0.3
899.44598	0.3
902.46100	0.5
930.42133	0.3
1010.47528	0.7
1028.50647	1.3
1046.51526	3.2
1064.51648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
75.24870	0.6
77.03953	0.6
79.05149	0.4
79.05494	23.0
81.03420	11.4
81.07057	36.3
83.04987	2.4
83.08618	3.7
85.02905	3.2
85.06561	2.4
91.03951	1.9
91.05484	24.0
91.95385	0.7
93.07047	28.8
95.01328	4.7
95.04976	8.0
95.08608	26.2
97.02895	2.6
97.06540	3.2
97.10190	2.3
98.20734	1.6
99.08088	1.0
101.02417	0.8
103.05472	1.5
105.04524	0.7
105.07035	19.5
107.04961	4.6
107.08600	16.3
109.02897	1.0
109.06530	3.5
109.10166	11.6
111.04414	0.7
111.08092	1.9
111.11733	0.7
115.05459	1.4
116.06225	0.6
117.07027	9.0
119.04955	1.0
119.08588	16.7
121.02871	1.4
121.06522	6.6
121.10143	12.8
123.04431	1.7
123.08098	2.7
123.11739	3.5
125.02381	1.6
125.09605	1.2
127.03904	1.4
128.06197	1.5
129.07027	7.7
131.08577	16.6
133.06500	2.4
133.10139	13.4
135.04454	1.9
135.08051	3.6
135.11697	8.7
137.02478	0.7
137.06029	1.5
137.09634	2.3
139.03960	1.3
139.11180	0.9
141.01848	2.2
141.07016	2.1
143.08566	8.1
145.06575	1.2
145.10126	14.5
147.04410	3.4
147.08055	3.0
147.11707	8.3
149.06004	1.9
149.09665	1.6
149.13275	5.6
151.03900	1.3
151.11151	0.7
155.08607	3.5
157.10135	6.2
159.08089	1.4
159.11694	13.1
161.06015	1.2
161.09651	1.6
161.13271	7.1
163.03917	2.9
163.07555	0.7
163.11211	1.5
163.14925	1.4
165.05595	1.1
167.08540	0.9
169.10107	4.5
171.08035	0.7
171.11676	9.7
173.06050	0.9
173.13278	8.0
175.11221	1.1
175.14906	2.7
177.12805	4.8
179.08609	0.7
179.14346	1.1
181.10199	1.9
183.08070	0.9
183.11737	3.4
185.09709	1.1
185.13269	5.3
187.11197	1.8
187.14886	3.9
189.12796	2.7
189.16417	0.6
191.14342	0.9
193.10384	0.7
195.08032	0.6
195.11758	2.0
195.13809	0.7
197.13287	3.9
199.11301	1.0
199.14859	2.5
201.12689	1.4
201.16466	2.2
203.14342	0.7
205.01791	0.6
205.10376	0.6
205.12318	1.8
205.15819	0.8
207.11882	1.3
207.13789	11.8
209.09816	0.7
209.13353	1.8
211.11250	0.9
211.14943	1.6
213.12747	1.0
213.16504	1.5
215.14365	1.5
219.13864	1.3
223.14958	1.3
225.12820	0.8
225.16510	1.2
233.15479	1.7
235.11298	0.8
237.16628	0.8
239.18147	0.7
241.19678	1.3
243.13924	1.9
243.21133	1.0
245.15396	1.1
247.13226	0.8
253.19695	0.9
259.20612	3.8
261.14832	5.6
261.22238	2.1
265.14478	1.3
265.19467	0.7
279.16022	0.9
283.70718	0.6
285.22324	1.6
289.14343	7.9
289.21634	0.8
291.15854	1.0
293.13980	0.9
293.17816	0.9
293.21255	1.0
303.23361	2.3
307.15457	5.8
317.24808	1.1
325.16562	2.6
325.25189	0.7
333.24426	2.4
335.14810	3.2
335.25836	32.4
353.15955	2.9
427.19678	26.3
427.25476	1.4
429.21420	1.5
437.34076	5.2
445.20837	1.8
447.32489	0.9
455.35416	1.9
471.34927	0.8
473.36389	0.8
491.26898	0.9
511.37943	3.4
511.53271	0.6
513.33838	1.1
529.38916	62.8
530.39410	3.8
531.34869	1.2
549.35815	2.4
551.28479	0.8
551.36920	1.5
559.33881	1.8
565.29645	1.0
567.37006	2.4
569.29742	1.4
577.35272	3.2
583.31824	1.2
585.38135	1.2
595.37537	4.1
603.37128	0.8
605.38232	1.5
609.31976	1.2
613.37494	9.9
615.36969	0.9
621.38324	0.9
623.39899	1.9
625.41144	0.8
631.37537	2.9
632.15814	0.6
633.38586	3.1
641.40717	2.0
651.38818	4.7
659.41699	1.9
669.39899	5.6
687.41040	54.4
688.41699	2.0
705.42084	100.0
706.42566	3.5
849.46008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03943	2.0
79.05495	27.9
81.03426	15.5
81.07062	40.0
83.04987	3.4
83.08638	4.6
85.02913	6.9
85.06558	2.8
91.03953	2.2
91.05483	32.5
93.07050	38.1
93.07642	2.0
95.01328	5.6
95.04981	10.4
95.08610	28.7
97.02892	3.5
97.06532	4.9
97.10161	2.7
99.04478	1.1
99.08105	1.3
103.05459	1.3
104.10724	1.2
105.07037	25.5
107.04942	6.0
107.08601	19.2
109.02890	1.4
109.06533	4.6
109.10167	13.3
111.00796	1.2
111.04459	1.6
111.08089	2.5
113.02259	1.0
115.05466	2.7
117.07024	12.5
119.04942	1.6
119.08586	21.3
121.02842	1.3
121.06511	9.1
121.09348	1.2
121.10156	14.6
123.04451	2.6
123.08096	4.8
123.11687	5.8
125.02396	1.4
125.09642	2.2
127.03947	1.1
128.06252	3.1
129.07005	9.3
131.04942	2.1
131.08580	21.7
133.06476	3.9
133.10138	16.9
133.11095	1.5
135.04388	1.6
135.08057	3.6
135.11696	10.3
137.05975	1.4
137.09579	2.2
139.03844	2.3
139.11211	1.7
141.01828	3.2
141.07019	2.9
143.08553	9.7
145.06493	2.9
145.10135	17.8
146.43700	0.9
147.04422	3.0
147.08052	2.7
147.11687	9.3
149.06007	1.9
149.09636	3.1
149.13286	6.8
151.07590	1.1
151.11186	1.1
151.90536	0.9
155.08571	4.5
157.10155	9.5
159.08054	2.4
159.11705	16.9
161.05998	1.3
161.09644	2.2
161.13283	7.2
163.03931	3.0
163.07556	1.3
163.11192	3.2
165.05568	1.0
167.08597	1.3
169.10149	4.8
171.07970	1.3
171.11717	13.0
173.06035	1.0
173.09509	1.3
173.13286	9.7
175.07518	1.1
175.11163	1.7
175.14870	1.5
177.03998	1.0
177.12773	4.8
179.14388	1.3
181.10097	2.5
183.11736	5.5
184.07390	0.9
185.09572	1.2
185.13260	5.1
187.07596	1.5
187.11214	2.0
187.14827	4.6
189.12744	4.4
191.14273	1.5
193.10225	1.2
195.11717	2.0
197.13272	5.2
199.11189	1.2
199.14828	4.5
201.12764	2.0
201.16460	1.8
205.12263	2.3
207.11821	0.9
207.13760	16.8
209.13240	1.4
211.11307	1.0
211.14864	2.1
213.16498	1.3
219.11769	1.0
219.13734	1.9
221.13315	1.0
221.15312	1.2
223.14893	1.2
229.12061	1.1
233.15404	3.3
239.18022	1.1
241.19518	1.6
243.13905	2.2
245.15361	1.9
247.13255	1.8
249.18547	1.4
259.20642	3.5
261.14844	6.9
261.22110	3.3
263.16425	1.6
275.20181	1.1
277.14542	1.1
285.22186	2.2
289.14343	11.5
291.15884	2.6
293.17496	1.7
299.12756	1.3
301.21820	1.1
303.23178	2.3
307.15390	6.2
311.23572	1.4
325.16504	5.1
333.24249	2.8
335.14926	5.5
335.25842	22.8
353.16122	3.7
381.19046	1.2
419.32803	1.3
427.19675	57.5
428.19931	1.6
429.21405	4.8
437.34238	5.5
439.30402	1.2
445.20685	4.6
455.35095	2.4
465.33514	1.2
473.36124	1.8
481.31567	1.0
506.72507	1.1
511.38055	2.9
529.38934	66.2
530.39203	3.4
531.34650	1.6
549.35620	2.4
551.29114	1.2
551.36920	1.1
567.36633	1.9
569.29578	1.2
577.35297	1.6
583.31219	1.9
595.35889	4.3
607.39148	1.5
609.32672	2.6
613.37299	10.1
614.38171	1.0
615.37848	1.0
623.39404	3.9
631.38129	2.9
633.37598	3.6
641.40277	3.4
651.38922	3.9
659.41339	2.1
669.40009	6.7
687.41046	53.7
688.40405	1.4
705.42145	100.0
706.42218	3.6
849.45264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02387	0.4
53.03952	5.2
62.99089	1.0
71.02704	0.9
73.60289	0.3
74.50520	0.3
77.03947	1.4
79.05504	100.0
80.05846	0.4
81.03439	0.4
91.05494	1.7
94.69820	0.4
95.04988	4.4
105.04551	2.6
105.07037	0.7
107.04969	15.8
107.08614	0.9
108.08177	0.4
108.30907	0.3
108.55546	0.4
114.55331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.24193	0.6
53.03950	1.5
59.05429	0.7
62.99075	2.2
65.03944	10.9
67.05513	2.8
79.05503	16.7
91.05489	100.0
92.06272	1.8
93.02917	0.8
95.04972	2.1
100.79967	0.7
103.05465	0.7
105.04545	0.6
105.07039	33.6
106.04160	0.8
107.04960	14.3
107.08603	57.3
108.08081	1.0
109.06519	14.2
113.83018	0.7
119.06065	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.85718	0.6
53.03947	5.0
55.01871	1.5
59.47004	0.6
61.87174	0.6
62.99086	3.8
65.03949	11.7
67.05521	3.7
71.07529	0.9
77.03950	1.2
79.05502	27.3
81.03410	0.7
91.05491	100.0
92.06291	3.0
95.04988	5.3
96.59193	0.7
102.15383	0.6
105.04552	3.4
105.07040	31.8
107.04226	0.8
107.04967	36.2
107.08606	45.3
108.08124	1.0
109.06528	12.0
119.06075	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03712	1.0
53.03950	16.3
55.01892	4.6
62.99068	3.1
65.03947	8.2
67.05495	1.6
71.52865	1.0
77.03937	3.0
79.05499	41.1
81.03419	1.9
85.21244	0.8
91.05486	72.3
92.06261	2.7
95.04973	17.4
105.04531	7.3
105.07036	22.5
106.04153	0.9
107.04961	100.0
107.08601	38.5
108.04557	0.7
108.05310	1.1
108.08138	0.8
108.08949	0.6
109.06517	10.8
119.06071	7.9
120.57172	0.7
124.05231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03949	9.5
55.01875	1.3
55.05506	1.2
56.85467	0.7
56.96556	0.9
61.04864	1.0
62.99076	5.9
65.03944	10.3
66.04269	0.9
67.05499	5.4
71.52320	1.2
76.73239	0.7
77.03923	2.3
79.05497	100.0
79.38065	1.0
81.03427	1.4
91.05483	91.9
92.06274	2.8
93.05792	0.8
95.04967	10.8
105.04503	4.9
105.07034	25.8
106.04143	1.1
106.05196	0.7
107.04960	50.1
107.08597	41.5
108.08125	3.4
109.06529	10.1
119.06068	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	1080.335
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02232	4.7
76.03975	0.2
77.03926	0.1
79.05495	1.1
81.02994	0.1
81.03420	1.8
81.07059	3.4
83.01343	0.6
83.06131	0.2
84.04505	2.1
84.08139	0.1
85.01129	0.3
85.02908	10.1
86.99039	0.3
87.02684	0.2
87.04465	0.7
91.03486	0.1
91.03947	0.5
91.05470	0.3
93.03410	0.1
93.07056	0.1
95.01320	0.1
95.04957	0.5
95.08607	0.2
96.08114	0.1
97.02900	4.0
98.06068	0.1
98.20770	0.1
99.04453	0.8
101.02379	0.1
103.05457	0.2
105.03380	0.1
107.04935	0.2
107.08572	0.2
107.14889	0.1
109.02890	1.3
110.09676	0.1
112.03947	0.2
113.02367	0.2
113.04216	0.4
114.03692	0.1
114.05491	0.3
115.03959	0.1
116.01676	1.6
117.07018	0.1
119.04892	0.1
119.08523	0.1
121.02862	0.1
121.06487	0.3
123.04440	1.2
123.08080	0.2
124.02187	0.1
127.03927	2.5
130.04997	1.3
130.06880	0.8
130.08623	0.2
131.04944	0.3
133.02861	0.2
135.04401	0.4
135.08029	0.4
137.02347	0.1
139.03918	0.9
141.01865	0.1
142.03236	0.6
142.04996	0.3
144.01146	0.8
145.04964	1.6
145.06268	0.1
147.04401	0.2
149.02287	0.2
149.05966	0.3
151.03908	2.6
153.05437	0.3
155.03401	1.1
155.08540	0.1
159.04408	0.3
159.08057	0.3
161.02351	0.2
162.02199	3.1
163.02557	0.2
163.03915	2.7
163.07512	0.3
165.01807	0.2
167.03389	0.7
167.07112	0.2
169.01407	0.2
169.04965	5.9
170.02701	0.4
170.05264	0.1
173.02408	0.1
173.09653	0.2
177.05466	1.5
177.06882	0.1
177.09210	0.2
179.03386	7.5
179.04875	4.0
180.03801	0.1
181.04958	10.7
182.05208	0.2
183.02884	0.7
183.08069	0.4
184.09747	0.5
185.04445	0.7
187.02380	0.1
187.03896	1.0
187.05443	0.3
187.07486	1.0
191.03387	0.3
191.06807	0.1
193.04945	0.5
195.02817	0.2
195.06558	0.9
195.10052	0.1
197.04457	46.3
198.04782	0.6
200.04781	0.1
201.09171	0.6
203.03358	0.1
203.07112	0.1
205.04959	3.7
205.08580	1.8
206.05460	0.1
207.06564	0.1
209.04488	2.2
209.08078	1.2
211.05858	0.8
211.07657	0.3
215.04860	0.2
216.06863	0.3
218.05626	0.1
219.06813	0.1
219.10202	0.8
221.04301	0.2
222.09010	0.2
223.06039	7.0
223.09550	2.2
228.33427	0.1
229.08575	1.1
233.05927	1.6
233.09518	0.3
236.06784	0.3
237.07491	0.2
237.11226	0.3
245.05806	0.3
247.07111	0.2
247.09682	3.3
265.10709	100.0
266.11038	2.0
290.07983	0.2
291.06458	0.2
308.09113	14.3
309.09195	0.2
362.13885	0.7
427.16006	60.1
428.16452	1.7
470.14359	0.1
472.21573	0.1
572.18970	0.3
969.05389	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	1080.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02225	4.7
79.05494	0.8
81.03415	1.8
81.06596	0.2
81.07052	3.8
83.01328	0.7
83.06092	0.1
84.04499	2.6
84.08140	0.2
85.01112	0.2
85.02902	10.5
86.99029	0.3
87.02666	0.2
87.04463	0.6
88.02185	0.2
91.03983	0.7
91.05462	0.4
95.04955	0.5
97.02891	4.3
98.82341	0.1
99.04455	0.7
107.04942	0.3
107.08601	0.2
109.02876	1.8
112.03950	0.2
113.04238	0.2
114.05531	0.3
115.03881	0.1
116.01677	1.7
118.37482	0.2
121.06503	0.2
123.04460	1.3
123.08082	0.3
126.34824	0.1
127.03918	2.8
130.04994	1.2
130.06860	0.6
130.08592	0.2
131.04932	0.3
133.02882	0.2
135.04405	0.5
135.08044	0.4
137.09523	0.1
139.03906	0.8
142.03227	0.8
142.05037	0.4
144.01163	0.9
145.03938	0.2
145.04967	1.9
145.06232	0.2
145.10130	0.2
147.04442	0.4
149.02351	0.2
149.05988	0.3
151.03906	2.2
153.05466	0.3
155.03419	0.9
159.04393	0.5
159.08041	0.3
161.02306	0.3
162.02205	3.3
163.03905	2.5
163.07475	0.3
165.01791	0.2
167.03444	0.6
167.07030	0.2
169.01338	0.3
169.04961	5.6
170.02748	0.4
173.09644	0.2
177.05466	1.6
177.09103	0.3
179.03377	7.9
179.04871	4.2
181.04953	10.9
183.02925	0.9
183.08031	0.3
184.09668	0.6
185.04405	0.7
187.02386	0.2
187.03893	1.2
187.05432	0.3
187.07516	1.0
191.03558	0.3
191.06941	0.2
193.04979	0.4
195.02824	0.2
195.06497	1.1
197.04448	48.2
198.04752	0.8
201.09088	0.8
205.04948	3.3
205.08560	1.7
209.04462	2.2
209.08055	1.4
211.05843	1.1
211.07613	0.4
215.04877	0.4
216.06897	0.4
219.10207	0.8
221.04405	0.3
221.08211	0.2
223.06012	7.9
223.09486	2.4
229.08641	1.1
233.05894	1.7
233.09544	0.4
236.06712	0.3
237.07671	0.2
237.11143	0.2
242.43484	0.2
245.05956	0.4
247.09674	3.5
265.10696	100.0
266.11066	1.8
291.06265	0.3
308.09100	14.0
309.09100	0.3
362.13818	0.7
427.15991	63.2
428.16446	1.9
468.70804	0.2
572.18860	0.2
656.62872	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	1080.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02197	0.7
77.03913	1.4
79.05498	37.1
79.05955	1.1
80.05776	0.5
81.03423	12.5
81.07060	42.5
83.01335	0.9
83.04987	4.4
83.08627	8.0
85.02910	5.1
85.06500	2.1
85.10147	0.5
91.03903	1.5
91.05486	35.9
93.03360	1.4
93.07047	39.5
95.00774	0.7
95.01330	9.5
95.04974	11.7
95.08612	33.4
96.08941	0.8
96.54562	0.5
97.02900	6.4
97.06535	4.1
97.10169	4.0
99.04409	0.7
99.08086	0.6
101.02336	1.5
103.03934	0.9
103.05421	1.7
105.03378	1.2
105.04492	1.9
105.07034	21.2
107.04324	0.7
107.04960	9.7
107.08598	20.9
108.08916	0.5
109.02879	3.7
109.06511	4.6
109.10159	21.7
111.00773	1.4
111.04411	1.9
111.08099	3.1
111.44994	0.5
113.02319	1.6
113.09638	0.6
115.05448	3.0
117.07023	10.7
119.04964	3.4
119.08588	18.5
121.02839	1.8
121.05785	0.6
121.06504	6.3
121.10149	17.6
122.59246	0.6
123.00754	1.6
123.04430	5.4
123.08049	3.6
123.11727	4.2
125.02323	2.2
125.05988	0.8
125.09634	3.4
127.03908	2.8
127.11076	0.5
128.06192	2.0
129.07019	8.6
130.07742	0.6
131.04955	4.8
131.08575	17.4
133.02866	1.1
133.06503	5.4
133.10136	14.9
135.04411	7.0
135.08067	5.0
135.11705	10.4
137.02255	1.3
137.05994	3.2
137.09662	2.8
137.13206	1.5
139.03937	2.7
139.11131	0.7
141.01822	3.0
141.05486	0.8
141.06931	3.1
142.07777	1.2
143.04904	0.6
143.07697	0.6
143.08566	7.0
145.06474	4.9
145.09077	0.9
145.10136	12.2
147.04424	11.5
147.08052	3.3
147.11693	10.9
148.11948	0.5
149.02313	1.7
149.06000	4.2
149.09633	4.2
149.13274	6.7
151.03911	8.6
151.07480	0.8
151.11125	1.6
153.05411	1.9
153.06964	1.4
153.09064	0.9
154.07782	0.9
155.03410	0.6
155.08578	5.4
155.10631	1.3
157.06522	3.4
157.08926	0.8
157.10133	9.1
159.04385	2.2
159.08092	3.0
159.11691	11.0
161.02289	1.4
161.06007	4.8
161.09604	2.7
161.13266	4.4
163.03954	6.0
163.07471	2.0
163.11154	2.1
163.14777	1.8
165.01801	1.0
165.05414	1.5
165.06972	2.1
165.09105	0.8
165.12761	1.2
166.07777	1.1
167.03362	1.1
167.08601	2.5
168.09331	0.9
169.04932	3.5
169.06354	1.2
169.10149	5.5
171.04439	1.0
171.08115	2.9
171.11682	7.3
173.02203	0.5
173.04565	0.7
173.05972	3.7
173.09660	2.8
173.11713	3.6
173.13232	6.0
175.03909	6.9
175.07515	1.8
175.09985	0.5
175.11203	5.4
175.14796	2.3
177.05495	3.1
177.12758	4.0
177.16393	0.8
178.07721	0.7
179.03352	1.9
179.04753	0.6
179.07098	1.3
179.08557	1.6
179.10565	1.0
181.04909	1.5
181.06453	1.0
181.10127	4.0
183.08025	1.8
183.11653	3.2
184.08841	1.0
185.05913	1.8
185.09598	3.3
185.13280	3.0
187.03851	1.9
187.05571	0.5
187.07596	2.7
187.11197	5.7
187.14813	2.4
189.01802	0.8
189.05492	2.8
189.09055	1.8
189.11188	1.1
189.12750	2.3
191.03429	2.5
191.06970	1.4
191.10597	0.9
193.05008	3.2
193.08516	0.6
193.10487	0.8
193.12227	5.4
195.02798	0.6
195.08043	1.3
195.11642	2.2
197.06000	0.7
197.09599	3.2
197.13264	2.3
199.03896	1.9
199.07515	2.0
199.11176	3.8
199.14748	1.9
201.05406	1.5
201.09055	1.8
201.12784	1.1
201.16364	0.9
203.03419	1.7
203.10724	2.8
205.05000	1.1
205.10127	1.5
205.12216	4.1
207.08243	0.9
207.09975	0.7
207.11874	1.0
207.13773	2.2
209.09575	1.8
209.13246	1.1
211.07549	0.9
211.11281	1.0
211.13077	3.4
213.05531	1.3
213.09077	1.4
213.12689	1.9
215.07063	0.6
215.10661	5.2
217.04948	1.3
217.08542	1.0
217.12256	3.6
219.13797	0.8
221.04414	0.8
221.11546	1.1
221.13420	0.9
223.11209	1.5
223.13225	1.2
225.09035	2.3
225.12694	1.9
225.16484	0.9
227.10880	2.7
227.12701	1.0
229.08543	0.7
229.12218	1.2
229.14201	1.1
231.06535	0.7
231.10181	1.1
231.13728	1.4
233.11688	4.2
233.15285	0.9
235.11177	0.8
235.13298	1.9
237.12746	0.7
237.16437	0.8
239.12747	1.0
239.17966	0.8
241.08571	0.6
241.12198	3.8
241.19417	0.7
243.10234	4.5
243.13803	1.2
243.21176	3.0
245.11719	5.0
247.13388	0.8
249.14926	0.9
251.10591	1.9
251.12827	3.8
253.08591	0.6
253.12224	0.7
255.10149	2.1
259.09454	0.8
259.13324	3.6
259.20575	4.2
261.11237	4.4
261.14804	1.6
261.22171	9.2
263.12820	2.3
265.14450	0.5
267.15854	2.6
269.11697	6.3
269.14255	0.6
271.09674	1.4
271.13278	2.4
273.11237	1.6
277.14392	2.2
279.12314	1.9
285.11426	0.6
285.22238	1.1
287.12799	17.8
289.14334	4.6
289.21475	0.7
297.11218	2.3
297.13892	0.8
303.12170	0.8
303.23312	1.3
305.13901	6.3
307.15479	1.3
315.12277	11.6
315.23230	1.1
317.24899	1.1
323.14902	2.7
327.23489	0.7
333.13345	15.6
333.24268	4.2
335.25818	77.8
336.26154	2.7
337.26373	0.8
351.14407	16.8
353.15891	1.1
363.18448	1.2
369.15372	2.1
371.16986	1.1
389.16080	1.3
407.17001	20.6
408.17657	0.9
417.31851	0.6
423.16476	0.7
425.18082	19.9
427.19727	3.1
435.32730	1.1
443.19156	17.7
444.19559	0.8
457.25543	0.6
489.35965	0.6
509.36307	0.7
511.32303	0.7
513.19531	1.0
527.37451	8.4
529.33081	0.8
531.34955	0.7
545.38477	7.2
557.32690	0.9
565.35022	1.3
567.37170	0.6
575.33655	1.8
583.36346	1.6
587.23706	2.6
593.34851	3.9
597.37872	0.8
601.37036	0.9
605.38861	0.8
607.36371	1.4
611.35876	5.6
613.37543	2.9
621.38171	0.8
623.39502	3.7
625.37433	4.0
629.36694	2.4
631.38257	2.1
637.37311	1.6
639.39349	1.2
641.40582	2.9
643.38495	1.1
649.37476	5.3
655.39056	0.6
657.39496	1.9
659.41309	1.7
666.37152	0.7
667.38403	61.3
668.38660	3.3
683.38739	0.8
684.38257	1.4
685.39478	76.4
686.39722	4.1
701.39075	0.9
702.39569	1.5
703.40497	100.0
704.41327	3.8
707.42358	0.7
721.41626	17.3
722.41736	0.7
775.42328	1.3
777.28320	0.6
811.42682	2.0
829.43768	2.1
847.44763	18.0
848.45227	0.8
854.48151	1.5
865.45319	2.7
910.02863	0.6
934.92303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03948	6.9
55.01884	3.6
55.05507	0.6
59.78439	0.3
65.03948	2.5
66.04691	0.4
67.05509	10.9
69.07092	0.6
70.87031	0.6
74.81410	0.3
77.00235	0.4
77.99945	0.9
79.05500	26.5
81.03426	6.5
81.07063	27.7
86.00690	2.4
86.50623	1.5
87.00479	4.2
91.05494	7.5
93.32819	0.4
94.04182	2.1
107.04983	1.1
109.02925	2.0
109.06525	100.0
109.10158	4.9
110.06075	0.7
110.06821	0.6
111.96854	0.7
113.96403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03952	4.9
55.01879	4.0
55.05524	2.1
64.93961	0.4
65.03938	2.3
66.04705	0.5
67.05508	17.7
69.07054	1.1
70.96780	0.6
70.97116	0.8
72.10657	0.4
74.99835	0.7
77.00172	0.8
77.50121	0.8
77.99937	1.5
79.05495	26.8
81.03429	5.3
81.07063	29.8
86.00714	4.8
86.50626	5.1
87.00472	7.0
91.05487	8.8
92.05834	0.5
94.04205	1.9
95.01219	0.7
95.04979	0.5
98.01418	0.5
98.51253	0.4
100.15517	0.4
100.52522	0.4
107.04975	0.6
107.08578	0.4
109.02898	1.4
109.06524	100.0
109.10161	12.6
110.06039	2.0
110.06776	0.6
111.96878	1.8
112.96724	1.0
113.96403	2.4
129.97896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	1.7
55.05517	5.8
65.03945	5.2
65.99323	0.8
67.05512	100.0
68.05851	0.6
69.07082	2.5
69.93102	3.0
70.59370	0.5
74.99833	2.9
77.00199	0.6
77.50107	1.6
77.99939	2.7
79.05496	5.6
80.06307	0.6
81.03430	2.6
81.07066	23.7
82.06586	0.6
82.23682	0.6
84.00384	0.7
86.00719	2.2
86.50635	8.9
87.00478	6.8
88.50969	0.6
89.00910	0.7
91.05497	1.5
94.04197	0.9
94.07885	0.9
95.51129	0.7
98.01411	1.5
98.51254	1.3
107.08601	2.6
109.06544	5.5
109.07774	2.7
109.08477	1.8
109.10169	32.9
110.06072	2.8
111.96928	0.7
112.96745	3.5
113.96456	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	1096.554
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03932	2.1
79.05496	43.3
81.03429	6.8
81.07061	52.8
83.01368	1.0
83.04957	3.8
83.08218	1.1
83.08627	11.8
84.04507	1.3
85.02908	9.2
85.06531	3.5
91.03928	1.7
91.05487	44.7
92.05731	1.2
93.07047	41.9
95.01334	45.1
95.04972	10.9
95.08614	39.8
97.02921	6.2
97.06519	3.9
97.10172	8.3
101.02390	1.3
103.05476	2.5
105.03345	1.4
105.04488	1.5
105.07034	25.0
107.04961	5.7
107.08599	25.0
109.02863	2.9
109.06507	3.8
109.10162	100.0
111.04406	1.5
111.08089	5.9
113.02386	9.9
115.00005	1.0
115.05486	2.5
117.07029	15.2
119.04921	1.8
119.08585	24.9
121.02850	1.3
121.06488	4.4
121.10154	15.1
123.04404	4.2
123.08050	3.5
123.11716	9.3
125.02351	3.3
125.09682	6.2
127.03953	2.4
128.06212	4.3
129.05482	2.6
129.07018	8.0
130.04977	1.3
130.17542	1.0
131.08569	19.2
133.06488	3.8
133.10141	16.5
135.04410	4.8
135.08044	2.4
135.11731	13.3
136.11861	1.2
137.06038	2.7
137.09625	5.9
137.13226	2.3
139.03909	1.9
139.11171	1.4
141.07002	3.7
142.07776	2.7
143.07182	0.8
143.08583	8.1
145.04985	1.2
145.06487	3.3
145.10144	18.6
147.08018	2.3
147.11699	11.0
149.05942	1.2
149.09618	3.7
149.13283	7.3
151.03917	7.7
153.05614	1.1
155.08588	5.2
155.10582	8.2
157.06459	1.5
157.08992	1.0
157.10143	7.7
159.08093	2.4
159.11726	11.1
161.09593	2.4
161.13258	8.2
163.03934	1.6
163.11159	3.2
163.14769	1.9
167.08537	2.1
169.04926	1.5
169.10120	4.5
171.08028	1.3
171.10300	1.2
171.11659	5.2
173.05956	1.2
173.09595	2.3
173.10109	1.9
173.11729	25.7
173.13255	6.2
175.11174	4.5
175.14876	2.8
177.01556	1.1
177.05411	1.3
177.16420	2.0
177.61853	1.2
179.03400	1.8
179.08482	1.6
181.04936	1.1
183.08043	1.6
183.11653	5.3
185.09592	2.9
185.13240	2.5
187.11111	1.9
187.14851	5.2
189.09052	1.2
189.11217	2.5
189.12720	2.4
189.16484	1.1
191.03241	1.5
193.10211	1.2
193.12262	3.1
195.11684	2.1
197.04500	3.3
197.13214	3.5
199.11147	1.9
199.14819	3.6
201.09094	1.4
201.12700	1.8
201.16420	2.2
203.10547	1.2
203.14319	1.3
207.11774	1.4
209.13219	1.4
211.13152	1.6
211.14929	2.1
213.03952	1.4
213.16423	1.5
215.10538	1.8
215.14206	1.6
217.12183	1.2
219.17241	1.6
223.14781	2.6
225.03973	2.4
225.12773	1.5
225.16357	1.5
227.12706	1.6
229.14359	70.6
235.14818	1.6
243.21118	2.9
259.20575	4.3
261.22156	11.6
267.15945	1.4
273.22064	1.5
277.21588	2.9
285.18854	1.4
285.22076	2.7
287.12762	2.1
287.15994	1.2
289.21606	1.4
299.23602	3.6
303.23196	2.1
309.22131	4.1
315.23163	1.4
317.24557	1.4
324.56247	1.1
327.23221	10.4
329.24768	4.2
333.24234	2.3
335.25821	45.5
337.21539	3.9
345.24274	4.1
349.12747	1.3
351.14447	1.9
355.22632	7.5
355.34915	1.3
369.15158	2.0
372.03555	1.2
373.23364	1.5
401.26599	3.1
405.15036	1.2
411.25256	2.2
417.26257	2.3
417.85220	1.1
419.27872	1.4
423.16342	2.9
427.24872	1.8
429.26266	1.5
433.31259	1.5
441.17502	2.3
445.25867	2.8
447.27475	2.2
455.23990	2.2
459.18661	39.4
464.82410	1.1
473.25446	5.1
477.19647	1.5
489.35736	13.0
491.26050	2.3
506.19843	1.2
509.32901	1.3
543.36609	3.3
545.38239	1.7
555.36444	2.0
583.36096	2.0
601.37164	3.1
609.34052	2.3
621.23975	1.3
627.35309	1.9
645.35992	1.3
647.36981	1.4
665.36713	2.1
683.37476	7.4
701.38770	12.4
719.39984	49.1
720.40253	2.1
737.41064	82.0
738.40936	4.5
881.43591	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03950	1.4
79.05496	32.9
81.03429	7.6
81.07059	51.8
83.01326	1.9
83.04985	4.4
83.08624	12.1
85.02908	6.5
85.06547	3.6
91.03954	2.6
91.05486	34.8
93.07050	32.6
95.01334	45.6
95.04978	7.9
95.08611	33.3
95.25626	1.3
97.02911	5.6
97.06543	3.7
97.10184	6.7
99.04480	1.2
103.05437	1.4
105.04491	2.1
105.07028	21.7
105.97895	1.5
107.04960	3.2
107.08605	22.8
109.02883	2.8
109.06540	2.3
109.10164	100.0
110.10464	1.7
111.04436	1.8
111.08096	5.2
113.02374	8.6
115.05469	1.9
117.07024	11.0
119.08586	22.6
121.06504	3.3
121.10152	15.2
121.45440	1.2
123.04432	4.5
123.08051	2.6
123.11743	6.9
125.02368	2.7
125.09669	6.8
127.03918	2.1
127.11201	1.2
128.06262	2.8
129.05466	2.8
129.07008	7.2
131.08563	14.1
133.02812	1.0
133.06494	4.1
133.10106	11.6
135.04428	4.5
135.08095	2.2
135.11723	8.8
137.05978	2.4
137.09621	6.7
137.13264	1.6
137.24629	0.9
139.03906	1.7
139.11235	1.2
141.06987	3.9
142.07794	2.2
143.08575	5.5
145.06516	3.8
145.10123	12.9
147.04439	2.3
147.08047	2.0
147.11678	9.5
149.09668	1.7
149.13275	5.4
151.03922	5.6
151.11246	1.4
153.05447	1.4
155.03317	1.1
155.08597	3.6
155.10632	9.0
157.06520	1.1
157.10133	7.4
159.08041	3.1
159.11722	7.8
161.09618	2.3
161.13286	4.7
163.11154	1.8
163.14847	3.0
167.08527	2.4
169.10143	4.2
171.08083	1.5
171.10312	1.6
171.11703	5.5
173.09589	2.2
173.10133	1.9
173.11754	30.6
173.13287	6.7
175.11223	4.1
175.14882	2.1
179.03423	1.5
181.10107	2.2
183.08078	1.1
183.11711	3.1
185.06134	1.2
185.09636	1.9
185.13329	2.8
187.11197	2.9
187.14803	3.9
187.62253	1.1
189.11230	2.5
189.12808	1.7
193.12271	1.9
195.02910	2.0
195.11699	3.0
197.04457	3.3
197.09653	1.6
197.13330	2.8
199.11241	1.6
199.14915	2.4
201.09149	1.5
201.12743	1.2
201.16382	1.9
203.10663	2.2
211.11249	1.4
211.14830	1.6
211.20602	0.9
213.12813	1.0
213.16304	1.1
225.12726	1.5
227.12749	2.8
229.14359	89.7
230.14830	1.8
237.16383	1.4
243.21082	2.6
259.20605	3.4
261.22189	7.0
267.16083	1.6
269.99258	1.1
275.19998	1.5
277.21741	3.0
285.22049	2.5
299.23706	2.8
303.23080	1.7
309.22229	2.5
317.24902	2.3
327.23187	7.5
329.24786	3.0
333.24268	2.8
335.25818	44.5
336.26273	1.4
337.21698	2.2
337.27081	1.4
341.15918	2.3
341.24814	1.5
345.24329	1.5
351.14560	1.8
351.25186	1.7
355.22723	5.2
369.15146	1.0
372.03259	2.1
373.23529	2.4
401.26785	2.0
423.16397	2.8
425.17838	1.4
425.23816	1.1
429.26343	2.0
441.17615	1.9
459.18619	51.1
461.20401	1.7
463.32352	1.3
473.24988	5.0
477.19540	4.0
489.35837	12.0
491.26108	2.0
503.55600	1.2
505.35226	1.6
509.32288	1.8
525.35492	1.2
543.36511	2.9
565.28864	1.1
583.36053	2.8
601.36975	2.8
621.23730	2.0
627.34540	1.2
645.35852	1.8
683.38580	4.1
701.39319	7.1
702.39539	1.5
719.39990	33.3
720.41345	1.5
737.41089	82.7
738.41016	4.2
763.89185	1.1
1034.90381	1.2
1096.55383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1173
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.03953	1.6
55.05519	29.4
57.07084	1.0
58.06610	0.7
67.05521	1.4
69.07078	100.0
70.07407	0.5
83.04999	0.5
83.06104	0.9
83.08650	0.4
88.00518	0.6
97.01028	0.6
111.04451	0.7
111.05597	3.2
111.06362	0.9
111.09241	1.6
111.11757	1.1
112.07593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0964
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
53.03944	0.9
55.05511	6.9
57.03438	6.3
57.07070	1.0
65.03939	1.5
67.01848	0.4
67.05505	44.1
68.05025	1.8
68.05855	0.5
69.03430	0.9
69.07069	19.6
70.02948	1.4
70.06596	2.1
70.56455	0.3
71.04996	7.3
71.52796	0.6
71.94106	0.8
72.93776	1.8
80.06246	0.4
81.34674	0.3
85.06541	1.4
86.06064	0.4
86.64460	0.3
89.00275	0.9
89.50310	0.8
90.00140	3.2
90.94823	1.1
91.05496	0.8
93.07049	8.1
95.01323	0.8
95.04966	2.4
95.08607	100.0
96.00851	0.8
96.04490	1.9
96.08936	0.8
98.00802	0.8
98.50802	1.0
99.00655	1.2
101.01125	0.7
113.00038	4.3
113.02370	20.8
113.03501	4.1
113.04304	0.6
113.06007	2.7
113.07170	1.8
113.07898	0.7
113.09643	9.9
113.10787	0.9
114.05531	1.2
114.09171	2.9
119.95778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56535	0.1
56.05013	0.1
56.43575	0.1
57.94485	0.1
68.05030	0.2
69.86697	0.4
69.87105	0.2
70.06593	100.0
71.06923	0.3
95.30393	0.1
98.06036	0.2
101.55630	0.1
112.03336	0.1
116.07092	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	116.0709
Annotation	D-Proline
Peak:m/z	Relative Intensity
51.84341	0.1
52.66420	0.1
53.53763	0.1
68.05039	0.2
68.47547	0.2
70.06594	100.0
70.90209	0.2
70.90527	0.2
71.06927	0.4
111.09808	0.2
116.07096	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.3
70.06594	100.0
70.56074	0.2
70.56434	0.4
71.06924	0.4
72.08156	2.2
74.02435	0.4
74.93840	0.4
88.58356	0.2
98.06050	0.3
116.07095	15.0
116.10770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1172.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03421	18.3
81.07060	5.0
82.03712	0.2
83.04967	0.8
83.06090	0.6
83.08150	0.3
83.08622	5.5
84.04505	8.1
85.02905	2.4
85.04017	1.0
85.06546	0.2
85.10186	2.9
86.09711	0.2
86.99039	1.0
88.02214	0.9
89.06026	0.5
91.03477	0.2
91.03947	1.0
91.05485	4.4
92.01717	0.3
93.07050	1.8
94.06548	0.2
95.04973	5.7
95.08612	5.4
97.01125	0.2
97.02888	1.8
97.06516	0.2
97.10167	1.6
98.06043	0.2
99.08119	0.3
100.02228	0.3
100.95708	0.2
103.07577	0.3
105.07035	3.0
105.84917	0.2
107.04966	1.3
107.08607	0.9
109.02917	0.3
109.06497	0.6
109.10157	2.6
111.04433	0.5
111.08098	1.2
111.11721	0.2
112.03954	0.3
113.03477	0.5
114.03738	0.6
115.05434	0.3
116.01682	10.0
116.06238	0.2
117.07015	0.4
119.04927	0.3
119.08592	2.6
121.06503	0.8
121.10126	1.6
123.04428	0.5
123.08041	0.3
123.11712	0.9
124.02162	0.3
125.09621	0.3
126.05460	0.3
127.03909	0.6
128.06250	0.3
128.07089	0.4
129.07053	2.4
130.05008	5.7
131.04562	0.7
131.08580	1.8
133.06476	0.6
133.10139	0.9
135.11780	0.2
137.09645	0.3
137.13255	0.4
141.04810	0.5
142.02121	0.3
142.03235	5.5
142.07759	0.6
143.08617	0.3
144.01146	6.5
145.04939	0.6
145.06082	0.3
145.10164	0.3
146.02701	0.4
146.08134	0.3
147.04324	0.2
147.08043	0.8
147.11671	2.0
149.09634	1.0
157.10136	2.8
162.02209	21.5
163.06015	0.5
163.11151	0.4
165.12761	0.4
170.02724	2.3
175.11203	2.9
177.03308	2.5
179.04860	32.9
180.05164	0.4
184.07365	0.7
185.03888	0.3
186.02136	0.2
187.05328	1.3
188.03793	0.3
192.06525	0.2
193.12251	8.6
199.05386	0.4
205.06538	0.2
208.06047	0.5
211.13354	0.9
215.04877	1.6
216.03322	0.4
227.04976	0.3
229.67491	0.2
231.04507	0.3
233.05923	9.4
235.13257	0.5
238.07086	0.3
239.23796	0.6
245.05931	2.0
249.14972	0.4
250.12671	0.3
257.24609	0.9
258.14951	0.2
259.13373	0.3
267.15927	24.5
268.16345	0.6
273.05377	0.3
276.15897	0.3
288.06296	0.4
289.05026	0.6
290.08069	1.0
291.06473	1.3
306.07547	0.6
308.09113	100.0
309.09412	1.5
309.16867	0.6
313.27371	26.7
314.27658	0.9
341.10101	0.9
350.10211	0.8
386.10226	0.6
395.11362	0.3
416.11264	0.2
434.12393	0.7
452.13300	1.3
470.14474	4.6
505.38910	20.1
506.39630	0.9
523.32764	0.2
523.39850	1.2
547.39978	1.0
598.40991	0.2
601.41125	0.4
631.41626	0.7
632.19147	0.6
634.43085	0.4
683.42535	0.3
748.47278	0.2
755.44995	0.4
812.46997	0.7
830.48315	4.5
974.51935	0.4
992.53662	4.0
993.54144	0.2
1100.20667	0.2
1154.58569	1.9
1184.47412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1178.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06490	0.7
83.04986	1.3
83.06018	3.1
83.08618	3.4
84.04416	7.6
85.01115	1.2
85.02815	1.1
85.06461	0.8
85.10012	0.2
86.00565	3.8
86.05987	0.5
86.99053	2.2
87.02680	1.3
88.02211	2.6
91.03886	0.3
91.05483	10.5
92.05690	0.3
92.07062	0.3
93.07043	15.7
93.07597	0.8
94.02875	0.3
94.06562	2.2
94.07078	0.5
94.07301	0.3
95.04868	2.3
95.08607	10.7
95.09164	0.5
96.04491	1.6
96.08060	0.6
97.01118	7.2
97.02866	1.2
97.06523	2.4
97.10085	1.0
97.58360	0.3
98.00565	0.5
98.05959	0.9
99.02676	1.3
99.05482	1.3
99.08000	0.9
100.02113	1.1
101.04151	0.8
102.05544	2.7
103.05408	0.4
105.04465	0.5
105.07032	6.2
106.06461	0.8
107.04919	0.5
107.06007	0.5
107.08592	9.0
108.04374	0.8
108.05038	0.3
108.08031	0.5
109.02821	0.5
109.06409	0.8
109.10148	4.2
110.05992	0.4
111.02669	9.9
111.08096	1.7
112.02212	1.5
112.03911	0.3
112.07547	0.3
113.00507	0.5
113.02932	0.3
113.04163	0.5
114.03747	2.4
114.05427	0.9
115.02087	0.5
115.05405	0.5
116.01678	14.6
117.07011	3.2
119.08569	3.4
120.08023	0.7
121.06431	0.5
121.10139	5.8
122.05910	0.3
122.10396	0.3
123.02642	1.6
123.07968	0.5
123.11701	1.7
124.02074	0.9
125.04099	1.1
125.07100	0.3
126.03647	0.9
126.05462	0.6
127.02030	0.7
127.03832	0.4
129.06587	5.1
130.05002	4.7
131.08565	5.6
133.06439	0.3
133.10135	5.9
134.05893	1.0
134.09576	0.4
135.02560	0.6
135.07965	0.6
135.11687	3.9
136.03954	2.9
137.04210	4.8
137.09512	0.8
137.13184	0.3
138.03661	0.3
139.05644	0.4
140.06950	0.4
141.03716	0.2
141.04803	1.2
142.03229	8.3
142.04880	0.5
142.06760	0.3
143.02684	1.2
143.08498	0.4
144.01151	6.2
144.04683	0.2
145.06010	1.0
145.10124	1.7
146.02603	0.3
147.02545	0.3
147.11678	2.0
149.04163	1.4
149.09521	0.9
149.13255	7.7
150.05719	0.3
151.05809	1.7
151.11214	1.4
151.12143	0.3
153.06500	1.4
153.09018	0.3
155.08121	0.3
157.10013	1.1
159.11699	5.5
161.04047	0.8
161.13155	0.9
162.02202	14.3
162.05367	0.8
163.14700	0.3
164.06914	0.8
165.07330	0.6
168.06467	0.3
170.02701	4.0
171.07536	0.4
171.11595	0.4
172.04317	0.4
172.05881	0.3
173.13275	2.3
174.12563	0.3
175.05659	0.5
175.10983	0.4
175.14772	0.4
176.06966	0.7
176.14265	0.5
177.03294	0.3
177.12759	4.5
179.04855	12.0
181.06065	2.2
181.10173	0.3
183.08319	0.6
183.11584	0.9
186.02113	0.6
186.07503	0.8
187.03981	0.3
187.05396	3.5
187.14703	0.5
188.03683	0.4
189.03290	1.7
190.15907	0.4
191.08911	1.5
193.06070	1.3
193.12187	0.4
194.15308	1.1
195.12549	0.2
195.13786	2.3
196.05943	0.5
197.13405	0.4
198.14783	0.7
199.05339	0.6
199.07088	0.6
200.03719	0.3
200.14377	0.3
201.12619	0.5
204.08632	0.7
206.15311	1.0
207.12012	2.0
208.06078	1.7
209.09866	1.0
211.11397	0.6
212.16377	1.0
213.14754	0.5
214.01598	0.3
215.04852	4.2
217.10425	2.5
218.04721	0.5
218.15385	1.7
223.11440	0.6
224.14577	0.8
224.16418	1.6
225.12999	1.2
226.12608	2.4
227.04799	0.6
233.03842	0.3
233.05917	4.9
234.13029	0.5
235.09279	0.3
235.11536	4.6
236.16399	0.3
237.04965	0.5
237.13046	0.9
238.07051	1.1
243.04321	0.6
244.13435	0.5
245.05962	2.9
250.12459	0.4
252.14143	12.8
253.12534	3.3
259.20480	0.3
261.22141	1.0
267.15900	0.8
268.19009	0.8
269.17468	5.4
270.15164	8.2
274.09113	0.8
275.17377	0.7
280.13553	0.9
282.15302	0.4
282.20358	0.4
285.22086	0.3
289.04858	2.5
290.15689	0.4
291.06335	0.9
291.14014	0.4
298.14722	1.5
300.16360	0.3
301.12680	0.3
305.08105	0.3
308.09088	8.0
308.16629	0.5
309.09204	0.3
309.15591	0.6
312.12634	0.8
318.15164	1.1
326.17609	2.1
327.17325	2.3
335.25775	10.6
336.16162	0.8
337.27310	0.5
341.09897	0.3
344.18610	1.5
355.16891	2.3
365.15082	0.3
371.16498	0.3
373.17828	1.0
380.20639	0.4
381.18521	0.9
399.19656	1.4
416.85727	0.3
427.18845	0.9
429.20688	2.1
430.18997	0.7
439.19171	0.3
445.20108	0.6
447.21747	1.8
457.19919	0.6
501.22845	1.1
502.22168	1.9
513.22424	0.4
519.23773	0.6
529.38922	4.8
547.40057	0.4
558.24249	0.4
576.25702	1.5
594.26947	0.5
604.40411	5.0
622.41437	3.1
632.39880	0.9
640.42590	0.5
658.42944	0.4
689.42151	2.0
690.40967	0.8
707.42999	52.9
708.42877	2.8
725.44049	20.7
726.44080	1.3
733.44891	0.3
749.44153	0.4
761.44110	1.4
766.45844	0.4
767.44836	0.6
773.44592	1.3
777.42383	0.3
779.45123	9.0
780.44995	0.4
818.46375	1.3
821.44739	0.3
835.44012	0.8
836.47162	7.4
837.46069	1.0
854.48291	100.0
855.48566	6.8
869.48132	1.5
887.49170	2.6
888.49078	0.3
896.49976	1.9
905.49091	0.4
914.47711	0.4
932.49243	2.4
941.50177	1.6
962.50342	0.7
980.51086	0.6
998.52698	2.0
999.53156	0.4
1016.53674	25.5
1017.54315	2.3
1094.53760	0.3
1160.58643	0.4
1178.59009	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	1178.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06500	0.8
83.04879	0.9
83.05997	3.4
83.08511	2.7
84.04401	5.9
85.01017	1.0
85.02789	1.3
85.06437	1.2
86.00550	3.6
86.09576	0.4
86.98952	1.8
87.01431	0.3
87.02583	1.1
87.03059	0.4
88.02115	1.8
89.85545	0.3
91.03896	0.5
91.05370	11.0
93.06937	15.5
93.07584	1.2
94.02796	0.4
94.06457	2.0
95.04855	1.8
95.08495	11.4
96.04382	0.8
97.01007	6.3
97.02888	1.8
97.06416	2.2
97.10102	0.7
98.00538	0.5
98.05993	0.5
98.20789	0.7
99.02592	0.7
99.05474	1.2
99.08000	0.7
100.02131	0.8
101.04141	0.6
102.05425	2.7
103.05424	0.4
104.01540	0.4
105.04468	0.4
105.06914	5.7
106.06463	1.1
107.04868	0.8
107.05949	0.6
107.08598	9.4
108.04397	0.7
108.08030	0.6
109.06426	0.8
109.10036	4.3
109.10838	0.8
111.02673	9.3
111.03336	0.5
111.08091	1.6
111.08642	0.4
112.02060	1.2
112.03865	0.4
113.04156	0.5
114.03757	2.8
114.05459	0.6
115.02047	0.7
115.05515	0.4
116.01685	14.7
116.02447	0.7
117.07017	3.6
118.06435	0.3
119.08588	4.0
121.06429	0.4
121.10146	6.1
123.02530	1.4
123.07972	0.8
123.11589	1.5
124.02110	0.8
125.04092	1.2
125.07003	0.3
126.05438	0.7
127.02017	0.8
127.05708	0.4
128.05154	0.3
129.06584	4.4
130.05011	4.2
131.08582	6.1
132.01021	0.5
133.10132	5.1
134.05917	0.8
135.02550	0.6
135.05432	0.4
135.07970	0.5
135.11679	4.4
136.03949	2.6
136.07474	0.4
137.04219	5.1
137.09529	0.7
140.01497	0.4
141.04704	1.3
141.07005	0.5
142.03239	7.9
142.04893	1.1
143.02621	0.9
144.01137	5.9
145.06071	1.5
145.10098	2.1
147.11690	2.7
148.11034	0.5
149.04199	1.7
149.09515	0.8
149.13264	7.1
151.05804	1.7
151.11150	1.8
153.06548	1.6
155.08359	0.4
157.09998	1.0
159.11713	4.9
161.02570	0.4
161.04050	1.1
161.13242	1.6
162.02216	14.5
163.05652	0.4
163.11046	0.4
163.14700	0.4
164.06970	0.7
167.05040	0.3
168.06413	0.3
168.13814	0.4
170.02731	3.4
171.11601	0.6
172.04189	0.4
173.13219	2.6
175.05704	0.5
175.14648	0.4
176.06998	0.5
176.14288	0.4
177.12756	3.8
179.04857	12.3
181.06076	2.0
181.10271	0.3
183.08282	1.1
183.11661	0.8
186.02158	0.5
186.07521	0.7
187.05357	3.6
187.14746	0.6
188.03589	0.5
189.03175	1.0
189.07155	0.4
190.15819	0.5
191.08772	1.1
192.06526	0.4
193.05962	0.9
194.15242	1.1
195.12102	0.4
195.13806	2.8
196.06010	0.4
197.13454	0.6
198.14755	0.6
199.07005	0.5
201.12589	0.7
204.08557	0.6
206.15303	1.2
207.12051	1.7
208.05933	1.4
209.09833	0.7
211.07082	0.5
211.11473	0.5
212.16425	0.7
213.14777	0.5
214.01649	0.4
215.04874	3.1
217.10480	1.8
218.04820	0.4
218.15273	1.3
223.11485	0.5
224.14464	0.8
224.16350	1.0
225.12996	1.1
226.12613	2.7
227.04773	0.6
233.05939	4.5
234.12897	0.5
235.11507	5.1
237.12955	1.0
238.06960	1.0
243.04271	0.7
245.05914	3.4
252.14159	12.5
253.12430	1.9
259.20383	0.4
261.22064	0.7
269.17490	5.0
270.15198	6.9
274.09497	0.6
275.17392	0.9
280.13611	0.6
286.19980	0.5
289.04904	3.0
291.06400	0.7
298.14630	0.8
308.09094	6.4
308.16699	0.5
309.15881	0.6
312.12424	0.6
318.15057	0.8
326.17697	1.5
327.17056	1.8
335.25803	14.9
336.16403	0.4
336.26334	0.4
344.19168	1.9
355.16812	1.5
373.17877	0.5
381.18289	0.5
399.19247	0.7
411.19092	0.4
412.18137	0.4
427.19220	0.7
429.20517	1.3
430.19086	0.6
447.21637	3.3
457.19974	0.4
497.30994	0.4
501.22476	0.5
502.22147	0.7
519.23560	1.4
529.39056	5.5
530.38470	0.5
551.35486	0.4
576.26733	1.6
594.27057	0.9
604.40460	4.7
605.41205	0.3
622.41119	2.5
632.39764	0.7
689.41522	2.2
690.41022	0.4
707.43030	54.3
708.43079	3.7
725.44067	20.7
726.44446	1.3
733.44189	0.8
761.43933	1.4
767.45258	0.6
773.44061	1.9
779.45050	8.6
780.45673	0.5
817.43494	0.7
818.45160	1.8
835.44720	0.4
836.47205	8.5
837.47253	1.5
854.48315	100.0
855.48627	7.0
869.47583	1.9
887.49622	3.4
896.49536	1.4
897.50867	0.4
932.49335	1.8
941.50470	1.7
962.50208	0.8
980.51373	0.8
998.53229	2.0
1016.53650	26.8
1017.54272	2.2
1109.11560	0.4
1160.56262	0.9
1178.59583	2.9
1179.57764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02382	3.5
53.03709	3.0
53.03947	44.8
55.01873	2.6
55.05499	4.1
58.06594	7.6
58.63962	1.7
59.07378	9.9
70.06577	4.3
72.08154	32.0
77.03931	7.1
81.03407	4.4
87.04493	2.8
91.05491	10.0
94.39395	1.6
94.98448	1.7
95.04981	40.0
98.21538	3.3
105.04512	24.9
118.06551	100.0
118.07302	4.6
118.08648	34.1
118.12283	1.8
119.08604	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02376	4.9
53.03714	2.6
53.03952	47.1
55.05503	6.4
58.06598	18.3
59.07386	14.3
64.47796	2.2
65.42485	2.1
68.14252	2.0
70.06577	4.2
70.60851	5.2
70.61188	2.2
72.08157	47.3
76.93346	2.1
77.03924	8.2
81.03409	3.9
91.05486	8.5
95.04974	36.4
100.07645	2.8
105.04520	21.2
116.05778	2.3
118.06552	100.0
118.07306	4.7
118.08656	60.0
118.12279	4.0
119.08593	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	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03943	0.9
55.05513	4.1
58.06594	1.5
59.07373	1.2
67.63959	0.6
68.66949	0.6
69.72192	2.2
69.72604	1.3
70.06599	1.7
70.70853	0.8
72.08158	21.7
74.78297	0.7
76.93378	5.7
84.08178	0.7
91.05486	27.8
94.94440	1.5
117.05775	2.6
117.95976	0.8
118.06550	100.0
118.08625	6.0
119.06897	1.1
122.84547	0.6
139.41232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.3
69.03445	9.7
71.03030	2.5
71.49939	2.2
77.03706	1.7
77.06850	1.7
78.37266	1.5
78.52987	2.3
79.05473	1.9
80.02966	1.8
82.01460	9.1
82.99837	2.8
83.01496	2.0
88.14603	1.6
91.05492	41.9
93.07068	2.3
93.53506	3.1
100.02476	17.7
101.00887	33.6
101.02583	3.9
103.02467	3.7
107.05279	7.7
108.16345	1.7
109.25958	1.9
112.07594	1.9
116.05795	2.2
118.03543	5.9
119.01931	100.0
119.04900	2.1
119.06079	2.7
119.08577	7.2
121.03469	2.3
129.04016	2.8
137.02957	22.2
137.03917	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.4
57.27805	1.0
65.03928	4.7
65.93959	1.1
68.95266	4.2
69.03418	2.9
69.07076	1.4
71.02988	1.5
71.51060	1.2
73.08492	2.2
74.06092	1.5
82.01449	5.0
82.99844	4.6
89.17842	1.0
91.05487	41.1
93.53505	1.7
100.02483	7.8
101.00886	43.7
101.02570	1.9
102.23702	1.1
104.43958	1.2
111.32054	1.0
114.01125	1.1
118.03560	1.9
119.01929	100.0
119.04951	7.7
119.05780	1.5
120.02003	1.8
137.02957	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03952	0.4
53.61985	0.4
56.05033	1.2
62.99091	0.6
65.03941	11.9
69.16431	4.3
73.08507	0.7
74.06086	1.3
79.05499	1.1
89.21014	0.4
91.05484	100.0
92.05019	0.5
92.05840	0.6
93.07058	0.5
103.05453	1.5
104.06232	0.6
109.06521	0.4
117.07032	2.0
119.04946	42.7
119.05983	1.6
119.08572	9.7
120.08120	2.3
121.04017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.62888	0.4
53.17526	0.4
56.05013	0.4
57.40235	0.4
58.45902	0.4
65.03944	14.2
69.16754	3.2
69.17168	0.9
76.64677	0.4
80.96776	0.4
84.60865	0.4
91.05488	100.0
92.05808	1.1
95.04895	0.4
98.21541	0.7
103.05474	0.7
104.06277	0.6
117.07032	1.1
118.04176	0.5
119.04952	52.3
119.08582	6.8
120.05279	0.5
120.68959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
56.05050	0.6
65.03951	14.2
69.55125	2.4
74.06090	0.7
91.05494	100.0
92.05833	1.2
95.04959	0.6
98.21423	0.6
103.05511	0.5
114.17545	0.4
117.07049	1.2
119.04958	53.5
119.08584	4.5
120.05329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
65.03949	11.9
70.92596	1.5
73.15232	0.6
74.06074	0.9
81.18034	0.6
81.30165	0.6
91.05493	100.0
92.05833	1.2
102.64722	0.6
112.10664	0.6
119.04958	51.9
119.08593	3.3
120.04471	0.6
120.05317	0.6
132.76405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	1.2
53.97822	0.5
54.34645	0.5
56.05036	0.7
65.03946	2.8
71.52502	0.7
74.06070	1.3
79.05491	2.8
88.83310	0.6
91.05485	100.0
92.05819	0.5
93.07058	2.9
95.04966	1.0
102.05559	0.6
103.05476	5.0
104.06248	5.9
108.24068	0.5
108.95002	0.6
109.06536	0.7
115.05450	3.1
117.07024	13.2
117.07854	0.7
119.04977	4.4
119.06075	2.5
119.06848	2.1
119.08585	56.7
120.08069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.76905	0.2
53.03947	1.0
56.05025	0.9
61.84561	0.2
65.03944	2.5
67.05500	0.5
67.67734	0.3
70.92742	0.5
70.93069	0.3
73.08490	0.6
73.24737	0.3
74.06084	0.9
78.04702	0.4
79.05493	6.8
91.05482	100.0
92.05006	0.4
92.05824	0.8
93.07041	3.3
95.04977	1.3
96.04504	0.4
99.45094	0.3
102.04741	0.4
103.05470	6.4
104.05622	0.5
104.06250	6.3
104.52831	0.4
105.04500	0.5
109.06536	0.6
115.05461	3.4
117.07021	24.3
119.05012	2.3
119.06145	3.0
119.08582	71.7
120.08084	0.9
120.08926	0.8
121.06471	0.4
131.06033	0.5
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
53.03949	1.6
54.04286	0.6
56.05049	0.7
59.68792	0.4
65.03953	2.6
65.04235	0.4
67.05509	0.6
68.39667	0.3
69.15337	3.7
71.18690	0.4
73.08492	0.7
74.06087	1.6
78.04726	0.6
79.05495	6.1
91.05487	100.0
92.05834	1.1
93.07056	3.0
95.04980	0.9
96.05296	0.5
98.21525	1.0
103.05472	7.3
104.05628	0.4
104.06264	5.5
105.04542	0.5
105.41806	0.4
109.06525	0.7
115.05473	3.2
116.15616	0.4
117.07024	22.8
119.04984	2.6
119.06065	3.3
119.06863	3.0
119.08585	66.9
120.05630	0.7
120.08112	0.8
131.06091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
56.05028	4.3
56.57226	1.3
57.07078	46.7
65.03938	3.5
70.42067	1.2
71.52364	1.4
73.08486	3.1
74.06078	4.8
79.05483	2.5
83.50578	1.3
91.05489	100.0
93.07027	2.0
95.04980	1.7
102.05571	2.0
103.05468	8.5
104.06248	2.2
115.05452	1.5
115.77731	1.2
117.07009	7.7
119.04964	12.3
119.06176	7.2
119.06889	2.8
119.08579	43.8
120.04453	1.8
120.05636	1.8
120.08102	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04987	0.9
83.06113	0.6
83.08617	3.3
84.04501	7.5
85.02909	1.9
85.04034	1.0
85.06529	0.3
86.00625	0.2
86.99039	1.4
88.02225	0.8
91.03961	0.9
91.05481	8.1
92.01688	0.2
93.07043	7.6
94.06580	0.1
94.07355	0.1
95.01351	0.1
95.04969	5.9
95.08606	6.5
96.04501	0.2
97.01111	0.3
97.02290	0.1
97.02892	2.1
97.06541	0.8
97.10173	0.8
98.00633	0.2
98.06031	0.2
99.02683	0.1
99.05570	0.2
99.08100	0.3
100.02190	0.3
102.05541	0.2
103.05479	0.4
105.04489	0.3
105.07031	5.2
107.04958	1.5
107.07868	0.2
107.08595	4.4
108.04494	0.2
109.02895	0.2
109.06516	0.9
109.10155	3.4
111.04442	0.4
111.08093	1.3
112.02188	0.2
112.03939	0.1
113.03484	0.3
114.03771	0.5
114.05525	0.2
115.05441	0.6
115.89848	0.1
116.01678	10.4
116.06237	0.2
117.07016	1.5
119.04953	0.2
119.08583	4.6
120.08973	0.1
121.06485	0.7
121.10143	4.4
123.04385	0.3
123.08073	0.5
123.11696	1.0
124.02151	0.3
125.06050	0.1
125.09615	0.7
126.03747	0.1
126.05518	0.3
127.03887	0.5
128.06218	0.4
128.07069	0.4
129.07042	2.4
130.05003	6.3
131.04480	0.7
131.08568	3.4
133.06519	0.6
133.10143	2.5
134.05954	0.1
135.08081	0.4
135.11700	2.4
137.05939	0.2
137.09608	0.4
137.13246	0.3
139.03189	0.1
140.01697	0.1
141.04820	0.3
141.06964	0.2
142.03226	5.0
142.06773	0.1
142.07780	0.5
143.02698	0.1
143.08531	0.3
144.01155	6.0
145.04953	0.5
145.06126	0.8
145.10115	1.8
146.02698	0.4
146.08109	0.4
147.04475	0.2
147.08051	0.6
147.11684	2.7
149.03885	0.2
149.09633	1.2
149.13277	1.3
151.07481	0.1
153.06548	0.1
153.09138	0.1
155.08542	0.2
157.10132	2.4
158.02698	0.1
159.08011	0.1
159.11665	1.2
160.00642	0.3
161.13254	1.0
162.02203	21.3
163.02432	0.1
163.06055	0.5
163.11191	0.5
163.14833	0.5
165.11505	0.1
165.12723	0.5
169.06146	0.1
170.02710	2.1
171.11697	0.4
172.06010	0.1
172.91238	0.1
173.09482	0.2
173.13263	1.1
175.11197	2.1
175.14798	0.4
177.03291	2.3
177.12779	0.2
177.16368	0.2
179.04854	34.2
180.05144	0.3
180.06676	0.1
181.06104	0.3
181.10083	0.1
183.11551	0.2
185.03821	0.6
185.13295	0.2
186.02223	0.3
187.05373	1.5
187.14795	0.4
188.03778	0.2
188.05499	0.1
189.03288	0.2
189.11252	0.3
191.10640	0.1
191.14226	0.1
192.06523	0.2
192.13828	0.1
193.12251	5.2
195.13821	0.1
197.13173	0.1
199.05305	0.2
199.07010	0.1
199.14684	0.1
201.16367	0.3
202.19650	0.1
203.04869	0.2
205.06398	0.2
205.12227	0.2
208.06020	0.6
211.13206	0.6
215.04865	1.4
216.03302	0.4
217.12100	0.1
219.17487	0.1
223.13220	0.2
224.10904	0.1
227.04916	0.3
227.12762	0.8
231.04340	0.4
231.13921	0.1
233.05913	10.8
233.15250	0.1
234.06229	0.1
235.13277	0.3
238.07198	0.4
243.04416	0.2
243.21095	1.0
245.05905	2.4
249.14952	0.6
250.12640	0.3
259.13470	0.1
259.20605	0.1
261.22153	3.6
267.15915	17.7
268.16174	0.4
272.07123	0.2
273.05371	0.3
273.14917	0.2
274.09488	0.3
276.15921	0.3
279.23117	0.2
285.16791	0.1
285.22253	0.1
288.06448	0.3
289.04916	0.5
290.08109	0.8
291.06439	1.6
294.16867	0.1
301.14453	0.2
301.25174	0.6
305.07996	0.1
306.07498	0.7
308.09097	100.0
309.09384	1.5
309.16830	0.5
317.24844	0.5
319.15198	0.1
322.16394	0.2
333.24527	0.1
335.25803	13.0
336.26215	0.3
341.10123	0.9
342.98657	0.1
350.10208	0.8
359.25708	0.2
375.18234	0.1
386.10135	0.5
395.11264	0.2
403.24442	0.2
407.24356	0.2
416.11209	0.3
417.26270	0.2
421.25827	0.5
434.12262	0.6
435.27411	0.4
435.32788	0.6
449.28815	0.2
452.13412	1.5
453.33652	1.1
457.29340	0.1
461.28973	0.1
470.14417	4.8
471.34857	0.4
475.30609	0.1
491.35037	0.1
509.36111	0.2
527.37354	9.5
528.37561	0.5
545.38385	10.0
546.38885	0.3
569.38440	0.7
587.39343	0.2
611.39362	0.2
620.39801	0.1
623.39435	0.2
632.19397	0.4
635.39166	0.4
653.40308	0.3
656.41064	0.3
671.41345	0.3
705.41638	0.5
723.42169	0.4
759.42535	0.2
777.43445	0.2
782.44055	0.2
834.45599	1.0
839.11407	0.1
852.30219	0.2
852.46735	4.6
853.46777	0.3
867.46033	0.1
885.47241	0.3
939.47699	0.2
944.52277	0.1
996.50293	0.3
1014.52130	3.0
1015.51160	0.2
1101.54517	0.2
1176.57019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04989	1.1
83.06093	0.6
83.08144	0.2
83.08621	3.3
84.04504	7.9
85.02910	2.3
85.04034	0.9
85.06539	0.3
86.00644	0.2
86.99049	1.2
88.02228	0.8
91.03978	1.0
91.05482	9.4
92.01688	0.3
92.05824	0.2
93.07047	9.2
94.07348	0.2
95.04976	5.7
95.08610	7.8
95.11282	0.1
96.04466	0.2
97.01134	0.3
97.02296	0.1
97.02905	1.9
97.06541	0.8
97.10164	0.9
98.00616	0.2
98.06046	0.2
99.04524	0.1
99.05580	0.2
99.08083	0.3
100.02196	0.3
101.02354	0.1
103.05476	0.3
105.04514	0.5
105.07038	5.9
107.04965	1.1
107.08599	5.1
108.04539	0.1
109.02868	0.3
109.06531	1.1
109.10160	3.5
110.06023	0.1
111.04466	0.4
111.08092	1.5
112.02152	0.1
112.03961	0.2
113.03487	0.2
113.06005	0.1
114.03773	0.8
115.05460	0.7
116.01682	9.8
116.06222	0.2
117.07011	1.9
119.04887	0.2
119.08582	5.2
121.06507	1.0
121.10149	5.0
122.06068	0.2
123.04420	0.4
123.08054	0.5
123.11727	1.1
124.02232	0.3
125.09646	0.5
126.03724	0.1
126.05505	0.2
127.03909	0.7
128.06215	0.4
128.07074	0.4
129.07037	2.5
130.05011	6.0
131.04456	0.6
131.08577	4.5
133.04239	0.1
133.06494	0.7
133.10141	2.8
134.06038	0.2
135.08022	0.4
135.11703	2.4
137.05984	0.2
137.09596	0.4
137.13242	0.3
141.04811	0.5
141.06955	0.2
142.03232	5.1
142.07785	0.5
143.08534	0.4
144.01154	6.4
145.04959	0.4
145.06111	0.7
145.10123	2.1
146.02679	0.4
146.08116	0.5
147.08060	0.7
147.11691	3.1
149.09660	1.2
149.13254	1.7
151.11237	0.2
153.06659	0.2
154.55336	0.1
155.08553	0.2
157.10141	2.2
159.11676	1.6
160.00618	0.3
161.09627	0.1
161.13271	1.1
162.02208	21.5
163.02451	0.2
163.06032	0.6
163.11143	0.6
163.14842	0.9
164.07140	0.2
165.12730	0.4
169.10155	0.3
170.02713	2.4
171.11737	0.3
172.06035	0.2
173.09596	0.2
173.13284	1.3
175.11195	2.0
175.14799	0.4
176.11470	0.1
177.03288	1.9
177.12779	0.3
177.16380	0.3
179.04858	34.6
180.05219	0.3
181.06073	0.2
183.11650	0.2
185.03862	0.4
185.13255	0.3
186.02249	0.2
186.35284	0.1
187.05371	1.8
187.14786	0.8
188.03679	0.2
189.11296	0.3
189.12823	0.2
192.06555	0.2
193.12253	5.5
199.05367	0.3
199.11322	0.1
199.14766	0.2
201.16417	0.3
205.06454	0.2
205.12254	0.3
207.13831	0.1
208.05994	0.6
211.13303	0.5
215.04900	1.5
216.03256	0.4
219.17639	0.2
221.05916	0.1
223.13254	0.1
227.04858	0.4
227.12776	0.8
231.04373	0.3
233.05920	10.5
233.22566	0.2
235.13338	0.2
238.07176	0.3
243.04463	0.3
243.21112	1.3
245.05905	2.1
249.14937	0.6
250.12590	0.3
256.08243	0.1
259.13196	0.1
259.20621	0.3
261.22165	4.6
262.22668	0.2
267.15924	17.9
268.13672	0.2
268.16367	0.3
273.05344	0.3
273.14941	0.2
274.09396	0.4
276.16046	0.3
279.23297	0.3
285.17004	0.2
285.22128	0.3
288.06482	0.3
289.04868	0.5
290.08072	0.9
291.06488	1.6
299.23807	0.2
301.14331	0.3
301.25333	0.7
303.23056	0.1
305.07944	0.1
306.07510	0.2
308.09109	100.0
309.09445	1.9
309.16867	0.4
317.24841	0.6
321.21091	0.1
333.24274	0.2
335.25812	17.5
336.26126	0.6
341.10089	0.7
350.10278	0.6
353.14780	0.2
353.80212	0.1
386.10007	0.4
395.11093	0.2
416.11160	0.3
417.26141	0.2
417.31329	0.2
421.25687	0.4
434.12302	0.6
435.27301	0.5
435.32663	0.5
449.28854	0.2
452.13416	1.5
453.33722	1.2
461.29129	0.1
470.14474	4.7
471.14963	0.2
471.34714	0.6
475.30597	0.2
509.36096	0.2
527.37372	12.6
528.37622	0.5
545.38397	12.2
546.38837	0.6
569.38367	1.1
587.39471	0.4
611.38635	0.2
620.39349	0.2
623.39679	0.2
632.19495	0.5
635.39221	0.5
653.40454	0.3
656.41351	0.5
671.41486	0.4
705.41016	0.3
723.42743	0.3
777.43433	0.2
816.43805	0.2
834.45850	0.9
835.46954	0.1
852.46783	4.3
853.45709	0.4
939.49176	0.3
996.50446	0.3
1014.33405	0.2
1014.52289	3.0
1015.51886	0.3
1101.53149	0.2
1176.56970	1.5
1177.55859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0447
Annotation	Anthranil
Peak:m/z	Relative Intensity
56.05042	3.0
56.05679	0.4
56.16136	0.3
65.03943	28.6
69.47363	1.7
69.47775	0.7
74.06081	5.1
75.64618	0.4
85.19772	0.4
91.05483	0.7
92.05006	100.0
93.05325	0.5
93.07049	0.5
98.21514	0.4
102.05530	0.8
102.11481	0.3
103.05490	2.4
110.06059	2.6
115.92216	0.3
120.04469	83.2
120.08109	4.3
120.08926	0.6
121.04810	0.6
121.06518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0658
Annotation	AMINOHYDROXYBUTYRIC ACID
Peak:m/z	Relative Intensity
53.03967	0.6
56.05040	64.5
57.03439	4.1
57.04060	0.4
58.06601	0.8
60.04537	0.6
71.21385	0.7
72.08156	1.3
73.08445	0.5
74.02429	0.5
74.06084	100.0
75.04501	0.6
77.94793	0.3
82.01437	0.4
84.04515	5.2
87.62808	0.3
91.05482	1.0
91.17916	0.3
93.07039	2.2
94.54831	0.4
95.04969	0.6
97.01431	0.3
100.02482	0.4
102.05550	18.9
102.09198	0.4
103.05479	5.3
103.06161	0.5
120.05744	0.5
120.06616	3.8
120.08115	7.2
120.09064	1.0
120.10217	0.7
121.06512	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34900	1.2
53.00308	1.5
53.03939	3.7
55.01882	2.4
55.05509	1.5
56.14786	1.1
59.31284	1.1
65.03950	74.2
66.04285	3.2
66.90043	1.1
67.01855	2.0
68.99444	1.5
68.99801	20.8
73.40779	1.1
75.06433	1.1
79.05499	8.5
81.07121	1.3
91.05499	14.4
92.05010	2.6
93.03414	17.4
93.05346	11.4
93.07057	19.8
94.06561	1.1
95.04969	2.8
103.05449	8.3
104.05814	1.7
105.04553	1.9
105.07031	13.0
111.04465	2.1
119.08617	1.9
121.02888	100.0
121.03932	4.6
121.04710	10.8
121.06527	18.4
121.08429	2.4
121.10149	15.8
122.03223	1.3
122.06043	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02377	2.1
53.03714	1.5
53.03950	20.1
55.01854	2.1
55.02099	0.8
65.03940	1.9
71.42828	1.4
77.03926	4.0
79.05470	1.4
81.03414	1.7
91.04897	1.5
91.05484	47.6
93.07047	56.0
95.04978	16.7
102.04696	1.4
103.05471	94.5
104.05811	5.0
105.04517	10.0
105.07027	1.9
121.02867	2.3
121.06509	100.0
121.08379	8.8
121.10161	2.1
122.09709	1.0
122.49031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	6.6
55.01869	0.9
55.05496	1.8
56.93562	0.9
65.03938	3.0
67.05492	0.9
68.29544	0.8
72.39242	0.8
73.96298	0.9
77.03893	1.2
79.05497	29.7
81.07048	0.9
81.16013	0.9
82.38435	0.7
86.78397	0.9
91.05484	12.0
93.07049	24.4
95.04970	4.9
98.21523	2.2
103.05464	15.4
105.04517	2.9
105.07032	100.0
106.07847	7.3
119.08584	16.5
120.05719	1.9
121.02862	4.9
121.04002	2.8
121.06555	7.1
121.10147	79.8
122.06059	1.3
123.08081	10.4
126.15169	0.9
133.07619	9.8
138.06784	1.4
139.84918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05778	1.0
53.03952	8.0
55.01873	1.9
55.05502	1.0
57.36872	1.0
65.03955	6.7
71.17210	1.7
74.90314	1.0
79.05499	31.2
81.07063	1.5
91.05491	16.6
93.07048	25.2
95.04987	8.7
103.05481	19.1
105.04530	2.7
105.07040	100.0
105.89703	1.1
106.07844	5.2
107.04967	7.3
111.04438	2.7
119.08591	14.7
120.05788	1.5
121.02881	15.1
121.03997	4.5
121.06516	26.5
121.10152	84.4
122.06032	1.4
122.07291	2.1
122.09688	1.7
122.10490	1.4
123.08070	10.1
130.99184	1.0
133.07619	11.7
134.76369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91222	1.0
70.92696	2.9
82.01452	54.4
82.99825	1.3
100.02493	100.0
101.00885	9.2
101.02584	1.6
113.48631	1.0
118.03537	21.6
119.01938	19.8
123.04086	1.1
137.02893	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01598	0.5
51.02385	2.8
53.03946	4.6
54.47544	0.5
55.01880	0.7
55.48633	0.4
65.03941	1.1
67.05506	6.4
71.15567	1.1
73.83390	0.5
73.87900	0.4
74.73930	0.4
77.03937	6.8
78.03471	0.6
79.05489	1.2
80.05021	6.2
81.07055	3.2
82.01452	0.5
82.62221	0.4
84.94427	0.5
95.04379	0.7
95.04974	12.2
95.08594	1.2
96.04485	2.1
97.32710	0.4
100.02468	1.8
105.03403	8.7
105.04513	1.9
106.02928	0.7
118.03476	0.5
122.30633	0.5
123.04424	100.0
123.05525	23.2
123.08016	2.6
123.11709	0.8
124.03934	2.9
124.04742	0.9
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
53.03954	4.2
55.01882	2.9
55.05516	5.3
55.78569	0.5
57.03438	0.9
57.07072	0.9
65.03936	1.9
67.05512	28.0
69.07066	0.7
69.93757	2.6
74.11931	0.6
78.03460	1.8
79.01913	0.7
79.05502	18.2
79.05966	0.9
80.05025	26.0
81.03425	3.2
81.07065	50.1
82.01444	2.3
82.04195	0.6
88.15092	0.5
91.05490	1.8
93.07062	7.4
95.04982	23.2
95.08617	28.2
95.89006	0.5
96.04507	9.6
100.02499	5.0
103.05518	0.9
105.04510	1.3
105.07039	6.4
106.02921	1.5
107.04974	0.7
108.05736	2.1
112.03979	1.0
118.03519	2.5
120.30482	0.5
123.04521	5.0
123.05566	100.0
123.08075	55.3
123.09119	2.3
123.09963	1.0
123.11707	5.7
124.03965	13.9
124.05892	1.0
124.08434	0.7
140.03484	0.9
141.05042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.62111	0.6
53.03717	0.6
53.03944	7.0
53.49712	0.5
55.01875	0.9
55.05515	6.1
57.07060	0.8
58.36911	0.6
59.86915	0.5
65.03935	1.5
67.05508	29.2
69.07071	0.9
69.86502	3.1
77.03889	1.3
78.03457	1.8
79.05490	8.4
80.05018	27.0
81.03416	1.7
81.06596	1.1
81.07053	22.2
82.01447	3.8
86.27097	0.6
91.05463	1.2
93.07050	5.2
95.04969	38.1
95.08609	32.0
96.03923	0.7
96.04503	9.9
96.08135	1.4
100.02481	13.1
100.61697	0.7
104.01494	0.6
105.03365	1.5
105.04498	1.9
105.07034	1.9
106.02901	1.3
107.04970	0.9
108.05733	4.2
112.03979	2.1
118.03527	7.3
119.01897	1.0
121.06477	0.8
123.04441	17.4
123.05541	100.0
123.08058	30.1
123.09097	1.5
123.11682	7.1
124.03959	16.0
124.07591	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02366	0.4
53.03940	2.5
55.01858	0.5
55.05512	3.0
57.07076	0.5
57.42266	0.3
65.03933	0.7
65.62287	0.3
67.05507	16.7
69.03430	1.2
69.07060	0.6
70.06625	0.4
71.52328	0.6
77.52334	0.3
78.03458	0.7
79.05491	3.9
80.05021	13.0
81.03418	0.6
81.07061	14.6
82.01453	1.2
91.05495	1.0
93.07052	3.1
95.04973	21.2
95.08608	11.2
96.04498	5.3
100.02489	2.8
103.05494	0.7
105.03378	0.5
105.04517	0.8
105.07030	3.5
106.02913	0.8
108.05750	2.9
112.03970	1.1
118.03540	1.5
121.06539	0.5
121.10096	0.3
123.04478	6.2
123.05560	52.0
123.08066	100.0
123.11694	4.0
124.03965	6.7
124.05922	0.6
124.07578	0.5
124.08395	1.0
140.03410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01856	1.2
55.05502	3.6
57.06824	0.7
57.07074	4.2
65.03930	1.3
67.05505	21.4
69.07059	2.4
71.52129	1.2
77.03909	2.4
78.03448	2.2
78.06316	1.1
78.91019	0.7
79.05498	15.1
80.05019	26.9
81.07058	85.3
82.01446	5.8
91.05457	0.7
93.07036	3.5
95.04971	58.7
95.08610	22.7
96.04501	9.5
96.78471	0.8
100.02490	16.7
105.03396	1.4
105.04515	3.7
105.07026	1.7
106.02911	2.5
108.09366	1.0
109.66098	0.9
112.03981	1.5
118.03513	5.5
121.10153	1.5
123.04441	30.1
123.05550	100.0
123.08054	20.8
123.11706	33.2
123.12598	1.7
124.03954	16.9
124.07625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99863	0.3
70.41883	0.7
70.42274	0.5
70.99843	0.4
73.59810	0.3
80.05019	1.0
81.04539	0.3
81.12029	0.2
82.01462	1.1
82.99851	5.9
83.01498	2.1
92.31097	0.2
96.04505	0.4
96.05304	0.3
97.92698	0.2
100.02477	1.3
101.00885	51.8
101.02543	4.2
102.00980	0.5
102.02221	0.4
106.06561	0.4
111.00374	0.4
116.38663	0.2
117.10285	0.2
118.03553	0.4
119.01924	100.0
120.01985	1.1
121.02338	0.3
124.02573	1.2
124.03954	7.8
124.04841	0.5
124.05867	0.5
124.07590	2.3
124.08712	1.0
125.07114	0.3
133.03426	0.2
137.02960	19.2
139.03412	0.3
142.03503	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33849	0.2
58.06607	0.3
58.99866	0.3
59.52195	0.3
62.02455	0.3
63.14561	0.3
70.99857	0.9
71.02639	0.5
71.02998	1.1
74.26798	0.2
76.02750	0.3
78.03460	0.8
78.06339	1.1
79.05531	0.3
80.03539	0.4
80.05038	2.0
81.03401	0.4
81.04559	0.4
81.05362	1.7
82.01450	0.9
82.99853	4.7
83.01524	2.9
84.08118	0.5
89.00875	0.4
92.07878	0.3
95.30067	0.3
96.04495	2.5
96.05276	0.5
97.02901	0.4
97.04812	0.5
100.02486	2.2
101.00891	41.6
101.02568	6.1
102.00954	0.7
102.02248	0.9
111.00412	0.3
112.03957	1.1
117.10262	0.8
118.03533	0.5
119.01931	100.0
119.03633	2.7
120.02039	1.1
120.03262	0.5
121.02366	0.5
124.02589	1.2
124.03964	11.0
124.05017	0.5
124.05916	7.8
124.07590	3.3
124.08723	1.3
137.02971	21.6
138.02995	0.2
140.03496	0.7
142.03513	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	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.02386	0.5
53.03949	2.2
54.03481	0.7
55.05510	1.7
56.05034	0.8
65.03946	6.0
67.04259	1.2
67.05499	1.3
68.05022	2.9
68.05830	0.8
69.03426	1.0
69.07071	0.8
70.02959	0.5
70.59409	1.0
70.59747	0.8
75.20645	0.4
77.03923	0.6
78.03467	1.8
79.01936	0.5
79.05497	32.5
80.05018	9.8
80.05794	0.7
81.03419	2.6
81.05347	1.2
81.05801	10.4
81.07059	33.4
82.02944	0.7
82.06583	63.0
83.04965	0.7
83.06911	0.5
94.02955	0.9
94.06572	2.9
95.04989	2.8
96.04500	16.5
96.05279	1.7
96.08134	28.1
97.02904	2.4
97.04852	0.7
97.06535	1.1
101.00884	0.9
101.02587	0.8
105.04507	0.8
106.06565	10.6
107.04960	5.0
109.05273	4.9
112.03970	9.3
119.01935	3.4
119.03658	0.6
122.02410	0.6
124.03967	68.2
124.05923	4.4
124.07594	100.0
125.02354	1.0
125.06024	0.7
125.07950	0.8
137.02957	1.2
137.55170	0.5
140.03455	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	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05516	18.4
56.55027	0.4
57.07079	5.8
57.82341	0.4
67.05504	1.6
67.96486	0.4
69.07073	100.0
69.17933	2.1
69.18364	1.6
70.07428	0.9
75.89715	0.4
81.90139	0.4
83.06110	1.5
83.08625	19.9
84.04483	0.5
84.08154	0.5
97.07661	0.6
108.04483	1.5
125.04319	0.9
125.06139	0.5
125.07141	2.1
125.08254	1.0
125.09108	1.3
125.10754	2.6
126.05523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
53.80157	0.3
56.05044	5.7
57.03424	0.4
57.07080	1.2
57.35778	0.4
60.48800	0.3
66.24583	0.3
67.05511	1.3
69.03439	5.9
69.07073	1.0
69.99665	1.0
70.00083	0.6
70.06590	1.0
71.04993	0.4
74.02448	1.4
82.06596	0.4
84.04512	100.0
84.08149	51.9
85.02918	3.0
85.04826	0.4
86.09727	0.8
94.06553	0.4
95.04987	0.9
100.45711	0.3
102.05539	1.5
112.03970	0.5
112.07613	20.3
113.06024	0.4
130.05019	13.8
130.08649	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	130.0502
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05039	4.7
57.07064	0.3
60.49836	0.4
63.59824	0.3
67.05499	0.7
69.03435	15.1
69.07073	2.1
70.06605	2.6
70.96777	0.5
70.97109	0.4
71.05021	0.8
72.08143	0.3
74.02449	2.0
77.79401	0.3
82.06585	0.7
84.04512	100.0
84.08150	22.7
84.08533	0.4
85.02916	2.4
85.04836	0.7
86.09708	1.2
94.06543	0.3
95.01334	0.5
102.05540	1.5
102.09197	0.4
112.07616	52.8
113.07978	0.6
130.02208	0.4
130.05017	12.1
130.06583	0.7
130.08649	19.3
130.12283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03942	0.5
56.05035	3.6
57.07077	1.1
57.76295	0.3
61.09046	0.3
67.05508	0.8
69.03432	20.5
69.07079	2.6
70.06596	0.7
71.04993	0.9
71.52440	0.3
74.02451	1.0
74.09721	1.1
82.06590	1.4
84.04509	53.9
84.08147	32.3
85.02915	0.4
85.04830	0.4
85.08524	0.3
91.05500	0.5
94.06540	0.4
95.04970	0.8
102.05542	0.4
103.05476	8.2
112.07611	65.9
113.07986	0.5
128.04961	1.4
130.05132	7.2
130.06534	100.0
130.08623	24.6
130.15930	2.3
131.06859	1.2
131.08566	0.6
146.06003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.90866	0.3
57.05812	0.3
58.02079	0.3
58.06598	0.7
59.20162	0.2
61.01141	0.3
65.55785	0.2
69.07069	18.1
69.94500	1.1
70.83072	0.2
82.79747	0.3
85.29694	0.2
86.09707	100.0
87.10040	1.0
98.20854	0.5
107.49609	0.3
132.10175	1.2
132.13829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03952	2.5
55.01873	3.2
55.05518	0.4
68.64091	0.3
69.03433	1.1
70.06585	1.5
70.25205	1.1
74.02444	1.1
76.25211	0.3
77.03931	0.4
79.05500	11.2
80.74623	0.3
81.03403	0.3
82.81539	0.3
87.10050	0.5
88.02227	1.0
88.04008	0.5
91.05490	3.2
95.04960	1.3
96.40681	0.3
97.02871	0.5
103.05476	8.1
105.07037	85.5
106.06600	0.4
106.07348	0.5
107.04959	0.8
112.02188	0.9
115.05470	4.3
116.07127	0.3
123.07950	1.0
131.04924	1.7
131.08577	0.7
133.06502	100.0
133.10126	4.3
134.05980	0.5
134.06888	1.2
143.06084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.9
54.05193	0.5
54.23574	0.6
55.05504	0.9
58.37589	0.6
62.33277	0.6
63.83984	0.5
76.77681	0.5
79.05490	2.1
88.02231	1.2
91.05482	8.9
93.07050	4.8
95.04987	0.8
98.21463	1.3
100.19316	0.6
103.05469	1.4
105.06309	1.2
105.07037	25.1
115.05489	2.7
117.07049	3.1
118.07829	3.7
131.08618	3.2
133.07603	3.0
133.10138	100.0
134.10493	1.2
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	2.0
54.09761	0.5
55.01875	1.1
55.05518	3.3
56.96571	0.7
60.79656	0.5
65.03936	0.7
67.05477	0.8
69.03433	0.7
69.16518	0.6
70.06570	1.0
71.52337	0.9
74.02454	11.9
79.05499	6.9
86.75161	0.5
87.05585	0.9
88.02233	0.6
88.03991	4.6
91.05486	21.7
93.07040	3.8
95.04942	1.2
102.61692	0.7
103.05477	3.4
105.03445	1.1
105.07037	64.1
106.07333	0.8
107.08610	0.8
112.02242	1.1
115.05447	5.2
116.03475	0.7
116.07050	0.7
117.07011	5.5
118.06561	2.8
118.07806	5.3
119.07334	2.1
123.07960	1.9
129.06999	0.8
131.08565	5.6
133.02878	0.7
133.06525	15.7
133.07564	1.7
133.10139	100.0
134.06029	3.0
134.09654	8.5
134.10513	0.9
142.96822	0.6
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05521	1.0
59.55577	0.2
65.86605	0.2
67.05521	0.3
70.06590	0.2
70.65232	0.5
77.03927	0.4
79.05494	2.6
91.05484	8.9
93.07043	4.0
95.04960	0.6
103.05476	0.9
105.07034	28.3
106.07360	0.3
107.08607	0.6
115.05473	2.4
116.06215	0.6
117.07025	3.3
118.07805	3.8
131.08580	3.2
133.10135	100.0
134.10464	1.7
143.06966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03961	0.3
55.05511	0.5
62.73114	0.4
67.63023	0.4
69.40247	2.6
70.06606	0.7
79.05502	3.0
88.02234	0.7
91.05488	17.1
95.04971	0.6
103.05491	2.2
105.07038	100.0
106.07352	1.3
115.05454	0.7
117.07008	0.6
117.87573	0.3
118.07849	0.4
118.18581	0.3
123.08001	0.4
131.08582	3.5
133.06503	2.6
133.07626	1.6
133.10141	28.3
134.10474	0.5
146.00607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05503	1.9
65.86640	0.4
66.92353	0.4
76.48544	0.5
79.05491	4.5
88.03939	0.4
91.05486	14.6
93.07046	4.0
103.05475	1.7
105.07034	42.2
107.08604	0.9
115.05460	4.7
116.06234	0.9
117.07037	4.9
118.07806	6.1
131.08580	5.5
133.10135	100.0
134.10472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	1.1
55.05513	1.3
57.24405	0.4
59.64220	0.4
62.08656	0.5
69.03421	0.5
70.06597	2.2
71.41084	0.6
74.02458	1.1
74.73372	0.4
79.05497	5.8
88.02241	0.5
88.04016	0.4
91.05490	15.3
93.07059	7.1
95.04993	0.9
97.02910	0.7
103.05463	3.2
105.07039	100.0
106.07371	1.2
107.08629	0.8
112.02218	0.6
113.10307	0.5
115.05444	2.8
117.07034	2.9
118.06533	1.1
118.07809	3.3
119.07381	0.5
123.07975	1.4
129.06917	0.6
131.08560	5.1
133.02870	1.1
133.06496	6.8
133.07600	1.4
133.10139	63.7
134.09657	3.5
134.10469	0.8
144.04819	0.6
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.2
53.03956	0.6
55.05512	1.4
67.05487	0.4
70.93064	0.6
77.03930	0.3
79.05494	3.5
91.05483	11.8
93.07048	3.1
95.04964	0.9
95.72010	0.2
103.05472	1.9
105.07031	34.4
106.07372	0.3
107.08600	0.7
115.05453	4.2
116.06255	0.8
117.07027	4.3
118.07803	5.8
129.07010	0.4
131.08577	5.3
133.10130	100.0
134.10468	1.5
138.41240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.60098	0.4
53.03944	1.1
55.05512	2.2
69.73525	1.3
69.73935	1.3
70.06593	1.2
79.05502	4.6
91.05493	17.5
92.37855	0.6
93.07036	3.7
95.04959	0.8
103.05483	2.6
105.07044	56.7
106.07365	0.9
107.08584	1.5
115.05476	4.0
116.06245	0.6
117.07018	4.4
118.07829	5.9
131.08577	8.0
133.06503	3.4
133.10147	100.0
134.10498	1.2
145.44583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03938	1.8
55.00330	0.7
55.01866	0.9
55.05509	4.2
65.03946	0.7
67.05498	0.7
69.03435	1.3
69.35230	5.0
70.06607	4.1
74.02448	1.5
77.94144	0.6
79.05499	10.4
81.04584	0.8
88.02228	2.0
88.04037	0.8
91.05489	32.7
92.05839	0.8
93.07053	3.5
95.04959	1.1
97.02892	1.1
103.05490	5.7
105.07041	100.0
106.07375	1.5
112.02171	1.0
113.03009	0.7
115.05478	3.1
116.07053	1.1
117.07021	2.2
118.07824	2.9
123.08004	3.1
131.08572	8.6
133.02847	1.2
133.06502	14.0
133.07614	6.8
133.10144	55.0
134.10503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
55.05511	1.7
56.05046	5.7
56.20126	0.7
57.03424	0.5
58.06604	1.7
70.02965	5.5
70.06602	11.9
70.13313	1.2
70.13709	1.2
71.05005	7.2
72.08167	9.7
74.02451	100.0
74.06087	3.7
75.02803	0.6
79.05495	0.6
88.04003	54.9
88.07640	5.2
90.09201	3.9
94.00455	0.5
98.06073	16.1
98.10669	0.5
98.21405	0.8
99.04454	1.0
102.09200	2.6
112.09381	0.6
116.03479	5.7
116.07107	3.3
127.76202	0.6
129.12935	0.5
134.04503	4.0
134.06067	1.6
134.08171	2.2
134.11787	14.5
142.03548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
50.56293	0.7
55.01863	1.0
56.05036	1.1
57.03444	1.6
67.24046	0.8
70.02966	7.3
70.06603	3.5
70.97155	1.8
71.04999	2.2
72.08166	72.2
73.02926	2.3
74.02451	100.0
74.06091	1.2
81.34611	0.9
82.01466	1.1
82.35361	0.7
86.09722	1.2
87.45177	0.7
88.02718	1.5
88.04002	56.6
88.07653	1.2
98.06074	3.4
98.21465	0.8
100.02502	0.8
101.00903	2.1
102.02422	1.1
107.04953	1.1
110.68830	0.7
111.02940	0.9
116.03450	5.2
116.10754	2.1
119.01987	3.0
123.07993	1.1
124.02492	1.4
134.04512	3.3
134.06033	2.5
134.07094	0.8
134.11760	4.3
142.03517	5.5
147.05067	0.7
151.24374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
53.03954	5.6
55.01867	6.6
55.05521	2.9
56.25965	3.0
57.01722	3.2
57.03199	4.5
57.03445	60.3
58.76716	2.9
61.02917	8.4
61.17210	2.8
64.72775	2.9
65.52193	3.8
65.55082	2.6
66.94970	2.7
69.03415	11.2
69.84917	10.8
69.85330	4.3
70.99850	5.9
71.01350	2.8
72.52963	3.7
73.02930	23.1
77.00909	3.3
77.52184	7.3
78.52956	8.3
79.02149	7.9
79.05453	4.4
80.52704	3.8
81.03419	8.2
81.88438	2.8
81.97170	2.8
82.01440	24.8
82.99837	5.8
84.52954	8.6
85.02908	13.5
85.53723	6.0
86.52698	32.8
87.02727	4.7
88.02700	24.1
88.52731	3.2
88.81689	2.9
88.91070	2.7
90.02439	3.0
92.52692	4.3
93.01916	14.2
93.06998	2.8
93.53487	8.3
95.53231	14.2
96.03269	3.2
97.03129	2.7
98.20877	3.9
99.02741	4.4
99.04473	3.4
99.53482	6.5
100.02492	46.9
101.00897	47.8
101.02531	4.8
101.53249	3.2
102.00994	3.7
102.02419	17.0
103.02447	3.7
103.67033	3.6
104.52686	3.2
106.06544	4.3
107.04964	4.8
108.53998	3.4
109.02856	3.1
110.54504	4.0
111.02946	17.8
113.00854	14.5
113.53197	7.9
114.01012	3.3
115.02418	12.7
118.03532	15.8
119.01934	70.2
119.54913	3.1
120.02015	4.7
120.03401	3.0
121.01600	3.0
122.52818	3.0
122.53734	9.5
122.73174	2.9
124.02465	27.1
125.02487	3.1
125.71631	3.2
127.02413	4.9
129.03952	3.2
131.01910	40.7
131.54198	4.3
133.03435	8.3
134.03517	3.2
134.06012	18.3
134.06984	5.8
134.08046	3.4
134.10507	3.8
137.03015	5.8
141.02750	2.8
142.03517	100.0
143.01912	20.5
143.03644	9.2
144.03287	3.7
145.03456	8.3
147.01398	5.6
147.05031	5.1
147.89507	2.9
154.03476	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	134.0965
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
51.62003	0.2
51.68416	0.3
52.07601	0.2
54.00344	0.3
55.05511	0.4
65.03920	0.3
67.05491	0.5
68.93226	0.2
69.62213	1.1
69.62623	0.6
74.02453	1.6
79.04202	0.3
79.05508	1.3
80.05013	0.7
88.03995	1.2
91.05493	1.6
92.05017	0.7
93.05801	1.0
93.07052	2.8
94.06552	0.3
105.07028	1.5
106.06554	1.2
106.07339	0.6
107.08606	4.6
112.93780	0.3
115.05457	1.1
117.05737	0.3
117.07041	2.7
118.06551	32.3
119.07336	22.8
122.70379	0.3
132.08102	1.6
134.06050	1.0
134.09659	100.0
135.09975	1.8
135.11694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.15326	0.9
53.03950	5.5
53.35977	1.1
55.01874	1.2
61.12517	0.8
63.02371	3.1
69.44792	7.7
75.23750	0.8
77.03929	1.6
79.05010	1.2
79.05495	27.4
89.03918	85.1
90.17781	0.9
91.05495	6.1
93.07051	3.9
95.04999	5.1
103.05477	4.1
105.04498	1.7
105.07029	12.0
107.04960	31.2
107.08620	6.2
117.03384	38.1
117.07070	1.2
120.05766	1.1
135.04420	100.0
135.08072	11.9
136.02150	8.4
136.06200	7.1
136.07478	1.2
137.74963	0.9
145.03951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.03752	1.5
50.62053	1.6
53.03929	4.1
55.01875	16.9
56.86311	1.7
65.03938	8.1
67.05502	8.9
69.03429	18.5
69.68286	8.9
78.28472	2.0
79.05494	57.4
89.03903	2.8
91.05485	100.0
92.06298	3.1
93.07052	13.8
95.04972	7.2
96.86156	1.6
105.04502	2.5
105.06388	3.5
105.07034	37.4
107.04980	9.7
107.08593	78.7
108.08887	2.0
109.06522	11.1
115.05462	28.9
117.07023	28.6
119.06060	10.8
135.04424	9.4
135.05424	3.0
135.08064	71.5
135.11703	6.4
136.02148	9.4
136.06206	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	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03946	6.5
55.01883	13.3
55.05522	1.6
59.35327	1.5
65.03949	9.7
67.05515	7.9
69.03438	12.2
69.16586	1.4
71.52528	2.2
73.54986	1.4
76.29819	1.6
77.03957	2.2
77.21382	1.5
79.05505	71.7
80.05814	2.0
81.07069	2.1
89.03923	6.8
91.05497	100.0
92.05782	2.1
93.07057	37.6
95.04996	9.7
105.04556	3.8
105.07044	35.7
107.04982	13.3
107.08611	79.1
109.01168	2.1
109.06525	13.3
115.05470	27.8
117.07030	29.7
119.06076	9.9
119.08586	3.2
135.04439	18.8
135.05478	3.3
135.08080	86.7
135.11710	14.3
136.02184	27.8
136.05267	2.2
136.06207	15.5
136.07558	4.6
136.08469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03935	5.7
55.01880	19.4
65.03929	7.4
67.05512	7.8
69.03426	15.5
69.95149	1.7
69.95440	6.8
79.05499	65.9
86.69112	1.4
88.48378	1.3
91.05486	100.0
93.07041	18.6
95.04979	7.8
98.20831	1.7
105.04546	1.5
105.07037	38.4
106.04192	2.2
107.04971	8.6
107.08598	85.6
109.06532	15.6
113.38908	1.5
115.05460	32.7
117.07034	32.5
119.06071	10.6
119.08582	2.7
120.05730	1.7
135.04419	8.9
135.05435	2.5
135.08063	78.8
135.11676	7.7
136.02171	18.7
136.03900	2.0
136.06174	17.7
136.07147	1.6
136.07637	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	3.9
55.05515	8.2
57.07054	0.9
65.03943	1.7
67.05493	3.3
67.61648	0.8
69.07062	3.2
70.49498	2.3
77.03905	1.2
79.05072	1.4
79.05500	17.8
81.06592	0.7
81.07058	3.7
86.81403	0.7
91.05485	27.7
93.07048	59.3
94.07822	1.5
95.04961	3.4
105.04499	1.3
105.07034	13.4
107.04935	1.2
107.08598	100.0
108.08926	1.5
109.06523	3.6
116.04316	0.8
119.06069	3.2
119.06821	0.9
119.08565	5.1
120.09367	1.1
125.99673	0.9
135.04443	2.4
135.08121	1.7
135.09984	3.1
135.11693	28.2
135.12726	1.4
136.02168	2.1
136.06148	1.3
138.82111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01871	1.2
55.05521	5.1
56.96566	1.4
65.03942	1.9
67.05508	3.0
69.07082	3.2
71.31915	0.6
71.52777	0.8
77.03975	0.7
79.05499	21.0
81.07075	2.3
81.81582	0.6
82.08956	0.7
87.04343	0.7
89.03922	1.3
91.04630	0.8
91.05489	31.3
93.07050	50.5
94.07871	1.2
95.04965	3.0
99.64033	0.6
105.04549	1.9
105.07040	14.4
106.04185	0.7
107.04964	5.0
107.08604	100.0
108.08969	1.5
109.06531	3.2
115.05459	1.5
117.07038	2.4
119.06092	2.5
119.06882	1.1
119.08593	6.9
120.09393	2.3
124.69681	0.6
133.10153	1.3
134.98967	0.6
135.04430	7.3
135.05553	1.4
135.08073	9.7
135.09048	1.3
135.10168	3.6
135.11703	26.5
136.02170	6.5
136.06192	4.0
136.07607	0.9
137.09674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.80242	1.0
53.03948	8.1
55.01876	2.1
55.05513	7.2
60.47498	1.0
65.03939	2.6
67.05507	3.0
69.07063	2.8
70.63757	1.3
70.64108	2.5
77.03946	1.2
79.05497	38.7
81.07069	2.1
89.03924	1.8
91.05485	47.1
92.06292	1.2
93.07050	48.6
95.04955	6.2
95.08613	1.4
103.05465	1.3
105.04519	2.3
105.07034	21.6
106.04192	1.1
107.04964	17.3
107.08600	100.0
109.06540	6.9
115.05462	3.1
117.03381	1.4
117.07011	5.0
119.06084	5.5
119.08584	18.0
120.09408	5.5
133.10124	1.9
135.04436	18.1
135.05446	1.9
135.06459	1.5
135.08080	16.1
135.10696	2.4
135.11696	45.8
136.02170	9.6
136.06189	6.6
136.07561	1.5
147.09222	1.9
147.91307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71308	0.5
53.03951	6.2
55.01870	5.6
55.05498	0.7
57.07073	0.7
67.05501	4.5
68.99784	1.4
71.01366	4.0
71.52579	0.5
71.53022	0.6
79.05486	2.4
81.03419	35.4
81.07062	8.9
91.05483	3.2
93.07054	2.4
94.04183	3.9
95.01308	0.6
95.04974	1.2
95.08612	12.2
107.00743	0.5
107.01331	5.5
107.04976	0.6
108.90367	0.5
109.02877	5.3
109.06516	1.1
109.10154	3.0
110.06033	0.7
119.08567	1.0
122.03656	4.4
122.07314	4.1
127.03921	9.7
137.02333	100.0
137.03448	53.3
137.05928	14.2
137.09618	7.9
137.10657	0.7
137.13225	1.7
138.02675	0.8
138.03841	0.5
138.05536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	18.6
55.05508	12.8
55.93514	6.0
65.10597	6.2
65.43770	5.9
67.05508	42.9
69.03428	11.5
69.07088	9.4
71.51006	5.7
78.52966	9.5
79.05505	37.0
81.03410	19.2
81.07067	80.8
82.01439	16.3
85.53751	7.0
91.05482	77.2
91.53703	6.5
93.07054	91.1
94.04161	16.4
95.04961	25.2
95.08614	57.3
96.50597	9.2
97.00130	9.0
98.83696	5.8
100.02495	62.7
102.02230	8.9
103.02399	5.8
104.54485	7.8
105.07027	7.8
105.53494	7.2
107.04906	7.4
109.02865	16.5
109.06506	41.7
109.10171	17.7
110.06052	6.2
111.02833	17.2
113.00851	6.7
114.00902	9.1
114.06010	14.1
115.01154	43.6
115.02452	11.1
118.03521	24.6
119.01934	13.2
119.04938	24.9
120.03170	7.5
120.04514	8.0
122.03642	14.8
123.04370	5.2
131.01907	20.8
132.01968	52.7
133.02267	11.6
133.03448	29.6
134.03027	7.9
137.02458	47.3
137.03383	9.5
137.05974	100.0
137.06987	7.3
137.07999	10.4
137.09645	32.5
137.13205	10.6
138.01805	9.4
138.05498	24.1
147.05084	7.3
150.03098	14.8
150.04256	6.2
155.01855	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.4
53.03931	0.6
55.01874	0.4
63.98423	0.2
65.03933	0.8
66.04727	2.9
67.05502	0.6
69.03427	0.3
70.10519	0.4
76.23364	0.1
77.03927	0.7
79.05496	3.3
81.03410	0.2
81.07068	1.6
85.27831	0.1
91.05492	2.6
93.03407	0.2
94.04192	25.4
95.04455	0.2
95.04974	0.6
95.08630	0.4
105.03395	0.7
105.04559	0.1
107.04964	1.2
109.06490	0.8
119.04939	0.2
122.03653	45.3
123.03982	0.5
135.04416	0.5
137.05983	100.0
138.06355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.3
53.03948	0.8
55.01867	0.5
65.03934	0.7
66.04723	3.2
69.16756	3.0
77.03913	0.7
79.05497	3.2
81.07053	1.8
85.23792	0.3
86.02239	0.3
86.27096	0.3
91.05487	2.5
94.04186	26.2
105.03439	0.4
107.04945	1.4
109.06535	0.8
120.92773	0.3
121.63757	0.3
122.03651	44.5
123.03951	0.4
129.10161	0.3
135.04404	0.7
137.05978	100.0
138.06311	1.4
154.21140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03942	1.1
53.57586	0.4
56.75390	0.4
65.03953	2.3
67.05516	3.4
68.32798	0.4
71.00648	0.9
71.00978	0.5
71.07960	0.4
79.05496	6.3
81.03405	0.7
81.07065	14.3
91.05484	13.5
92.05818	0.4
93.07060	2.7
94.04194	9.3
95.04986	1.3
95.08618	3.6
107.04298	0.8
107.04968	9.2
109.06534	9.5
109.10152	1.5
119.04935	1.0
119.06091	1.1
119.08619	0.8
121.02880	25.8
122.03673	13.8
122.07292	1.6
137.02568	2.1
137.05988	100.0
137.09587	4.4
137.13200	0.6
138.05495	5.4
138.06409	0.7
138.09106	0.6
144.97928	0.4
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
51.02386	0.3
52.82733	0.3
53.03934	1.3
55.01843	0.3
55.05504	0.9
56.49124	0.3
63.57240	0.3
65.03933	0.4
67.05508	16.4
69.03423	1.1
69.07058	1.1
77.03928	0.6
79.05508	2.0
79.05905	0.3
81.07064	5.6
91.05478	7.1
93.07050	2.7
94.07823	0.9
95.04958	1.3
95.08614	3.6
96.21212	0.3
103.05450	1.2
104.06254	0.6
105.04505	0.8
107.04955	11.0
107.08582	1.4
109.06510	0.8
109.10159	27.1
110.10423	0.3
117.07016	1.4
119.08581	12.9
121.06506	5.6
122.07287	64.5
123.07629	0.6
123.13869	0.3
132.72073	0.4
135.08069	3.0
137.02425	0.7
137.06096	1.4
137.09619	100.0
138.05466	0.4
138.09953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03940	4.0
53.63382	0.8
55.01862	3.3
55.05518	4.9
57.03438	1.3
57.07071	1.8
57.80812	0.8
65.03937	3.1
67.05510	46.3
68.76132	0.8
69.03430	2.7
69.07055	2.5
71.52254	1.2
71.52680	1.1
72.06766	0.8
79.05494	8.8
81.03413	3.6
81.07063	27.4
83.04979	2.0
91.04902	1.2
91.05486	23.5
93.07052	9.8
94.04187	4.2
95.04972	12.0
95.08614	18.7
97.06451	0.8
103.05460	1.4
105.04521	1.5
107.04971	9.9
107.08611	4.4
108.05761	1.5
109.02856	0.9
109.06526	37.7
109.10168	43.8
110.06070	1.0
117.07024	1.4
117.35427	0.8
119.04975	2.1
119.06088	2.4
119.08590	12.8
120.04513	1.2
120.15042	1.0
121.06505	3.3
122.03668	4.1
122.07299	47.5
128.82927	0.8
129.82249	0.8
135.08078	2.1
137.02490	6.8
137.05960	18.1
137.09625	100.0
137.13150	2.1
138.05534	6.2
138.09103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03945	1.0
55.05512	5.6
57.07080	5.3
59.12654	0.7
61.21134	0.6
65.03938	1.7
67.05510	30.0
69.03432	1.8
69.07089	4.1
71.41445	0.9
79.05496	9.1
81.07063	71.8
82.07394	0.9
91.05486	6.5
93.07059	8.8
94.04184	1.5
95.04987	2.0
95.08614	100.0
96.08923	1.2
104.34161	0.9
107.08632	1.0
109.06528	2.8
109.10169	7.1
111.35414	0.8
119.04982	1.3
119.08566	3.5
122.03635	1.9
137.02489	1.9
137.05937	4.7
137.09631	15.1
137.10632	0.6
137.13268	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	137.1326
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.47318	0.9
53.03947	2.0
54.87977	0.8
55.05514	4.4
57.07080	6.2
60.51235	0.9
65.03950	1.5
67.05507	33.6
69.03432	2.0
69.07065	5.6
69.53584	3.6
69.53991	1.7
79.05505	9.3
81.03417	2.9
81.07060	74.8
83.05037	0.8
91.05490	11.7
93.07052	10.3
94.04185	7.6
95.04970	4.0
95.08611	100.0
96.08934	1.2
98.20771	0.9
107.04974	1.3
109.06519	8.2
109.10163	9.2
109.45715	0.8
110.06065	1.7
116.04216	0.8
119.04970	2.7
119.08601	2.5
121.02840	0.9
122.03654	7.4
122.07317	1.3
137.02411	8.1
137.03473	1.9
137.04463	1.2
137.04799	1.5
137.05945	25.2
137.09624	16.5
137.13261	15.0
138.05528	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03942	0.4
53.67036	0.2
59.36585	0.2
60.88150	0.2
61.58336	0.2
65.03931	0.4
67.05508	0.6
70.62099	0.8
70.62453	0.2
78.03455	0.7
92.05009	6.5
92.05837	0.3
93.05774	0.4
94.06573	13.2
96.04498	1.4
100.28629	0.3
110.06052	6.7
111.04468	0.3
121.06516	0.7
138.05507	100.0
139.05888	1.4
154.04941	0.4
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	Sesamol
Peak:m/z	Relative Intensity
53.00308	4.8
53.03943	1.6
55.01872	3.1
55.05502	1.7
56.96550	1.2
60.01135	0.5
65.03944	13.1
67.01865	1.7
67.05502	3.1
67.21657	0.5
68.99789	3.7
69.03430	1.5
70.56732	1.8
82.99754	0.5
83.04976	3.1
93.03410	9.4
93.71754	0.5
95.04976	4.4
97.02888	1.4
98.97589	2.3
103.05496	0.5
111.04449	17.3
116.98620	1.1
121.02879	7.4
121.03805	1.1
139.03909	100.0
140.04274	1.2
156.31894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03945	2.2
55.01677	0.4
55.01877	5.2
55.05507	2.2
59.04989	0.6
62.81138	0.4
65.03946	10.4
67.01872	3.2
67.05513	6.3
68.99797	9.4
69.03414	1.9
70.66329	1.0
70.66684	1.0
71.01363	1.3
74.11661	0.6
83.04984	5.7
93.03412	10.5
95.04969	2.3
97.02898	2.6
111.04449	19.4
121.02881	1.6
121.03916	0.5
139.03911	100.0
140.04276	1.0
148.01213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
53.03929	2.6
55.05514	91.2
55.31762	2.7
56.05026	3.8
56.14031	2.6
57.07076	16.1
67.05479	2.6
69.03417	3.0
69.06724	4.3
69.07068	48.0
69.19219	27.0
69.39210	2.7
71.08636	3.2
73.97516	3.1
83.08621	100.0
84.08121	3.0
93.04507	3.4
97.10174	17.8
98.04814	3.9
98.07174	12.6
98.98467	5.6
121.03967	19.7
122.07151	5.8
139.05026	12.5
139.07549	5.6
139.08653	7.9
139.12291	9.2
140.08188	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	141.0911
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03949	1.3
54.35241	1.1
55.01860	2.9
55.05521	6.9
56.96543	1.6
57.03420	4.8
61.48696	1.2
64.88269	1.2
67.01863	1.9
67.05186	1.8
67.05512	25.6
70.96674	2.4
71.04993	1.8
79.05499	18.0
81.03435	1.9
81.07063	100.0
82.07375	1.4
85.02892	2.9
85.07658	1.4
93.07040	4.6
95.04963	3.8
95.08614	83.8
97.06511	2.3
98.98441	1.5
99.04435	1.8
99.08101	6.4
105.07015	6.7
111.11928	1.2
112.08717	3.6
113.02370	8.5
114.09211	1.5
123.08054	12.3
141.01808	9.3
141.05429	3.1
141.07216	1.3
141.09126	2.6
141.11342	2.2
142.08618	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64734	12.2
71.50857	10.4
71.51231	17.4
75.70267	10.5
78.20766	12.2
101.00873	67.4
102.66827	10.4
106.55508	10.1
119.01942	100.0
124.35190	10.6
127.03414	14.5
142.03508	65.4
160.04546	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96418	4.6
53.76575	4.1
68.05025	7.6
71.00689	11.2
81.04527	13.3
82.99846	10.3
96.08134	10.7
101.00891	65.3
117.48405	4.6
119.01923	100.0
124.02464	14.5
124.08699	12.1
125.07068	6.7
137.02946	14.8
142.03485	40.2
142.08696	10.3
143.03351	5.1
148.65671	4.0
152.47035	4.3
160.04584	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05514	0.7
55.93070	0.6
58.06590	0.8
70.32349	0.6
70.68707	1.0
70.69038	0.7
72.05303	0.6
72.07796	0.9
72.08157	7.0
82.06579	7.4
82.93424	0.6
82.97278	0.6
84.04488	1.5
84.08144	0.7
86.06099	0.9
91.05479	20.4
100.04813	2.1
100.07617	8.7
112.11215	1.2
116.05141	0.6
117.05761	3.6
118.06545	100.0
119.04945	2.7
119.06889	1.7
128.04987	4.0
128.07047	1.5
130.05038	0.7
135.64297	0.5
146.06017	32.0
146.07953	5.5
147.04407	1.3
153.66209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.74437	0.5
58.37175	0.5
64.92804	1.0
65.03936	7.9
65.63958	0.5
69.53722	0.5
70.76687	0.7
70.77019	1.2
71.93195	0.5
75.76553	0.5
84.04509	3.7
91.05486	84.3
92.05787	0.9
105.07033	1.8
110.88823	0.5
119.04948	100.0
119.08614	1.8
120.05269	0.9
123.96439	1.1
147.04416	62.7
147.11646	0.7
148.04727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92795	1.1
65.03949	5.1
70.57368	1.8
72.99240	0.5
81.08681	0.6
84.04514	11.3
91.05488	81.2
92.05824	0.8
101.07957	0.9
102.05558	0.8
105.07052	4.1
117.07041	0.8
119.04950	100.0
119.08575	5.8
120.05271	1.6
123.96511	1.3
130.04985	4.0
147.04420	55.0
147.11676	4.9
148.04819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.61494	0.7
65.03938	6.4
67.31652	0.7
70.10571	1.3
70.10954	1.5
83.06908	0.7
84.04504	12.6
84.08109	1.4
91.05482	76.6
92.05849	0.8
101.07941	0.8
102.05519	0.7
105.07023	2.6
119.04944	100.0
119.08567	3.8
120.05267	1.2
123.96468	1.3
130.04980	4.5
146.13838	0.7
147.04416	55.4
147.08112	1.3
147.11697	2.6
148.04837	0.9
150.31660	0.7
155.22247	0.6
166.55981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.5
56.88802	2.8
57.03430	5.9
60.26860	3.1
61.02921	3.0
62.06894	2.6
64.92812	5.2
65.03947	7.5
67.05538	4.4
69.39836	7.7
69.40250	18.4
71.04991	14.9
72.08157	2.9
79.05500	3.7
83.04984	3.0
83.06924	4.3
84.04509	82.8
84.08162	5.9
85.02933	19.4
85.03355	4.0
91.05489	91.2
101.07177	5.6
101.07951	4.4
102.05521	5.3
105.07021	17.0
117.06989	3.7
119.04951	100.0
119.06863	4.2
119.08581	22.7
123.96487	10.2
129.06995	3.8
130.05002	25.6
147.04430	72.1
147.05490	4.3
147.08127	6.2
147.11691	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	147.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.9
65.03929	5.9
70.54243	3.8
70.54579	4.9
71.05008	13.1
71.54820	2.4
83.06931	3.4
84.04509	86.9
84.08109	2.7
85.02907	19.9
89.03953	2.4
91.05486	100.0
98.14329	2.5
101.07939	5.2
102.05548	5.6
105.07026	15.5
107.08670	2.6
108.37788	2.6
117.07018	3.0
119.04128	5.2
119.04946	95.5
119.08584	25.0
123.96460	6.3
130.05020	28.2
147.04425	76.3
147.05472	2.7
147.08072	3.3
147.11684	11.5
162.16830	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	147.0765
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05035	2.9
56.05864	0.6
64.72627	0.5
68.51532	0.5
71.31490	0.9
82.06611	0.7
83.06924	2.0
84.04507	100.0
84.08141	2.3
85.02887	1.4
85.04848	0.8
88.79799	0.5
101.07153	3.9
101.07944	1.0
102.05551	4.1
102.09198	0.8
107.27348	0.6
115.97443	0.5
129.07449	0.8
130.05006	41.9
146.83279	0.6
147.07590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	L-Lysine
Peak:m/z	Relative Intensity
56.05041	2.0
60.20833	0.4
67.05512	1.1
71.51364	0.6
73.35988	0.4
77.44588	0.4
77.53580	0.4
84.08150	100.0
85.06545	0.5
85.08513	1.0
86.23156	0.4
91.05491	1.3
119.04961	1.5
130.08653	16.6
147.04411	1.3
147.11279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.18116	0.9
53.03945	1.9
55.05518	15.0
64.92806	2.7
65.03932	2.2
67.05502	1.9
69.07072	3.4
70.57297	3.2
79.05496	6.4
81.07043	1.9
84.04491	3.5
91.05490	52.9
93.07037	4.4
98.15651	1.1
103.05473	4.2
105.07041	87.9
107.04967	9.7
107.08605	3.9
117.07023	10.8
119.04962	23.9
119.08591	100.0
120.08939	1.0
123.96442	5.2
129.07016	2.4
130.05013	1.7
131.08578	1.5
132.05763	5.7
132.09363	3.2
145.10133	6.4
147.04427	10.6
147.05547	1.9
147.08060	36.6
147.11705	59.6
148.12154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	5.8
56.13343	0.5
57.07062	0.9
57.21386	0.6
58.06585	0.9
67.05505	1.2
70.54349	1.3
70.54681	0.9
72.08159	9.0
74.02444	4.7
84.04509	100.0
84.08142	8.4
85.02906	2.4
85.04841	4.8
93.94203	0.6
95.04974	1.2
97.83553	0.5
102.05550	19.7
102.08568	1.0
102.09190	12.0
106.05028	0.6
113.06047	1.7
130.05006	12.7
130.08676	1.8
131.05338	2.1
148.06084	2.8
148.09698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
53.32816	0.6
56.05032	5.2
62.14894	0.5
64.28710	0.5
65.03956	1.1
66.41884	0.6
68.12226	0.5
69.62469	2.4
84.04510	100.0
85.02921	1.6
85.04852	1.5
91.05513	3.7
92.05816	0.9
93.07055	2.5
102.05550	19.5
105.07004	1.3
106.07342	1.0
116.06306	0.9
117.20483	0.6
120.05310	1.5
120.08931	1.0
121.02892	1.6
121.10158	1.2
129.07045	0.7
130.05011	12.5
131.05313	0.6
131.08554	3.7
140.36452	0.5
148.04901	1.2
148.06087	2.7
149.02341	3.8
149.09625	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	148.0606
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
55.02504	0.4
56.05042	5.3
56.83882	0.4
56.84167	0.5
59.03448	0.4
60.04512	0.5
60.64498	0.6
61.47370	0.4
70.22664	1.4
83.60283	0.5
84.04509	100.0
84.08158	0.5
85.02911	2.3
85.04325	0.5
85.04839	3.6
86.09706	4.4
87.65395	0.5
93.21129	0.4
102.04857	0.9
102.05547	19.0
102.09180	0.8
111.34742	0.5
116.77402	0.5
121.02902	0.5
130.05011	13.8
131.05354	1.8
148.06076	3.2
148.07120	0.5
149.02347	0.7
153.32751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
53.83046	0.4
54.77795	0.4
56.05035	5.3
56.53888	0.4
60.04498	0.5
65.03944	3.6
69.07093	0.5
69.31915	3.5
74.02435	0.5
79.05494	0.6
84.04509	100.0
85.02921	2.5
85.04842	3.0
89.35757	0.5
91.05487	2.1
92.05833	4.1
93.03405	0.5
93.07047	0.9
102.05550	19.6
102.09255	0.5
105.07041	0.6
106.07403	1.3
111.04459	0.4
111.34953	0.4
111.60144	0.4
119.04968	1.0
120.05284	5.0
120.08122	0.7
120.08951	1.9
121.02888	4.3
121.03995	1.3
130.05006	12.3
131.05415	0.9
131.08623	0.5
148.03889	1.2
148.04796	3.4
148.06085	2.9
148.07591	1.7
148.12106	0.8
149.02357	11.0
149.03517	0.8
149.06050	0.8
149.09633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.03948	3.8
55.01875	0.9
65.03947	9.0
70.53445	1.3
70.53764	1.0
79.05499	41.4
82.03085	0.6
85.04841	3.4
87.10039	1.0
91.05484	9.8
93.03391	2.1
93.07050	36.0
95.04978	4.0
98.43063	0.7
98.49489	0.7
103.05473	100.0
104.05793	2.0
105.04495	2.0
105.07027	2.1
107.04963	30.1
108.05341	0.9
111.04479	1.2
121.02881	10.9
121.03980	3.5
121.06517	17.3
131.04926	8.5
149.01160	1.5
149.02357	30.4
149.05994	10.2
150.02759	1.1
150.05496	0.9
150.07745	1.7
169.03516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.85921	1.2
53.03935	5.0
55.01852	3.2
65.03947	30.2
69.03439	6.1
69.51126	7.1
75.54583	1.1
79.05502	14.7
81.07056	2.7
84.04466	1.2
84.99815	1.0
85.04853	2.0
91.05486	48.5
93.03427	5.9
93.07050	24.6
95.04967	2.4
100.09516	1.2
103.05471	6.7
105.07042	29.5
106.07836	2.7
107.04955	3.7
107.08601	4.3
108.08143	1.0
109.06521	4.7
111.04445	4.2
115.05463	5.2
116.06250	18.7
116.85558	1.1
119.08572	5.6
121.02876	38.5
121.03986	12.3
121.06512	20.9
121.10152	33.3
123.08072	3.3
129.07040	6.5
131.04955	4.9
131.08568	25.6
133.07610	3.8
134.07300	2.6
147.08064	3.8
149.02357	100.0
149.06004	5.5
149.09628	93.5
150.02731	1.6
150.05530	1.6
150.09976	1.7
169.03439	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.45695	0.8
53.01171	0.9
53.03946	1.7
54.18296	0.8
54.90285	0.8
55.05511	3.3
65.03950	24.8
67.05512	13.1
69.07066	6.4
69.85493	4.8
75.32533	0.7
79.05503	18.9
81.07068	31.7
83.08624	2.5
91.05484	7.4
91.96295	0.9
93.03396	4.5
93.07057	30.7
93.07642	1.7
95.04947	1.6
95.08625	4.2
105.07051	2.5
107.08611	27.2
108.04477	1.7
109.06548	0.9
111.04473	3.8
121.02888	39.7
121.03992	12.0
121.06492	1.8
121.10172	7.9
131.08592	1.0
149.02371	100.0
149.03398	4.0
149.06015	2.3
149.09662	4.2
149.13280	25.9
150.02736	1.8
169.03563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03936	2.0
55.05511	3.7
57.07061	2.2
65.03949	24.4
69.07050	3.3
70.91708	3.0
79.05502	9.3
81.07053	3.1
83.87539	1.2
91.05465	11.5
93.03413	5.1
93.07043	18.0
95.08593	1.9
98.03700	1.7
103.05474	3.9
105.07043	27.5
107.08595	32.4
109.06545	2.7
111.04493	2.6
119.08584	7.7
121.02877	33.2
121.03984	9.9
121.10149	100.0
122.10474	2.8
123.08080	3.4
131.04959	1.9
133.07626	3.5
133.10141	2.7
134.10930	2.6
149.02357	67.6
149.03374	2.6
149.05998	4.6
149.09628	7.6
149.13283	19.0
150.02696	1.7
168.85387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	3.2
54.22622	1.0
55.01865	2.6
55.05505	3.1
57.07095	1.0
65.03941	32.0
67.05511	1.5
69.03453	0.9
69.07066	11.2
74.73307	0.9
79.05500	9.8
81.07066	9.7
85.04819	1.7
89.03982	0.9
89.38942	0.9
91.05484	14.3
92.05764	1.2
93.03387	5.8
93.07043	35.7
95.04961	1.9
95.08594	1.5
103.05457	3.0
105.07029	6.9
107.04978	1.7
107.08593	30.6
108.04498	1.8
111.04453	4.0
116.06295	1.8
119.08579	1.2
121.02866	44.4
121.03976	10.3
121.06496	2.4
121.10143	25.9
126.05466	0.9
131.04956	1.7
131.08549	6.2
149.02350	100.0
149.03349	3.5
149.05992	3.8
149.07037	1.7
149.09628	15.0
149.10754	1.9
149.12076	1.3
149.13257	23.9
150.02684	2.1
169.03543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03935	4.8
55.05521	11.3
56.30412	2.0
57.07084	3.6
65.03943	17.4
67.05490	8.2
69.07067	17.5
70.86523	3.9
79.05499	46.3
81.07059	27.6
83.08614	3.2
91.05495	21.7
93.03419	5.1
93.07052	100.0
95.04968	3.6
95.08614	7.3
105.07030	6.8
107.08607	76.0
109.06542	2.4
111.04453	1.8
119.06051	2.6
121.02882	18.7
121.03969	7.1
121.06508	2.9
121.10162	26.5
141.47156	1.7
149.02367	49.0
149.03455	2.2
149.09604	3.4
149.13266	48.3
149.14401	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.57278	0.9
53.03947	1.7
55.01858	2.7
55.05500	2.7
55.47580	0.9
56.26649	0.7
65.03617	1.8
65.03944	30.6
67.05503	16.3
69.07072	4.7
69.07379	0.8
70.17516	3.1
71.78706	1.0
79.05059	1.4
79.05494	13.8
81.07062	21.6
83.08618	1.6
91.05457	6.6
93.03415	6.4
93.06482	1.5
93.07049	23.8
95.04963	1.0
95.08617	4.4
98.03648	1.6
103.05468	1.6
105.07035	2.8
107.04980	1.7
107.08596	18.0
108.04456	1.3
111.04459	4.3
121.02874	42.2
121.03978	11.1
121.06499	2.1
121.10130	7.0
131.04951	1.3
143.46371	1.0
149.02354	100.0
149.06044	2.1
149.09639	5.5
149.13277	18.1
149.14410	0.5
150.02745	1.6
153.30893	0.8
169.03635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.8
51.54948	0.7
51.66143	0.7
52.39266	0.9
53.03939	1.2
55.01874	1.1
55.05502	2.7
65.03945	28.9
67.05507	1.3
69.07070	4.4
70.10455	1.5
70.10835	2.8
79.05497	10.4
81.07055	7.5
91.05496	7.7
93.03397	7.0
93.07055	20.7
95.04948	1.4
95.08593	1.7
98.03682	1.4
105.07018	3.4
107.08595	17.0
108.04501	1.4
109.06573	0.9
111.04438	2.8
121.02876	41.0
121.03983	11.7
121.06496	2.4
121.10158	6.7
128.00700	0.7
131.04903	1.3
131.08549	0.9
139.03902	0.8
149.02356	100.0
149.05995	2.5
149.09627	3.5
149.13280	8.8
150.02658	0.9
151.11821	0.9
169.03569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0584
Annotation	L-Methionine
Peak:m/z	Relative Intensity
53.03947	0.7
56.05037	100.0
56.90497	0.6
57.03425	1.2
57.05377	0.9
58.99604	0.8
61.01154	57.7
67.05515	2.1
68.05019	0.6
71.41520	0.6
71.51364	0.9
72.08172	1.0
74.02446	6.9
74.06078	7.2
75.02734	0.9
77.00642	0.7
84.04510	12.0
84.08149	1.0
85.01146	0.7
85.02442	0.6
85.02876	3.7
85.04836	1.4
85.34682	0.7
86.04954	2.8
86.06092	0.8
87.02697	12.5
91.05514	2.2
94.06582	4.0
95.04986	1.9
102.04867	1.2
102.05545	21.9
104.05331	76.4
104.56012	1.0
105.00134	0.7
105.03773	0.9
105.07108	0.8
106.06598	1.0
113.91792	0.6
118.03603	0.8
118.55692	0.7
119.04995	0.7
122.03174	0.9
122.06065	2.8
123.04432	1.6
127.07097	2.3
132.05435	1.6
133.03195	53.6
142.03545	1.0
150.02742	2.9
150.05649	13.1
150.07809	7.4
150.09149	1.5
151.03934	0.7
151.07555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02377	0.7
51.47503	0.3
52.00372	0.3
52.25928	0.3
53.03943	0.9
55.01866	1.4
55.05510	0.5
56.96557	1.2
57.03426	0.5
61.02924	0.6
65.03925	1.5
67.05508	9.1
68.99793	1.5
69.03437	0.8
71.21324	0.4
72.93801	0.6
73.02924	0.4
77.03944	1.0
79.05500	1.3
81.03429	1.3
81.07060	2.7
83.04970	1.1
89.06039	1.4
90.94815	0.5
91.05482	6.5
93.05790	0.8
93.07053	2.7
95.04974	14.9
95.08593	2.2
96.07655	0.3
97.02923	0.4
98.97591	1.0
102.30670	0.3
105.03391	2.1
105.04506	0.5
105.07018	2.4
106.06548	0.8
107.04984	0.8
107.08602	2.6
109.06548	1.7
109.10130	1.5
110.01283	0.9
119.01836	0.7
119.04948	2.9
119.05974	0.5
123.04431	100.0
123.08015	1.9
123.11650	0.5
124.04761	1.0
124.07595	0.5
125.04750	1.2
128.02292	0.6
128.98709	0.4
132.95830	1.8
133.01845	0.7
133.02858	13.8
133.06549	0.5
133.10129	1.2
134.06065	0.5
134.99672	0.3
135.04396	0.6
136.05167	0.7
137.48177	0.3
142.27780	0.3
150.96864	2.1
151.03911	50.6
151.07529	6.0
151.08675	3.6
151.11159	2.3
151.12267	0.5
152.04335	0.4
152.07001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03936	1.9
55.01858	3.8
55.05507	2.0
56.22385	1.2
56.66894	1.0
56.96563	1.2
57.65065	1.1
65.03931	1.4
67.05507	13.7
68.99820	1.1
69.03088	1.6
69.03433	25.3
71.32067	1.6
79.05492	8.8
81.07062	15.5
83.04972	1.6
91.05480	10.0
93.07066	5.9
94.04195	1.5
95.04971	7.4
95.08616	23.0
103.05447	2.6
105.07037	17.5
107.04942	2.9
107.08602	4.3
108.05753	2.9
109.06520	58.3
109.10149	3.6
119.01785	1.7
121.06500	1.9
122.07275	3.0
123.04423	3.9
123.08064	18.2
123.11674	3.0
124.14272	1.2
128.02336	1.4
133.06483	12.4
133.10138	2.3
145.11990	1.2
151.03961	5.7
151.07550	100.0
151.11214	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03941	1.0
57.03438	0.6
65.03947	3.5
67.05508	1.4
69.69848	0.4
70.09438	0.6
70.09770	2.2
72.93789	0.5
77.03954	0.5
79.05497	1.6
80.06275	0.9
82.01457	0.8
89.06046	2.8
91.05483	100.0
92.05795	1.0
93.07049	1.0
95.04968	10.1
95.08612	0.7
95.79285	0.5
98.20844	0.7
98.97581	0.8
103.05471	1.0
105.07037	1.5
107.04906	0.7
107.08584	0.6
108.05732	1.6
108.92834	0.5
109.06526	0.7
110.97610	0.5
119.04945	59.1
120.05270	0.8
123.04454	1.0
123.08064	1.8
128.02055	0.5
130.08618	0.5
132.95819	1.3
133.06482	0.7
133.37500	0.5
133.83382	0.5
134.06104	0.8
134.22504	0.5
136.05206	9.4
137.05972	4.2
151.03914	1.7
151.07542	56.2
152.06949	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	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
51.26347	2.4
53.03936	4.7
55.01871	14.7
55.05503	8.5
65.03928	6.5
67.01859	3.8
67.05506	36.9
68.70498	2.2
69.03439	14.0
69.07039	2.4
70.15267	4.4
70.15660	5.3
72.35654	2.7
75.07549	2.5
79.05504	14.1
81.03410	3.5
81.07064	50.3
83.05010	2.9
88.24620	3.1
89.06028	2.2
91.05499	22.2
93.07058	35.5
94.04176	2.8
95.04974	16.3
95.08609	71.3
101.73994	2.5
103.05448	4.0
105.07037	57.6
107.00717	2.3
107.04961	6.6
107.08594	12.6
108.05772	3.3
109.02893	2.7
109.06521	97.3
109.10149	12.0
119.04921	2.6
123.04427	14.4
123.08072	54.4
123.11700	9.6
128.02350	2.6
133.06520	15.6
133.10121	12.7
151.02895	4.9
151.03920	22.5
151.07549	100.0
151.08467	3.6
151.11169	27.1
152.07045	3.1
155.35008	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
55.01865	4.1
55.05501	4.4
56.96566	2.7
65.03934	3.5
67.05514	24.7
68.95281	2.8
69.03436	54.8
69.07063	1.9
71.52976	1.8
79.05493	11.2
81.03407	3.2
81.07063	26.2
83.04987	1.7
85.02914	2.0
88.00447	1.7
89.06042	3.7
91.05493	16.3
93.07053	22.1
95.04990	11.3
95.08613	39.5
98.97565	2.7
100.87675	1.5
103.05470	3.7
105.07036	41.2
106.06539	1.5
106.07355	2.5
107.04958	4.9
107.08590	9.9
107.47650	2.4
108.05747	5.0
109.02830	1.9
109.06525	73.4
109.10171	7.0
110.01168	1.9
116.48177	2.3
119.01764	3.7
119.06002	2.0
121.06470	2.2
122.07335	2.5
123.04456	6.0
123.08085	23.6
123.10017	2.0
123.11725	5.7
128.02332	1.8
133.06479	18.9
133.10159	6.3
147.23416	2.6
151.02887	3.0
151.03926	13.5
151.07559	100.0
151.09518	6.6
151.11192	16.6
152.01637	2.1
152.07024	3.0
152.44653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03947	1.2
55.05518	5.1
56.96576	0.5
57.07077	2.0
60.88340	0.5
65.03947	1.5
67.05512	33.5
68.95300	0.6
68.99776	0.7
69.03444	0.6
69.07075	6.2
69.43953	1.6
69.44376	1.9
71.08656	0.6
79.05498	7.1
81.03407	0.6
81.07066	54.7
82.07407	1.0
83.04976	0.7
83.08624	1.8
89.06055	1.2
91.05495	4.2
93.07056	6.1
95.04987	3.6
95.08617	100.0
96.08938	0.8
100.02480	0.6
105.07040	5.9
107.04994	0.7
107.08613	5.8
108.05779	1.2
109.06535	5.4
109.10167	28.3
110.06012	0.5
116.48188	0.5
119.04963	0.5
121.06546	1.1
122.07317	1.5
123.04426	0.8
123.08081	21.8
123.11728	2.5
128.02338	0.7
133.06590	1.1
133.07661	1.4
133.10167	4.3
136.08835	2.4
151.02908	1.0
151.03947	2.6
151.07556	3.5
151.08688	1.8
151.11194	12.3
151.12354	0.9
151.14838	7.7
152.07114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
55.05522	4.6
57.07083	1.2
65.03945	1.9
67.05508	89.8
68.05836	0.7
69.07074	4.4
71.53001	0.6
75.88142	0.6
79.05507	4.1
81.07062	40.2
83.08614	1.2
89.06046	1.2
89.90820	0.6
91.05479	1.3
93.07045	4.0
93.28195	0.6
95.04980	1.2
95.08614	100.0
96.08933	1.1
104.70818	0.5
105.07053	1.0
106.06522	0.6
107.08581	1.5
109.06556	1.5
109.10161	58.6
110.10486	1.0
123.04369	0.8
123.08092	1.2
123.11709	1.7
133.06447	0.6
133.10115	0.9
142.14833	0.6
151.02826	1.5
151.03969	1.4
151.04979	0.7
151.07503	2.1
151.08647	1.2
151.11212	2.0
151.14821	11.6
152.07051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03941	0.7
54.51075	0.3
55.05512	6.2
57.07069	1.2
65.03951	1.4
67.05509	91.9
68.05839	0.4
69.07072	4.8
71.08632	0.5
79.05495	4.8
81.03416	0.4
81.07061	46.0
82.07401	0.5
83.08633	1.3
85.10208	0.6
89.06052	0.4
91.05488	0.8
91.83844	0.3
93.07048	3.8
95.08611	100.0
96.08968	1.2
105.07050	0.9
107.08611	2.1
109.06539	0.7
109.10162	53.2
110.10493	0.8
120.40884	0.4
123.08084	1.0
123.11756	0.5
133.07626	0.5
151.03973	0.4
151.07552	0.9
151.08632	0.6
151.11221	1.0
151.14830	13.5
151.16054	0.7
161.86531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05513	5.0
57.07066	1.3
62.28659	0.5
65.03958	1.2
67.05507	55.2
68.05834	0.5
69.07066	4.3
71.28825	0.5
79.05495	9.0
81.07059	100.0
82.07391	1.0
83.08616	1.0
89.06041	1.0
91.05479	1.7
93.07043	4.2
95.04967	1.0
95.08609	93.4
96.08948	0.9
105.07040	1.2
107.08591	2.0
109.06497	1.2
109.10160	37.3
123.08060	1.1
123.11662	0.7
133.10123	0.8
151.03908	0.9
151.07524	1.2
151.08667	1.1
151.11162	2.6
151.14827	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	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
55.01861	0.2
56.96567	0.2
57.03436	1.3
68.69524	0.2
69.03436	0.4
69.67262	0.4
69.67668	0.8
70.06618	0.2
70.99869	0.4
73.01435	0.4
74.25573	0.2
78.52988	0.2
79.01844	0.5
79.05483	0.5
81.03417	0.4
82.01441	0.7
82.04073	0.5
83.04976	0.2
84.08137	0.2
85.01427	0.3
85.02905	0.6
85.63834	0.2
91.02458	0.7
92.05007	0.8
92.52681	0.3
95.04964	0.2
97.01394	0.6
97.02888	0.5
100.02489	0.8
101.00874	0.8
101.01569	0.3
103.02467	0.6
105.04053	0.3
106.06569	0.6
107.01385	0.2
107.03570	0.4
107.05002	0.9
109.05126	1.6
110.02172	0.6
110.03532	10.6
110.06058	0.6
110.97597	0.2
113.00926	0.2
114.04060	0.4
115.02432	1.7
117.03996	0.5
119.01916	1.3
120.02131	0.2
121.03532	0.4
122.06064	0.2
124.07578	0.4
128.04564	2.8
129.00343	0.4
129.03992	1.2
133.03474	1.2
134.03757	0.2
134.04665	0.7
134.06009	1.6
135.03029	23.1
136.01440	0.6
137.02943	0.4
139.28551	0.2
140.03180	0.4
140.04987	0.4
141.71358	0.2
143.03523	0.2
145.03433	0.4
147.01375	0.9
147.05043	0.9
149.03746	0.6
152.05701	100.0
152.07047	14.1
153.01891	1.3
153.04076	18.3
153.06084	0.8
154.02518	0.4
161.02969	0.4
170.03090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1072
Annotation	Phenylpropanolamine
Peak:m/z	Relative Intensity
51.19201	1.0
53.03951	6.2
53.52264	0.9
55.01877	2.2
55.05518	34.5
56.05042	4.8
57.03447	6.3
57.07079	1.5
65.03947	3.2
66.04734	2.5
67.04232	1.4
67.05511	7.5
68.05032	16.1
69.03435	2.4
69.07067	4.9
70.02962	8.8
70.06578	1.4
70.12925	0.8
70.94261	2.4
71.53123	1.4
72.04524	19.8
79.05499	54.8
79.40968	0.9
80.05022	7.0
80.05811	1.0
81.03416	1.6
81.05792	4.2
81.07064	100.0
82.02936	2.6
82.06581	9.4
82.07379	2.1
83.04980	3.2
83.08618	6.4
84.04501	3.9
85.06532	1.1
86.83521	1.2
88.75430	0.9
91.05486	4.4
93.03426	1.5
93.05795	1.3
93.07051	4.7
94.06580	6.1
95.04992	2.6
95.08620	5.1
96.04504	10.7
96.08138	32.3
96.08794	1.7
97.05275	1.0
98.06048	1.2
105.07018	2.3
106.06569	4.7
107.04964	2.7
107.08591	5.7
108.04488	1.5
108.08128	3.5
108.08895	1.3
109.06506	2.5
109.08890	1.1
109.10133	1.2
110.06068	10.0
110.09686	1.8
111.04461	1.5
111.96909	1.1
117.07024	2.9
118.06556	1.6
119.07333	2.6
121.06506	1.4
122.09684	1.8
123.08096	1.5
124.03992	2.5
124.07627	6.4
124.11235	4.6
134.06064	5.0
134.09647	17.5
134.10632	0.8
135.04370	1.2
135.08101	1.4
150.56760	1.0
152.01645	4.6
152.03391	2.0
152.05817	1.1
152.07057	18.6
152.10707	17.7
152.11850	1.4
152.14320	2.4
152.25259	0.9
153.12715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
53.03962	1.5
54.86842	0.8
55.01868	1.6
55.05512	9.5
57.03440	4.5
57.07069	2.0
59.04998	1.3
65.03951	3.4
67.05504	23.5
69.03436	2.9
69.07069	44.5
69.22980	3.2
69.23409	3.5
70.94255	3.3
70.95865	2.6
71.01376	0.8
71.04996	3.1
71.94083	1.5
79.05494	19.4
81.07056	31.6
83.04976	5.3
83.08614	6.7
84.04490	1.2
85.02892	0.8
85.06534	1.5
86.06063	0.8
88.95311	1.0
88.96935	1.1
91.05459	3.8
93.03432	2.0
93.07046	37.4
95.04968	2.3
95.08611	17.6
97.02899	0.8
97.06532	20.0
105.04541	0.9
105.07024	1.2
107.04937	1.8
107.08594	40.2
108.04475	0.8
109.06484	1.1
109.10157	31.2
110.01257	0.9
110.03666	2.3
111.04517	4.3
111.08081	6.2
111.11702	0.9
111.96881	2.6
111.98510	1.1
112.96722	2.0
119.08611	0.8
125.06006	4.0
126.06345	1.9
129.97910	2.0
135.04526	1.3
135.11693	98.0
136.03938	0.7
136.07578	1.2
136.12029	1.0
153.05498	4.6
153.07396	3.3
153.09138	2.8
153.12746	100.0
154.04982	1.1
154.08635	0.8
154.13049	1.5
154.15846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03943	2.8
55.01852	1.5
55.05513	13.9
57.03426	2.2
57.07072	2.6
59.05008	7.4
65.03933	3.6
67.05518	6.2
69.03436	2.6
69.07076	9.1
69.75079	5.2
70.94256	5.3
70.95849	2.2
71.04998	37.6
73.06553	20.4
79.05493	27.5
81.07059	100.0
83.04968	4.2
85.06575	1.2
91.05507	6.6
93.03406	4.2
93.07047	43.6
95.04957	3.3
95.08612	9.2
97.06538	7.1
105.07015	2.4
107.04967	1.5
107.08600	36.7
109.06516	3.2
109.10140	6.8
111.04462	5.7
111.08079	4.5
111.96845	5.0
119.08601	2.2
121.60616	1.2
125.05989	4.9
129.97937	1.3
135.04416	2.1
135.08041	2.0
135.11693	32.2
145.07433	1.4
153.01822	2.5
153.05423	3.6
153.06589	1.5
153.09096	2.7
153.12749	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.38451	0.7
53.03936	2.0
55.01852	1.6
55.05516	5.6
57.03427	2.2
57.07094	0.9
59.05001	1.8
64.16608	0.6
65.03943	5.6
67.05511	11.0
69.03423	2.6
69.07073	9.8
70.94254	2.3
70.95872	1.5
70.96439	1.7
71.04984	1.9
73.06567	0.9
79.05508	14.0
81.07063	12.9
83.04990	6.7
83.08623	2.1
89.01258	0.7
91.05482	9.3
93.03413	7.5
93.07051	66.2
94.07360	0.9
95.04984	3.0
95.08616	52.5
96.06905	1.0
96.08954	1.0
97.06537	9.2
105.04511	0.8
105.07044	2.8
107.04968	6.5
107.08604	100.0
108.08929	0.9
108.28856	0.6
109.06519	2.7
109.10173	13.6
110.03642	1.7
111.04453	9.8
111.08108	2.6
111.96886	1.5
111.98380	0.7
119.06156	0.8
123.08041	1.1
125.05990	4.4
125.09624	1.2
129.05998	0.7
133.29941	0.7
135.04468	4.4
135.08081	2.2
135.11705	43.2
142.11850	0.7
143.68578	0.8
153.01846	3.1
153.04395	1.0
153.05449	3.7
153.09126	2.4
153.12766	21.0
153.13881	1.6
154.08633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00299	1.2
53.03942	3.3
54.47071	1.4
55.05271	1.5
55.05513	13.1
55.93513	1.3
56.96568	1.8
57.07072	3.3
59.05008	8.3
65.03922	4.2
67.05502	6.5
68.96343	1.3
69.03397	1.5
69.07084	7.5
69.36877	8.2
70.94268	13.0
70.95866	7.1
71.04999	42.2
73.06188	1.5
73.06561	21.8
79.05500	26.8
81.07064	100.0
83.04969	3.1
83.08594	2.3
85.06529	2.5
88.95302	2.0
91.05483	11.6
93.03434	2.2
93.06490	2.8
93.07054	43.4
95.04980	1.3
95.08613	7.2
97.06554	9.2
103.56826	1.2
105.07030	2.9
107.08604	40.6
109.10141	6.4
111.04449	2.3
111.08075	3.9
111.96889	11.2
111.98455	2.1
114.26069	1.3
119.08570	2.9
121.00497	1.8
125.05997	1.4
125.43845	1.1
129.97853	3.2
130.00995	2.6
130.96329	1.4
135.10699	2.4
135.11697	33.8
139.01561	1.9
147.49980	1.3
153.05409	2.7
153.07390	1.4
153.12764	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	153.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74622	2.4
53.78314	2.4
55.05515	100.0
57.07074	15.6
63.04584	2.4
67.05504	3.0
69.07072	62.0
71.08633	7.7
78.89631	2.4
81.07049	2.6
83.08626	56.8
83.09116	3.6
84.06080	2.5
97.10176	68.0
99.47131	2.7
107.08542	2.7
107.40899	2.5
111.11710	3.8
112.08742	5.7
138.43753	2.7
147.06238	2.5
153.06592	3.0
153.11337	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	154.0864
Annotation	Dopamine
Peak:m/z	Relative Intensity
53.03942	0.3
55.01864	0.2
56.96556	0.2
57.03433	0.4
61.02927	0.2
65.03944	0.6
68.01395	0.5
68.96346	0.3
69.03420	0.8
69.96175	0.4
70.06602	0.3
71.51080	0.3
71.94105	1.7
72.93790	0.4
73.02924	0.2
79.05530	0.3
80.05032	0.5
81.03384	0.2
81.07066	0.8
81.40548	0.2
85.02909	0.4
87.01908	0.2
91.05488	29.1
92.05824	0.3
95.02448	0.2
97.02892	0.4
100.02496	0.4
101.00906	0.4
107.04982	0.2
108.04490	0.2
108.08122	0.2
109.06527	1.7
110.45119	0.2
112.96750	1.1
113.00861	1.1
113.03542	0.3
113.96389	0.3
119.04949	19.2
120.05309	0.2
126.05524	8.0
130.96323	0.7
130.97766	0.3
131.01923	1.6
131.05560	0.2
131.60789	0.2
131.96165	1.7
136.04060	0.2
136.04990	0.4
136.07576	0.5
137.05986	100.0
138.06339	0.9
143.01909	0.6
147.05138	0.2
148.97308	0.3
149.97206	1.2
150.41475	0.2
154.02377	0.2
154.03564	0.4
154.04988	7.7
154.06007	0.3
154.08606	1.9
154.12291	0.7
161.02991	0.4
163.06483	0.2
171.02525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05272	0.3
55.05514	3.9
56.05030	0.7
57.87845	0.2
65.03934	0.4
67.05485	0.6
68.05020	0.8
68.96344	1.3
69.03419	0.8
70.02925	0.3
70.06581	1.1
70.10154	0.6
70.94247	1.1
71.94102	1.6
72.93790	5.7
79.05507	1.2
80.02204	0.4
80.05016	0.6
80.71212	0.2
81.03385	0.2
81.06590	0.4
81.07056	5.5
82.06577	1.0
83.04986	0.5
83.07363	0.4
83.08615	1.1
84.04482	0.3
84.08151	0.8
87.04459	1.0
90.94832	1.8
91.05479	0.7
93.05762	0.8
93.07027	0.3
94.06550	0.3
95.04942	0.6
96.04504	0.7
96.08125	0.5
97.05274	1.7
98.06055	2.1
98.09711	1.4
98.10254	0.2
98.20789	0.3
100.06470	0.3
108.04520	0.5
108.08117	3.5
109.02870	0.5
109.06522	4.7
109.98948	0.9
110.06048	3.0
111.04434	0.6
111.06831	2.8
112.07553	0.3
112.96707	1.0
113.06044	0.4
113.96397	5.1
124.07589	0.3
125.08388	0.8
126.02693	0.3
126.05509	0.8
126.09158	3.8
127.03916	0.3
127.82166	0.3
128.00003	0.4
130.96304	1.4
130.97765	0.3
131.96478	0.4
131.97440	2.2
133.87938	0.3
136.03932	1.0
136.07571	3.7
137.05974	0.7
137.75874	0.3
138.05510	0.6
139.03955	0.3
139.06277	4.8
144.03728	0.5
148.97391	2.0
152.07065	0.3
154.02232	2.5
154.05141	2.5
154.08629	100.0
155.03416	0.3
155.07025	0.9
155.09036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05515	3.9
56.05032	0.5
57.07062	0.8
65.03936	1.1
67.05488	0.7
68.05014	0.3
68.96320	0.4
69.03419	0.7
70.06590	0.7
70.92367	0.5
70.94265	0.3
71.94087	0.9
72.93400	0.3
72.93792	5.1
79.05479	1.1
81.03419	0.3
81.06590	0.4
81.07057	5.2
81.28149	0.2
82.06573	0.9
82.96252	0.2
83.05007	0.3
83.07357	0.3
83.08622	1.2
84.04472	0.3
84.05275	0.2
84.08157	0.5
87.04433	0.2
90.94815	1.1
91.05493	0.4
93.03403	0.9
93.05766	0.3
94.07407	0.2
95.04958	0.3
96.04507	0.2
96.08147	0.5
97.05267	2.0
98.06061	1.5
98.09689	1.6
101.93590	0.2
108.07503	0.2
108.08141	2.0
108.08827	0.4
109.02847	0.4
109.06529	4.2
109.10168	0.3
109.98914	0.2
110.06052	3.1
111.04453	1.3
111.06834	2.6
112.96715	0.7
113.96407	4.3
121.73608	0.2
124.07627	0.3
125.08360	0.7
126.05498	0.2
126.09168	2.8
130.96317	0.7
130.97797	0.4
131.97455	1.6
136.03995	0.3
136.07571	1.0
137.02364	0.3
138.05548	0.5
139.05257	0.4
139.06274	3.1
148.97357	0.9
152.07004	0.4
154.08638	100.0
155.07074	0.3
155.08987	0.9
155.14357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	p-Menth-1-en-9-ol
Peak:m/z	Relative Intensity
55.05513	27.7
57.03423	3.9
57.07079	86.0
58.07413	1.9
59.04760	1.9
59.05007	24.4
67.05508	14.3
69.03419	3.2
69.07069	32.1
70.95866	4.0
71.05005	10.3
71.17266	2.5
71.17592	1.8
72.93791	100.0
73.06571	1.6
79.05470	2.9
80.43748	1.4
81.07057	40.2
83.04964	6.8
83.08618	14.5
84.04452	2.0
85.06535	10.3
90.94838	23.2
91.05528	1.9
94.00849	1.6
95.01338	3.1
95.04970	4.6
95.08610	51.0
97.06525	2.5
97.10178	12.5
98.98480	2.6
99.04460	2.6
99.08102	2.1
108.95872	1.7
109.02879	3.1
109.06509	3.2
109.10162	7.5
110.06036	1.6
111.04436	4.4
111.08063	1.9
111.11713	4.2
113.06026	2.9
113.96407	77.4
116.19106	1.7
119.08614	1.8
123.04451	1.8
127.03898	3.9
127.07561	4.1
131.96394	2.7
131.97440	35.6
132.95860	4.0
137.06006	1.9
137.13255	48.4
138.86597	1.6
150.96861	4.7
154.99031	4.8
155.03442	7.4
155.05920	2.0
155.07063	13.9
155.10696	2.3
155.14308	37.0
155.15457	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85431	0.8
53.03931	1.1
55.01852	1.1
55.05509	5.1
55.93515	0.9
57.03423	1.6
57.07076	70.3
58.07411	0.9
59.04993	1.6
65.03933	3.8
67.05505	12.9
69.03426	1.5
69.07062	4.6
70.95846	5.8
71.04978	3.6
72.93788	100.0
79.05470	2.6
81.03450	0.9
81.07049	11.7
83.04987	5.4
83.08587	1.4
84.04459	0.7
85.06084	1.6
85.06546	20.4
88.96921	1.2
89.02416	1.1
90.94276	1.6
90.94823	22.3
91.05474	0.8
93.03397	2.6
93.07037	1.3
95.04961	2.5
95.08611	8.8
97.06515	1.7
97.10104	1.0
98.20797	1.9
98.98489	0.9
99.04465	2.6
99.08092	2.6
100.94360	1.2
102.09392	0.9
108.95865	2.0
109.02866	2.7
109.06538	6.2
109.10156	11.3
110.06049	1.1
111.04433	9.8
111.98493	3.9
113.05997	2.8
113.96402	77.6
123.60175	0.8
127.03941	2.2
127.07524	1.7
127.74636	0.8
129.99519	1.4
131.96191	2.5
131.97437	34.2
132.95834	11.8
137.02328	2.4
137.05962	2.0
137.09610	2.4
137.13234	2.3
138.05490	0.9
149.97241	1.3
150.96880	13.2
154.99022	1.9
155.03421	4.0
155.07065	11.3
155.08963	9.8
155.10629	1.8
155.14270	7.1
156.09303	1.4
173.98508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0424
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
55.97814	0.8
56.29445	0.8
58.06598	0.7
64.50214	0.9
70.90224	2.4
74.09729	14.0
82.05288	0.9
83.06104	2.4
93.04533	1.2
95.06100	2.3
96.96920	4.7
109.18329	0.7
110.07181	33.6
112.05267	7.4
118.33952	0.8
130.05347	1.1
130.06323	17.0
156.04234	100.0
156.07736	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	157.1589
Annotation	Dihydromyrcenol
Peak:m/z	Relative Intensity
53.03953	2.8
55.01877	1.5
55.05517	92.4
56.96570	6.3
57.03435	1.5
57.06798	2.2
57.07080	38.4
57.93571	1.7
58.06597	2.7
59.04720	2.3
59.05007	43.6
62.72418	1.5
67.05478	1.2
69.07074	100.0
69.49059	4.0
69.49470	4.4
70.06581	5.5
70.07427	1.2
71.08635	23.8
73.06561	10.1
74.93150	2.7
74.93834	40.0
75.94862	1.2
81.07047	1.8
83.04986	3.7
83.08625	77.7
84.04514	1.4
85.02874	1.3
86.50417	1.1
92.94878	13.1
93.07020	1.4
95.04950	1.3
97.02914	3.0
97.06525	3.9
97.10181	13.9
98.06031	1.8
98.52166	1.1
98.97555	2.9
104.01269	1.2
112.07625	3.3
115.08654	4.0
115.96451	56.4
116.07135	1.3
116.97211	3.6
116.98587	2.9
127.38408	1.2
128.06294	1.4
129.07002	3.8
133.97481	20.4
139.03905	5.8
141.07111	1.5
142.07831	8.4
151.97127	1.3
156.99081	4.5
157.04964	2.6
157.07605	2.7
157.10062	7.9
158.08411	1.6
158.09596	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	159.0766
Annotation	Hydroxyectoine
Peak:m/z	Relative Intensity
53.03930	0.4
68.05009	0.8
68.83208	0.4
69.03426	0.8
69.30718	1.6
69.31144	1.8
70.06594	100.0
71.04998	1.3
71.06929	0.7
71.94083	0.5
81.03438	0.7
81.04566	1.0
82.05354	0.5
82.06570	0.7
86.06079	3.9
88.07641	0.4
90.28566	0.4
95.06096	2.2
96.04519	1.1
97.02898	1.0
97.07663	0.9
99.04463	0.6
100.07629	0.9
111.05575	4.4
112.96715	0.5
113.07135	45.7
114.05529	10.2
114.09183	1.2
115.08694	3.8
116.07084	2.3
118.22995	0.5
123.05524	3.1
133.03500	0.8
134.04547	0.5
141.01825	1.9
141.06592	3.6
142.05089	0.7
148.04869	0.5
159.07666	12.4
159.12228	0.5
160.09717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05540	0.5
55.99693	0.4
56.96587	0.7
67.05510	2.9
69.31429	0.7
69.31834	2.5
70.06599	1.0
73.24065	0.4
76.93381	2.8
79.05490	1.2
81.07064	1.4
91.05490	11.1
93.07042	0.8
94.94465	0.4
98.20796	0.7
103.05492	1.0
105.07040	16.7
113.02401	2.0
113.07137	0.7
115.05478	3.2
116.06276	2.1
117.07030	28.3
117.95973	3.8
119.08596	8.6
128.06288	1.2
129.07018	12.8
130.07803	15.3
131.08583	71.0
132.08910	1.0
135.55850	0.5
135.96999	0.6
141.01851	8.1
142.07771	1.5
143.08566	1.0
144.09358	15.3
157.10129	3.7
159.02911	0.5
159.11710	100.0
160.12044	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95151	0.2
67.05504	0.3
70.96858	0.3
78.93155	0.2
81.07100	0.2
82.99847	4.2
83.05004	0.3
83.99929	0.3
85.01419	0.4
93.07047	0.2
100.02520	0.2
101.00892	43.4
101.95055	0.3
101.97794	0.4
102.00957	2.4
103.00636	0.3
103.02457	0.5
107.05263	1.6
110.04514	0.1
111.04474	0.8
115.02448	0.2
116.05803	2.6
116.55898	0.4
118.56097	0.1
119.01932	100.0
119.95802	0.2
119.98787	0.8
120.02009	4.2
121.01640	0.4
121.02401	0.2
121.03526	0.2
123.65119	0.2
124.02442	0.2
124.65239	0.2
125.02618	0.6
127.56596	0.2
129.03955	0.2
129.04797	0.8
133.03474	0.4
133.10143	0.2
137.02966	20.3
137.99818	0.4
138.03098	0.6
142.03502	1.5
143.01895	0.4
143.03645	3.8
144.03270	0.5
147.05013	0.3
160.04559	0.2
161.02988	7.0
161.04652	1.3
161.09650	0.3
179.04025	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44801	0.4
55.01878	0.9
55.05507	0.6
56.05049	0.6
57.03452	2.0
57.03682	0.4
58.58097	0.5
58.99846	0.4
61.02925	0.7
67.05505	0.8
69.03440	1.2
70.06570	0.4
70.16691	1.2
70.54488	0.3
70.99868	0.6
71.02981	2.5
72.08162	5.2
73.02905	0.9
77.20213	0.3
78.52956	1.1
79.05496	0.5
81.03412	0.5
82.01441	1.8
82.99844	4.5
84.04533	0.6
84.08151	30.2
85.02911	1.9
85.06531	0.7
87.04457	0.4
92.52676	0.6
94.71131	0.4
95.01320	0.5
97.01395	0.5
97.02894	2.3
98.09694	1.7
98.20892	0.5
98.97617	0.5
99.04475	0.4
100.02489	1.9
101.00891	45.3
102.00951	2.2
103.00632	0.6
103.02480	0.5
106.52429	0.7
108.04232	0.5
110.02125	0.4
113.00872	0.5
113.02393	1.7
114.04079	0.6
115.02427	1.7
116.05831	0.5
116.10786	1.0
118.03506	0.6
119.01931	100.0
120.02000	3.7
121.01634	0.8
124.02513	0.4
129.01836	1.0
129.03955	1.1
130.08646	8.7
131.01938	0.7
132.03468	0.4
133.02531	0.5
133.03447	2.6
137.02968	20.5
137.52426	0.5
142.03506	1.2
143.01945	3.2
143.03613	3.9
144.03331	0.4
147.05087	1.1
149.03745	0.5
149.10583	0.5
151.04478	0.6
157.03482	0.4
159.05077	0.9
161.02975	9.7
161.04355	0.8
161.05722	0.9
161.10786	0.9
161.12845	2.2
162.02998	0.5
179.04013	7.3
180.04283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.60570	0.4
53.03951	1.7
55.05515	4.6
56.68827	0.4
60.93938	0.4
65.03948	0.5
67.05508	11.8
69.07071	5.8
69.12234	0.4
70.58965	1.0
70.59351	0.9
77.03928	0.9
79.05500	13.7
81.07063	20.2
83.08614	0.7
91.05489	47.7
92.05804	0.7
93.07054	16.5
95.05010	0.8
95.08614	7.6
103.05482	0.8
104.06285	0.5
105.07038	68.6
106.07313	0.6
107.08607	4.3
109.43150	0.5
117.07025	5.8
118.07813	0.8
119.08588	94.2
120.08859	0.7
120.09463	0.5
131.08591	3.2
132.09364	1.9
133.10136	65.5
134.10449	0.9
136.19148	0.4
145.10167	0.7
146.10921	1.1
159.11696	1.9
161.13268	100.0
162.13632	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03936	1.3
55.05302	0.7
55.05513	7.8
55.16947	0.7
55.70289	0.7
60.08160	1.8
67.05508	5.9
67.37869	0.7
69.03402	0.7
69.06777	0.8
69.07076	8.1
69.22906	4.8
69.23334	2.6
75.26413	0.8
79.05499	8.6
81.07061	14.9
83.08625	0.8
85.02897	1.3
88.02209	0.7
91.05485	44.3
93.07046	13.4
93.60780	0.8
95.04987	1.3
95.08585	3.3
98.70662	0.8
103.03963	4.3
103.05437	3.7
104.06230	1.1
105.03407	1.5
105.07034	87.6
107.08607	4.6
115.05449	2.1
117.07018	15.6
118.07789	0.8
119.08584	100.0
120.06588	0.9
120.08891	1.2
121.10177	0.9
131.08556	5.9
132.09396	3.6
133.06509	2.0
133.10133	45.1
146.10886	1.3
159.11700	4.1
161.05995	1.7
161.09682	3.5
161.13258	88.6
162.11250	6.1
162.13582	2.1
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	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03943	0.3
55.01877	0.3
55.05514	5.8
55.60164	0.2
56.05023	0.2
67.05508	0.4
69.03440	0.3
69.07073	1.6
69.50615	0.6
69.51041	1.1
78.93114	0.4
79.05482	1.6
81.07057	0.8
84.04493	0.8
84.08155	2.6
85.02896	0.5
91.05483	7.1
93.07028	1.1
98.20795	0.5
101.95059	0.3
103.03955	0.3
103.05464	1.0
104.06265	0.6
105.03373	0.6
105.07035	13.0
107.08601	1.1
113.02342	0.4
115.05418	1.4
117.06989	2.4
118.04129	0.3
119.08584	100.0
119.95746	0.3
120.08883	1.3
121.10137	2.2
130.07770	0.3
130.08653	0.6
131.08556	2.0
133.06526	1.8
133.10132	15.7
143.04935	0.5
143.08522	0.5
145.10172	0.3
146.07304	0.5
146.10907	0.9
156.19588	0.2
159.11731	0.4
161.05981	2.9
161.07124	0.4
161.09622	3.0
161.13260	17.1
162.11217	0.8
168.11305	0.2
177.43173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.14986	0.6
53.03947	1.4
63.02375	1.6
69.03435	0.8
69.44438	1.1
69.44847	3.4
77.03916	0.6
79.05494	8.7
87.06313	0.7
89.03922	55.4
91.05483	1.5
93.07038	2.3
95.04996	1.6
98.20757	1.1
99.87171	0.6
103.05466	2.1
105.04505	0.7
105.07048	0.9
107.04969	11.9
107.08612	1.6
117.03384	52.7
117.07041	0.7
121.10097	0.8
130.06563	1.1
131.04959	2.1
132.08104	1.3
133.02872	1.3
135.04422	88.1
136.04774	1.3
145.02858	44.9
145.03885	2.1
145.10123	1.7
146.03192	0.8
158.06052	1.0
163.03914	100.0
163.11200	4.6
163.12363	1.1
164.04239	1.2
181.98239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03949	1.0
57.07087	0.7
60.52328	0.7
63.02368	1.3
68.89385	0.6
69.03439	0.8
70.69020	0.6
70.91019	1.7
74.29992	0.7
76.47541	0.6
77.03918	0.9
79.05498	8.8
89.03922	55.5
89.06012	0.8
90.04240	0.8
91.05499	1.3
95.04964	1.8
105.04524	1.4
107.04971	13.4
107.08613	0.7
117.03388	54.4
118.03697	0.7
130.06541	1.3
132.08112	1.8
133.02960	0.8
135.04422	89.5
136.04718	1.2
145.02863	41.1
145.03940	3.0
148.08009	0.8
163.03915	100.0
163.08675	2.9
163.12387	1.0
164.04216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	3.7
55.01861	1.6
55.05516	3.8
56.96573	1.2
57.03431	1.4
57.07076	2.9
59.05009	1.0
65.03969	0.9
65.12605	0.6
67.05506	1.3
69.03419	4.3
69.07059	2.3
69.44100	1.1
69.44509	4.0
79.05500	13.7
81.03422	0.8
81.07065	2.4
83.05005	0.8
84.08170	0.7
85.02924	1.9
89.03923	16.4
89.06018	1.9
91.05485	21.9
93.07049	42.4
95.04952	5.0
95.08628	1.2
103.03968	1.0
103.05467	8.9
105.04527	1.7
105.07038	14.9
106.06567	2.4
107.04958	9.6
107.08600	84.2
108.08943	1.1
109.06522	3.3
115.05469	1.2
117.03380	14.4
117.05750	1.6
117.07028	6.1
119.04969	1.1
119.06102	1.8
119.08574	12.3
120.08074	1.3
120.09358	2.6
121.06512	2.7
121.09311	1.2
121.10147	14.1
123.08052	0.7
130.06522	3.3
130.07704	0.7
131.04936	8.8
132.08104	5.4
133.02855	4.5
133.10158	1.2
135.04424	30.8
135.08163	3.2
135.11699	100.0
136.12021	1.4
145.02861	12.9
145.03920	0.8
145.06546	1.4
145.10130	6.7
148.09915	0.7
157.48041	0.7
163.03914	54.7
163.07503	5.3
163.11180	20.7
163.12352	6.3
163.14894	2.3
164.07146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02388	0.6
53.03734	0.6
53.03950	4.9
55.01880	4.9
55.05519	4.9
56.96567	1.0
57.03435	2.7
57.07082	3.1
62.73496	0.6
63.02383	1.1
65.03931	0.9
67.05506	5.4
69.03432	4.6
69.07059	3.3
70.62919	0.6
71.04977	1.1
72.08166	0.8
72.30770	0.6
73.02902	0.8
79.05499	22.9
81.03419	1.8
81.07060	5.9
81.51469	0.6
83.04980	2.2
84.08135	1.5
84.26154	0.7
85.02904	1.5
89.03923	28.9
89.06035	1.8
91.05485	12.1
92.02612	0.8
93.06487	1.3
93.07051	20.8
95.04973	8.6
95.08595	5.0
97.06503	0.9
98.97600	2.1
99.04464	0.8
100.02480	1.6
103.03967	1.2
103.05470	16.3
104.05708	0.6
105.03387	1.6
105.04514	2.3
105.07050	11.3
106.06589	2.9
107.04961	18.3
107.07043	0.7
107.08600	20.6
108.08829	0.7
109.06540	1.2
110.01274	1.2
115.05472	2.0
116.06215	0.7
117.03387	23.8
117.05723	2.5
117.06153	0.7
117.07022	12.3
118.03532	1.3
119.01836	0.9
119.04938	2.2
119.08588	6.9
120.08073	1.0
121.06509	6.9
121.10157	10.8
121.95834	1.6
122.06089	0.7
127.03978	0.7
128.06168	0.7
130.06563	5.3
130.07738	3.7
130.52562	1.0
131.04933	19.8
132.08096	8.2
132.12761	1.5
133.02859	7.6
133.10104	1.4
135.04425	57.9
135.08009	3.9
135.11696	12.0
143.08530	1.3
145.02859	21.0
145.03996	1.4
145.06470	4.2
145.10143	17.4
163.03915	100.0
163.07518	9.2
163.08600	1.2
163.11197	34.9
163.12346	6.1
163.14742	3.0
164.04410	1.4
164.07018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.47741	0.5
53.03950	7.3
55.01867	1.2
55.05512	5.7
55.61785	0.6
57.03426	0.5
57.07080	2.8
61.02932	1.2
61.24997	0.5
65.03916	0.8
67.05180	0.9
67.05508	14.3
69.07078	5.7
70.97798	0.7
71.52600	0.8
73.02875	0.7
77.03925	1.8
79.05497	29.6
80.05047	0.6
81.03413	1.5
81.07059	24.8
83.08617	4.2
84.08143	1.4
85.02923	1.1
89.03886	1.0
89.06033	1.0
91.05481	7.4
92.02615	2.1
93.07048	31.0
94.89950	0.6
95.04981	7.4
95.08611	21.6
97.10185	0.5
100.02477	1.0
103.05452	1.7
105.03415	3.8
105.04515	3.5
105.07021	2.0
106.06551	2.5
107.04973	3.9
107.08597	28.3
109.10142	1.2
109.86239	0.5
117.03354	1.4
117.05727	1.4
117.07030	1.4
119.04926	1.3
119.08568	1.6
119.72963	0.6
120.08115	1.0
121.06552	0.9
121.10150	39.6
122.10500	1.0
130.06560	6.0
131.04926	1.9
132.08096	6.6
133.02859	20.7
135.04419	19.8
135.05341	0.5
135.08043	0.7
135.11690	5.6
145.02858	0.7
145.06482	1.0
145.10153	1.4
163.03909	100.0
163.07588	1.8
163.11081	7.6
163.12329	4.9
163.14822	37.4
164.04230	1.6
178.53033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79156	0.8
66.43986	0.6
70.93055	1.4
71.44180	0.7
82.01447	1.1
82.99844	10.5
91.05466	1.6
95.04988	2.5
100.02496	1.2
101.00888	75.5
102.00966	0.9
110.42892	0.6
111.00456	0.6
117.59840	0.5
118.03606	0.7
119.01926	92.0
119.04897	3.2
120.02042	0.9
120.08147	0.9
123.04469	4.4
124.02460	17.5
137.02956	10.7
141.03571	0.6
142.03505	100.0
143.03627	1.9
147.04413	3.8
154.43504	0.7
160.04573	15.2
165.05156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65199	0.4
52.25356	0.4
60.93129	0.5
62.24665	0.4
70.06272	2.0
82.01466	0.8
82.99848	11.1
84.25505	0.4
99.90073	0.5
100.02470	1.2
101.00890	66.6
102.00948	1.1
105.01900	0.4
111.00435	0.7
119.01931	86.5
120.02023	0.9
124.01766	0.3
124.02456	15.1
137.02969	9.6
142.03510	100.0
143.03632	0.9
160.04579	14.9
165.05168	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	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.02674	0.2
57.65899	0.2
63.24881	0.3
65.03960	1.0
69.46510	1.8
69.46906	0.4
91.05492	20.7
95.04974	0.9
98.20771	0.6
103.05598	0.3
119.04956	44.5
120.05207	0.3
123.04457	1.6
128.96828	0.3
142.03514	0.3
147.04425	100.0
148.04771	1.2
165.05490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03960	0.8
67.05530	0.5
70.41277	0.5
70.41662	0.3
79.05497	0.5
81.07066	0.6
91.05494	19.2
92.05843	0.2
93.07074	0.3
95.04987	1.8
95.08604	0.5
101.00902	0.6
103.05460	0.2
105.04562	0.2
105.07071	0.4
107.08614	0.4
109.06563	0.3
109.10163	0.5
119.02000	1.1
119.04959	42.5
119.08581	0.6
120.05309	0.4
120.08130	0.7
121.10151	0.4
123.04472	1.5
123.08067	0.4
136.75185	0.2
137.09604	0.4
142.03534	1.1
147.04430	100.0
147.11729	0.6
148.04758	1.1
160.04523	0.2
165.05544	1.8
165.09160	0.6
165.12790	1.3
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
54.63862	0.2
64.46169	0.3
65.03944	0.9
67.05503	0.4
70.76474	0.4
70.76779	0.3
73.08302	0.2
81.07032	0.3
82.99866	0.2
91.05487	20.5
93.07093	0.3
95.04961	1.2
95.08599	0.3
95.43491	0.2
101.00876	0.7
109.66417	0.2
112.35663	0.2
118.86017	0.2
119.01945	0.9
119.04949	42.3
120.05293	0.5
120.08081	0.6
121.10157	0.3
123.04403	1.4
123.08075	0.3
137.09575	0.4
139.66991	0.2
142.03537	1.1
147.04417	100.0
148.04768	1.2
165.05525	1.6
165.09114	0.3
165.12781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79442	0.2
64.97540	0.2
65.03947	0.9
69.76478	1.2
91.05488	17.1
95.04982	0.6
98.20750	0.3
119.04949	39.9
120.05278	0.6
123.04436	1.1
142.03517	0.3
147.04417	100.0
148.04741	1.1
153.44214	0.3
165.05495	2.7
166.29616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
59.33885	0.2
65.03947	0.7
69.55207	0.5
69.55624	1.0
71.55532	0.2
72.85007	0.2
79.05504	0.2
82.99895	0.2
84.35937	0.3
89.76584	0.2
91.05484	19.6
93.07018	0.4
95.04976	1.2
95.08608	0.3
101.00893	1.4
103.05488	0.2
105.07035	0.5
107.08566	0.5
107.70988	0.2
109.06524	0.4
109.10162	0.3
112.88177	0.2
116.32201	0.2
119.01958	2.3
119.04948	40.5
119.08599	0.9
120.05264	0.4
120.08104	1.0
121.06558	0.3
123.04433	2.3
124.02467	0.4
142.03482	2.4
147.04416	100.0
148.04749	0.7
150.48088	0.2
160.04507	0.4
165.05540	2.0
165.09137	0.8
165.12778	0.4
177.38214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.8
69.55355	1.2
69.55756	0.6
72.96944	0.2
91.05488	18.1
95.04977	1.1
98.20815	0.5
101.00892	0.6
119.01942	0.9
119.04951	39.3
120.08118	0.4
123.04449	1.9
142.03456	1.3
147.04419	100.0
148.04773	1.1
160.04640	0.3
165.05478	1.8
165.09102	0.4
181.29482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.24591	0.7
53.03952	2.0
55.01889	3.0
55.05517	6.4
57.03439	5.6
59.05039	0.7
64.39885	0.7
65.03949	1.5
67.05508	30.7
69.03440	3.2
69.07084	6.1
70.57282	2.1
71.05003	2.2
79.05095	0.5
79.05496	30.2
81.07060	66.9
83.04980	7.1
83.08624	1.5
85.06544	3.6
91.05486	43.8
93.07050	35.8
95.04968	9.7
95.08612	16.9
97.06542	6.3
99.08134	1.0
101.00883	6.1
101.02608	0.7
105.04499	1.1
105.07037	60.5
107.08598	20.6
109.06517	10.8
109.10143	3.5
117.07043	1.4
119.01938	9.5
119.04956	20.4
119.08587	47.7
120.08110	4.7
121.06548	0.8
121.10151	58.6
123.04427	2.1
123.08073	5.6
123.11724	9.3
124.02483	0.8
137.02994	2.2
137.09639	3.1
137.13269	1.2
142.03499	9.8
142.96724	1.3
145.10165	1.2
147.04416	48.2
147.11693	100.0
148.12033	1.4
152.06902	0.7
160.04597	2.2
165.04324	1.1
165.09076	2.3
165.12761	88.4
166.05083	1.0
166.08611	1.1
166.13115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.37461	1.2
53.03940	1.7
55.01877	2.0
55.05502	4.1
57.03448	5.9
60.32765	1.0
65.03940	1.9
67.05181	1.8
67.05513	24.8
69.03430	3.3
69.07060	5.0
70.62702	2.5
71.04977	1.8
79.05495	24.1
81.07067	55.8
82.99830	1.4
83.04999	7.2
83.08627	1.3
85.06530	3.6
87.84427	1.1
90.21494	1.1
91.05492	48.3
93.06478	2.2
93.07056	29.6
95.04977	13.5
95.08613	19.6
97.06535	5.8
101.00911	11.6
101.02600	1.7
103.05487	1.5
105.07044	45.5
107.08606	16.1
109.06535	9.4
109.10143	5.8
117.07006	1.3
119.01942	29.6
119.04951	43.9
119.08598	36.7
119.09214	0.7
120.08138	8.9
121.10155	43.2
123.04468	3.2
123.08061	5.8
123.11700	5.4
124.02465	3.6
127.76154	1.0
132.78539	1.2
137.03049	6.1
137.06064	1.0
137.09628	5.5
137.13260	2.7
142.03519	26.4
142.96718	1.6
147.04430	100.0
147.11707	67.7
148.12030	1.6
160.04591	6.4
165.05313	4.8
165.09093	3.3
165.12776	63.8
166.08635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.77243	0.4
55.05517	3.2
63.41538	0.3
67.05492	1.1
68.09242	0.3
69.03448	0.8
69.07077	2.3
71.05002	0.5
71.38243	0.7
72.34398	0.4
79.05495	2.1
81.03419	1.2
81.07058	4.5
82.99853	0.6
83.04990	0.8
83.08599	2.7
85.02902	0.5
85.06512	0.5
91.05493	4.2
93.07064	1.2
93.88406	0.3
95.04968	100.0
95.08610	3.6
96.05320	0.8
97.06532	0.7
101.00879	2.9
105.07045	3.0
107.08599	9.6
109.06521	18.5
109.10167	1.1
109.82216	0.3
110.06849	0.5
113.82411	0.3
119.01912	5.3
119.04943	7.6
119.08601	1.9
120.08083	1.4
121.10132	2.2
123.08054	1.0
123.11723	1.2
124.02467	0.7
137.03018	0.8
137.09636	0.9
137.13261	1.4
142.03497	6.3
145.81363	0.4
147.04416	16.8
147.10513	0.6
147.11676	9.4
150.06891	0.4
152.08133	0.4
160.04579	1.1
165.05455	0.7
165.09096	2.0
165.12755	65.3
166.08607	0.4
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.05028	0.6
63.02341	0.2
63.57863	0.2
69.75763	1.2
74.02441	1.3
75.02703	0.3
79.05491	1.2
80.05003	0.2
82.72482	0.2
84.01186	0.2
91.05492	0.8
93.07048	2.1
94.93022	8.1
94.93627	0.4
96.05315	0.3
98.20792	0.2
101.00858	0.3
102.00984	0.6
102.05566	0.3
103.05473	8.5
106.06575	0.4
107.04953	2.5
119.01947	0.5
120.02030	1.3
120.08111	100.0
121.06516	0.9
121.08452	0.9
123.04417	0.2
124.04779	0.7
125.73866	0.2
131.04922	2.5
134.05959	1.1
135.20349	0.2
138.03076	0.2
142.03497	0.3
143.03615	1.6
148.04868	0.2
149.02631	0.4
149.06020	1.3
161.04782	0.3
165.84769	0.2
166.05078	0.7
166.07281	0.6
166.08618	3.4
166.09958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.07282	0.7
54.89497	0.7
55.01872	1.1
57.03893	0.8
61.01138	2.4
64.75819	0.8
65.03940	2.0
69.03436	1.5
70.61917	0.7
71.37370	1.4
74.02428	1.6
77.03925	0.9
79.05495	28.1
81.07065	0.9
83.04955	1.0
84.08141	1.2
87.02693	2.2
91.05491	0.9
93.03417	1.6
93.07047	3.2
94.93019	100.0
95.01391	0.9
95.04986	2.8
95.21956	0.7
101.23585	0.7
103.00629	1.8
103.05446	4.6
105.03718	5.2
106.06562	2.6
107.04948	2.1
107.08608	1.0
109.06551	0.8
111.04471	4.7
120.02130	1.2
120.05262	1.1
120.08109	48.6
121.01686	4.8
121.02824	1.3
121.06489	5.6
121.08437	6.1
121.10188	0.8
123.04424	1.7
126.02284	0.7
127.85629	0.7
131.58650	0.8
134.06007	3.8
139.02808	1.4
139.03925	2.4
144.03224	4.7
148.04750	1.1
149.02362	7.9
149.03413	1.2
149.05971	2.4
166.07452	1.1
166.08678	6.3
166.91666	0.7
167.03412	6.6
167.07266	2.5
167.09183	1.0
167.10652	1.2
172.24980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55599	2.3
55.05272	4.1
55.05518	58.7
57.07076	10.0
69.07077	100.0
71.08630	5.9
83.08634	28.6
84.72866	2.6
85.10191	4.4
93.07043	3.4
97.10178	39.4
107.08601	2.7
111.11719	17.3
121.08408	2.7
125.08270	27.6
148.15102	2.5
167.09369	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	168.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71522	4.0
69.23087	8.9
69.23507	39.2
91.05479	30.3
95.04963	5.7
96.04471	6.0
119.04934	26.4
122.06036	6.4
142.42015	4.6
145.03586	10.9
150.05521	79.1
151.07552	100.0
168.06564	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	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
58.22314	0.5
65.03943	1.1
65.43874	0.4
67.05520	0.8
69.94701	2.4
79.05492	0.9
81.03409	0.6
89.06023	1.7
91.05485	31.0
94.06557	2.2
95.04966	5.8
97.02921	0.7
99.04375	0.5
103.00622	1.5
103.98354	1.1
104.45291	0.5
106.06545	1.2
115.26863	0.5
119.04949	26.1
121.01648	1.6
121.99422	0.7
122.06016	2.6
123.08054	0.6
136.04248	0.5
136.05205	3.5
137.05954	1.7
140.04305	0.6
140.07024	0.6
145.00938	1.6
145.03543	2.2
150.05504	14.1
150.09021	0.5
151.07550	100.0
152.07936	0.7
163.02052	0.6
168.06567	3.0
168.10211	1.1
173.46101	0.5
175.85860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
52.40324	0.4
52.64953	0.5
66.64227	0.5
67.01868	4.0
67.05499	2.3
67.13837	0.5
68.99783	1.8
69.70132	2.8
70.48238	0.5
77.43034	0.4
80.32603	0.4
85.02919	0.6
86.03123	0.6
90.65871	0.5
95.04967	5.4
96.61019	0.5
107.87832	0.5
109.02900	0.9
123.04434	30.8
124.04780	0.7
127.03930	7.9
151.03911	44.1
152.04250	0.6
169.04973	100.0
170.05360	1.4
178.32927	0.5
187.82755	0.5
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	480-66-0
Peak:m/z	Relative Intensity
53.03945	0.9
55.01866	0.6
60.59119	0.5
67.01538	0.9
67.01869	11.9
67.05514	3.2
68.99788	2.7
70.66692	1.6
74.70209	0.5
76.92125	0.5
79.05492	0.7
81.03416	1.0
81.07034	1.4
83.04981	1.8
85.02908	9.1
95.04977	5.3
95.08614	1.4
97.06507	0.7
109.02938	1.1
109.06507	1.1
109.10157	1.3
111.00788	0.5
111.08070	1.1
123.04430	21.1
123.11671	0.8
126.03148	0.6
127.03927	11.9
141.05496	1.4
151.03909	52.8
151.11133	0.7
152.07063	0.8
169.04970	100.0
170.05289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20031	0.4
53.05964	0.4
55.51206	0.4
67.01880	2.7
67.05494	1.9
68.99776	1.3
69.40981	2.6
69.41402	1.1
73.14220	0.4
78.41411	0.5
95.04982	4.1
109.02825	0.5
123.04436	23.3
124.04745	0.5
127.03933	8.7
143.52306	0.5
151.03917	40.8
153.78696	0.5
169.04979	100.0
170.05312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
50.79966	0.2
51.86344	0.3
53.03957	0.4
55.01878	0.7
55.05516	0.7
56.96564	0.3
57.03437	0.4
57.07067	0.8
59.04997	0.3
65.03947	0.7
66.72382	0.3
67.01871	3.4
67.05515	4.4
68.99783	1.8
69.03428	0.6
69.07082	0.8
70.63051	0.8
71.04993	0.6
74.91995	0.3
79.05499	0.9
80.75920	0.3
81.03431	0.7
81.07069	4.2
83.04984	0.4
83.08615	0.3
85.02919	0.9
85.06550	0.6
91.05512	0.8
93.03474	0.3
93.07050	0.9
95.04398	0.3
95.04981	5.4
95.08612	1.3
97.06558	0.4
99.04473	0.5
105.07047	0.6
107.08624	0.9
109.02917	1.1
109.06519	0.9
109.10152	2.8
111.00824	0.4
111.04453	0.5
111.08099	2.9
113.95172	0.3
123.04442	26.0
123.08095	0.8
123.11725	2.7
124.04720	0.9
124.07591	0.3
125.06025	0.4
126.03107	0.6
127.03928	8.0
127.04829	0.6
127.11224	0.8
133.10139	0.9
134.06017	0.3
141.05498	1.5
151.03922	43.5
151.11198	1.0
152.04276	0.6
152.07071	1.0
169.04982	100.0
169.12224	0.7
170.05305	0.9
170.08241	0.4
179.46378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(-)-1,2-campholide
Peak:m/z	Relative Intensity
53.03932	1.8
55.01869	2.5
55.05511	3.9
57.02170	1.1
57.07080	7.0
59.04997	1.5
65.03953	1.8
66.12946	1.0
67.01851	2.4
67.05515	17.9
68.49699	1.1
69.03419	1.6
69.07069	6.4
69.25066	3.0
69.25486	8.2
70.06612	1.3
71.04993	5.8
72.49514	1.1
74.64006	1.0
79.05484	3.3
81.03416	2.4
81.07069	12.2
83.08626	3.7
83.34354	1.1
85.02897	2.1
85.06543	3.0
91.05508	2.5
93.07063	7.0
95.04968	3.8
95.08627	4.6
99.04444	1.8
105.07054	2.8
107.08604	4.2
109.02905	3.8
109.06525	2.6
109.10170	72.2
110.10495	1.9
111.04446	2.9
111.08096	100.0
113.06030	1.1
123.04417	9.6
123.08085	3.8
123.11714	4.2
124.04678	2.3
124.07542	1.4
126.03127	2.0
127.03966	3.8
127.11207	94.4
132.73045	1.1
133.10147	2.7
141.05487	7.1
151.03926	16.2
151.07576	1.5
151.11198	5.0
152.07124	2.8
169.03540	2.3
169.04997	39.7
169.09950	2.3
169.12259	18.7
170.08194	1.9
170.09650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	ATF-606
Peak:m/z	Relative Intensity
55.05506	1.0
55.93526	1.1
56.05039	4.2
56.96552	1.9
57.03410	0.9
65.35851	0.6
67.05505	0.7
68.05019	2.0
69.03422	2.6
69.07061	0.7
70.06599	54.7
70.72835	1.6
71.05000	0.9
73.02927	0.8
79.05498	4.3
80.04998	1.0
81.07067	1.3
82.06599	1.3
84.04494	2.0
84.08141	1.0
86.06043	0.7
87.04462	1.6
93.05779	1.1
94.06563	1.9
96.04464	1.0
96.06875	1.1
96.08134	27.2
97.05229	1.1
98.06039	1.0
101.00827	0.7
106.06553	13.7
108.08137	3.1
108.36018	0.7
110.06064	0.8
110.07174	0.8
114.05550	1.2
114.09165	10.2
122.08797	0.9
124.07600	63.2
124.11230	2.2
125.08363	3.2
128.95103	5.2
134.06052	1.2
136.06163	0.7
142.03476	1.4
142.08632	25.1
146.96092	2.2
152.07050	3.8
157.69130	0.9
170.08136	100.0
170.09419	4.0
170.11710	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	171.029
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.02374	1.4
53.03946	5.0
55.01884	12.1
55.05522	7.0
56.96561	2.8
57.03441	2.1
58.06601	1.5
59.04974	1.4
67.05498	1.1
68.99778	2.2
69.03438	6.4
69.07083	1.8
70.06580	4.5
70.72384	3.3
70.94243	2.6
72.04524	9.2
72.08156	14.5
73.02903	1.3
79.01856	6.0
79.05483	2.8
81.03424	52.5
81.07042	2.0
83.01332	1.9
83.04961	3.5
83.08623	2.6
84.04484	1.6
84.08134	4.0
85.02900	2.3
85.04708	1.1
86.06059	1.6
86.09689	2.3
87.04472	3.2
87.52560	1.1
88.95285	3.0
89.07147	7.3
96.02103	4.9
97.02891	8.7
97.06538	2.2
97.07162	1.9
98.06059	1.5
98.97579	1.7
100.02485	4.5
100.07634	1.3
101.00872	3.9
102.00982	2.3
107.01323	68.1
107.04941	2.1
109.02888	90.9
109.06487	1.4
110.07156	3.1
110.07887	1.2
111.00796	2.5
111.04441	3.4
115.03953	3.8
119.01908	6.3
120.02029	2.2
121.01632	1.2
125.02364	52.5
125.05988	1.8
125.07040	1.1
127.03928	91.5
128.02325	1.3
129.04007	1.2
130.04974	1.7
135.00803	8.0
135.06361	3.9
136.55304	1.3
137.03535	2.1
139.00270	23.7
139.03896	2.8
143.01831	1.6
143.03535	6.2
143.11766	1.2
145.03444	1.2
147.05081	1.4
147.96602	1.8
148.01512	1.9
148.05177	1.2
149.03706	1.4
151.04126	1.2
153.01842	100.0
153.07420	7.3
154.04959	1.2
154.08640	1.1
156.07658	1.5
156.09314	1.1
157.01344	10.1
165.97697	1.6
170.01480	1.1
171.02904	45.9
171.06500	2.2
171.08382	1.1
171.09804	2.3
171.11348	4.8
171.14891	8.0
177.89449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03949	1.2
55.01878	4.0
55.05518	4.4
56.96561	1.1
65.03951	20.8
67.01878	1.3
67.05502	1.9
68.99799	7.2
69.03437	1.8
69.07066	1.4
70.06599	0.7
70.08975	0.5
70.94273	2.9
71.01340	0.5
71.05012	1.0
71.21613	0.9
72.04526	5.3
77.34140	0.5
79.01875	0.4
79.05507	1.9
81.03420	3.4
81.07055	0.9
83.01339	1.1
83.04990	10.1
83.08627	2.9
84.04534	0.7
84.08150	0.9
85.02922	1.5
86.09728	1.0
88.90847	0.6
88.95314	2.0
89.07170	5.3
93.03420	9.6
95.04986	1.4
96.02117	0.9
97.02894	2.4
97.06528	1.1
97.10197	0.5
107.04976	1.1
107.08595	0.9
109.02931	1.0
109.06477	0.6
111.04455	69.5
111.08092	1.2
115.67694	0.4
121.02969	1.1
121.04011	5.9
123.63949	0.5
125.02394	0.6
125.06016	0.9
125.11592	0.8
126.09159	0.5
127.03952	1.3
129.53622	0.8
135.03464	0.7
138.54152	0.8
139.00359	3.3
139.03917	100.0
140.04288	0.9
143.08694	0.5
147.54684	0.7
147.96593	1.3
153.01852	3.6
157.01306	1.1
165.97711	0.7
171.02950	3.4
171.06575	8.4
171.07973	0.6
171.12148	2.2
171.14938	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03952	1.4
55.05513	16.6
59.04997	3.6
60.03151	0.7
60.03456	0.7
61.98798	0.7
65.03979	0.7
67.05501	3.9
69.03449	0.8
69.07067	1.3
69.21071	0.7
69.76159	4.0
72.08147	0.7
72.93797	6.7
76.02226	1.2
78.44807	0.7
79.05491	2.4
81.07057	6.1
83.04991	18.7
84.08111	0.8
85.06552	1.4
87.04465	2.7
89.02384	2.3
90.90377	1.2
90.94854	6.6
91.05488	9.7
93.07039	0.8
95.08611	1.9
97.06487	0.8
99.04430	0.9
101.06022	14.4
103.03284	1.8
103.05473	1.1
105.07040	12.1
108.95849	1.5
109.10144	1.2
110.10464	0.8
111.04449	26.5
113.06014	2.0
113.96403	1.4
115.05454	2.4
116.06262	2.6
117.07032	5.1
119.08589	10.2
127.03928	1.2
127.07556	2.8
129.05508	7.1
129.06998	11.1
130.06563	3.2
130.07826	2.3
131.08577	87.0
132.08917	0.9
133.10143	1.7
142.07771	1.3
143.08563	15.3
144.09343	6.3
145.06511	1.2
145.10130	24.7
149.96129	2.1
155.03391	1.0
155.05794	0.9
155.07043	16.6
157.10107	0.9
158.10927	24.3
167.97168	3.1
171.11681	2.2
173.04672	1.2
173.05920	1.7
173.08151	31.6
173.09685	1.8
173.13271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	0.4
55.05511	5.8
57.07082	0.7
59.05005	1.2
64.28929	0.4
65.03955	0.3
66.61720	0.3
67.05511	2.5
67.97390	0.3
69.03415	0.6
69.07062	0.6
70.05055	1.0
71.04994	0.3
72.93797	3.2
79.05495	1.1
81.07056	2.3
83.04993	5.4
83.78852	0.4
85.02903	0.5
85.06542	0.4
86.09697	0.6
87.16244	0.3
90.90392	0.7
90.94823	3.5
91.05486	6.1
93.07063	0.9
95.08596	0.6
99.04453	0.5
101.06011	4.2
103.03300	0.4
103.05498	0.4
105.07040	7.4
107.08554	0.5
108.95883	0.6
109.10155	0.7
110.10541	0.4
111.03709	0.6
111.04453	8.5
111.08056	0.4
113.05978	0.7
113.96391	0.5
115.05455	1.5
116.06255	1.5
117.07049	3.1
119.08587	10.7
127.07542	0.9
128.06244	0.8
128.07089	0.6
129.05519	1.6
129.06999	6.3
130.07793	2.8
131.08574	57.3
131.93036	0.7
132.08908	0.8
132.95796	0.4
133.10152	2.1
142.07794	0.9
143.08569	17.4
144.09357	6.7
145.10136	24.5
149.94069	1.3
149.96069	1.7
150.96858	0.4
155.03322	0.5
155.07025	5.4
155.10625	0.4
156.09332	1.1
157.10133	1.0
158.10921	31.7
167.97179	1.2
171.11702	2.4
173.05917	1.3
173.08173	9.5
173.13268	100.0
174.13602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05514	27.1
56.96568	1.4
57.07065	1.2
59.05001	6.3
66.44004	1.0
67.05496	4.1
68.54232	0.9
69.03428	1.5
69.07076	12.0
71.04979	1.3
71.06108	1.2
71.08635	100.0
71.52943	0.9
72.93790	11.8
74.34420	1.1
76.02241	1.6
81.03462	1.0
81.07041	3.8
83.04499	1.1
83.04987	21.0
84.04489	0.9
85.06536	2.7
86.37131	1.0
87.04475	1.3
89.02367	1.6
90.18509	1.0
90.90382	5.5
90.94832	11.5
91.05465	3.1
95.08597	1.7
98.98486	1.1
99.04449	2.4
99.08098	63.5
100.07605	1.1
101.06015	17.5
103.03263	3.6
103.05464	1.2
105.03360	1.3
105.07030	4.3
108.91441	1.1
108.95839	2.8
109.10153	1.7
111.04446	33.0
111.18792	1.0
113.05977	3.1
113.96421	1.2
115.05442	2.4
117.07013	5.5
119.08569	3.6
127.07534	4.9
129.05475	9.7
129.06992	2.7
129.12750	5.8
130.07755	1.7
131.08562	22.3
131.92972	3.2
131.97417	1.8
137.70578	1.1
143.08525	7.0
144.09332	2.5
145.06441	3.0
145.10133	9.8
148.63734	1.1
149.94084	6.9
149.96117	5.5
155.07053	20.6
155.08315	1.1
155.14267	1.4
158.07274	2.4
158.10941	10.4
167.95093	1.2
167.97179	5.3
172.97670	1.1
173.04688	1.4
173.05946	2.6
173.08151	45.5
173.09673	3.0
173.13261	39.8
174.12694	1.9
174.18427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.58639	0.7
56.96571	1.7
57.03441	100.0
57.48494	0.7
59.05002	0.8
60.05655	0.7
69.03433	2.1
69.07085	0.9
70.06607	2.1
73.03558	0.6
79.05507	1.0
81.07053	1.3
87.04504	1.4
91.05482	5.8
92.90081	1.1
97.02926	2.0
98.20782	1.2
98.98473	17.7
105.07019	4.3
111.04441	0.8
115.04004	1.2
116.07034	0.8
117.07036	3.3
119.08586	45.0
127.03897	0.7
129.07005	2.2
131.08530	0.9
133.10126	4.6
142.07809	1.9
147.08072	3.9
147.11697	3.2
151.93933	1.8
157.10110	2.1
175.06088	0.9
175.07605	0.9
175.11188	30.3
175.14574	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	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.60515	0.9
55.01867	1.1
57.03440	100.0
57.39248	0.9
61.86678	0.7
68.10997	0.7
69.03420	1.3
69.07029	1.3
70.06588	1.8
70.78149	2.2
70.78521	0.8
79.05480	1.2
81.07043	1.6
87.04439	1.1
91.05486	11.0
92.90075	1.2
97.02887	2.1
98.03707	1.0
98.97856	1.4
98.98467	16.8
103.05459	0.8
105.07037	5.8
107.04895	0.8
111.04448	1.2
115.03951	1.0
115.05386	1.1
117.07023	3.4
119.08587	62.4
129.06987	2.0
131.08591	1.5
133.06493	1.4
133.10143	5.6
139.03885	1.9
142.07831	1.5
145.06546	1.2
146.07269	3.6
146.08353	0.9
147.08072	7.9
147.11732	4.0
151.93837	1.6
157.10135	1.5
159.31918	0.8
163.87512	0.9
175.03862	0.9
175.06154	1.4
175.07524	2.0
175.11185	36.5
175.14763	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	175.1191
Annotation	DL-Arginine
Peak:m/z	Relative Intensity
50.85521	0.6
55.01856	0.5
56.05025	1.0
60.05653	32.7
69.03441	1.0
69.23240	2.3
69.23671	2.5
70.06596	100.0
71.04998	2.3
71.06932	0.7
72.08161	5.8
79.35867	0.5
82.06580	0.7
84.08147	29.1
85.02923	1.1
85.06540	0.6
86.09660	0.8
87.04485	0.8
97.02882	1.2
97.07658	0.6
98.06066	10.2
98.98464	3.0
99.04465	0.9
103.08162	0.6
111.04473	0.9
112.07620	7.5
112.08722	3.6
113.07126	6.9
114.05538	1.0
114.10300	1.0
114.74305	0.7
115.04007	0.8
115.08718	6.7
116.07099	33.5
127.03914	0.7
128.07120	0.9
129.07458	3.0
130.08655	10.3
130.09775	11.4
130.12306	3.2
132.02126	1.3
139.08684	2.5
140.07051	3.4
141.06607	0.7
157.09738	3.3
157.10844	1.1
158.08125	6.0
158.09302	7.1
159.07663	6.7
174.89688	1.3
175.06068	0.8
175.11935	29.3
175.14294	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	0.5
53.48811	0.6
55.01870	0.9
55.05513	6.1
60.05655	5.2
67.05509	2.3
69.03430	1.1
69.07075	18.7
70.06599	12.2
71.52737	0.7
76.21213	0.5
79.05490	2.1
81.07071	5.1
83.04984	0.5
83.08632	4.1
87.04497	0.8
91.05492	9.8
93.07070	3.4
95.05003	0.7
95.08629	4.8
97.02906	1.6
98.03728	0.5
98.98476	9.4
103.05492	0.8
105.07040	21.7
106.17971	0.6
107.05001	0.9
107.08596	3.9
111.04442	1.1
113.07139	1.1
115.03995	0.6
115.05455	1.3
116.07082	3.1
117.06996	2.8
118.06511	1.1
119.08592	74.0
120.08900	1.0
121.10139	2.7
127.03871	1.1
128.06227	0.6
129.07056	1.7
130.09778	1.1
131.08578	3.6
132.08095	0.8
132.09308	0.6
133.06483	1.4
133.10141	59.4
135.11685	1.0
137.04898	0.6
142.07793	0.9
145.10135	5.6
146.10933	1.2
147.04353	0.6
147.08125	1.2
147.11690	9.2
147.12820	0.9
157.10153	1.6
158.09213	0.9
159.07671	0.7
160.05241	1.6
160.08723	0.7
160.12500	2.4
173.13284	2.1
175.03928	0.9
175.07529	4.2
175.11305	3.2
175.14839	100.0
176.14282	6.2
179.00122	0.6
189.32065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64936	0.9
69.86544	4.1
70.06596	34.1
71.06936	1.4
85.22410	0.8
93.82553	0.8
96.01233	0.8
98.20766	1.7
101.93196	0.7
113.07135	20.0
114.05550	4.7
115.08730	4.9
116.07092	3.8
132.02119	100.0
133.02431	1.5
159.07657	24.1
176.01114	27.2
176.12373	1.0
196.30890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1032
Annotation	L-Citrulline
Peak:m/z	Relative Intensity
55.01855	0.5
56.05034	0.6
57.03434	0.8
57.93612	0.5
58.99593	3.2
60.05651	2.0
61.06005	0.6
68.05035	0.5
69.03452	1.1
70.05437	1.5
70.06595	100.0
71.04994	2.6
71.06304	0.4
71.06927	4.1
72.04517	1.0
72.08134	0.5
73.02917	0.9
74.06020	0.5
75.94630	0.5
81.03426	1.2
81.77232	0.4
84.04505	10.7
84.08147	1.8
85.01106	0.6
85.02903	1.9
85.08482	1.8
86.00662	4.1
86.06072	2.7
86.09711	1.1
86.99042	3.2
87.10060	1.0
88.07635	1.2
95.01347	1.5
96.04500	0.8
97.02905	0.8
97.07668	1.0
98.06060	0.7
98.97588	1.3
102.03785	0.7
105.00079	1.7
105.23144	0.5
110.07146	0.4
112.02197	4.1
112.07579	0.5
113.07133	60.3
114.05536	10.8
115.08697	14.2
115.09331	0.4
116.01662	0.7
116.07095	9.7
116.10724	0.7
116.97234	3.9
117.07439	1.3
119.01909	0.8
120.08107	0.9
125.58913	0.4
130.03227	7.6
130.06531	0.9
130.08662	2.2
130.09708	0.7
130.12292	2.0
131.01810	0.7
131.06883	1.3
131.09047	0.8
131.99539	0.7
132.01176	0.6
133.04796	0.5
133.09729	0.5
134.95871	0.7
137.68480	0.5
141.06561	1.6
142.04996	1.9
144.06557	0.5
148.04268	2.2
148.07594	0.9
152.96968	1.0
155.03741	0.4
157.97446	0.6
158.02727	0.8
158.08086	0.9
159.07655	66.9
160.07890	0.5
171.05019	0.5
175.98491	1.5
176.03738	6.4
176.04974	0.6
176.07019	1.1
176.09007	0.5
176.10338	1.9
176.12265	2.0
176.14592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1437
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
51.65166	0.2
53.24826	0.2
54.62972	0.2
58.68221	0.2
60.44831	0.2
62.03331	0.2
62.80920	0.2
66.24432	0.2
91.62357	0.2
98.20788	0.5
118.06555	18.3
119.07370	0.4
132.08105	6.7
133.08879	2.6
134.09654	1.2
146.09666	5.9
147.10435	0.7
148.04495	0.2
148.11258	0.5
160.11241	0.7
161.12042	0.3
176.14363	100.0
177.14729	1.2
180.72879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02395	1.3
53.03933	3.4
55.01861	3.8
55.05499	3.9
56.96562	1.2
57.03437	2.8
63.02377	1.3
65.03942	1.4
67.05177	1.8
67.05508	26.0
69.03431	1.5
69.07079	5.4
70.11181	3.1
70.11555	1.8
71.04980	2.7
73.16526	1.0
79.05499	32.6
81.03419	2.1
81.07062	42.6
83.04989	8.3
83.08617	4.8
89.03921	19.9
91.05488	47.2
93.07048	53.1
95.04971	10.1
95.08618	11.3
95.09525	1.1
97.06532	11.9
98.20633	1.1
98.98466	10.8
99.08100	3.6
103.05475	2.6
105.04507	1.4
105.07040	24.1
106.04189	2.7
107.04948	2.9
107.08595	19.6
109.02840	1.3
109.06544	4.8
109.10210	1.8
111.08070	1.3
115.05474	1.2
117.03386	35.0
117.06231	1.9
117.07029	35.9
119.08589	8.9
121.02897	1.1
121.06544	5.0
121.10145	19.4
129.06995	1.0
131.04944	2.1
131.08577	43.8
133.06506	1.9
133.10144	60.2
134.03615	4.4
135.04395	2.6
135.08073	5.3
135.11694	13.2
137.09653	2.5
144.09363	1.8
145.02853	56.5
149.02362	5.0
149.06013	13.6
149.07896	1.3
149.09633	4.6
149.13280	17.1
151.08420	1.1
157.10121	2.0
159.08113	2.2
159.11702	74.0
161.09608	1.9
162.03142	1.3
163.03885	1.5
172.71823	0.9
177.05469	27.1
177.06606	1.2
177.09241	5.6
177.12764	100.0
177.14601	8.9
177.16376	10.2
177.31749	1.0
178.15909	6.9
186.05479	3.0
196.13048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Ethcathinone
Peak:m/z	Relative Intensity
50.28880	0.3
55.05498	0.3
56.96566	0.4
59.93112	0.3
62.01786	0.3
65.21629	0.3
68.05026	0.4
69.03412	0.3
69.84882	0.3
69.85198	1.7
79.05534	0.4
83.04987	0.3
88.02213	1.8
91.04970	0.3
91.05453	1.7
92.05048	0.4
93.05785	0.4
93.07063	0.3
98.21456	0.6
100.95843	0.3
105.07014	1.8
107.08585	0.4
108.86781	0.3
110.06131	0.3
110.81239	0.3
115.05498	0.7
116.98625	0.4
117.05733	0.3
117.07047	0.8
118.03716	0.8
118.06544	6.4
118.96815	2.2
119.04984	0.5
119.07337	6.2
122.10532	0.3
123.04437	0.4
128.06244	0.5
131.07280	0.5
132.08104	1.2
133.99107	0.3
134.09657	45.5
134.61526	0.3
135.09991	0.5
136.03949	0.3
136.07599	1.1
136.95464	0.3
144.90520	0.3
146.03191	1.2
150.05409	0.5
154.96492	1.1
159.97075	0.4
160.11224	3.1
162.09142	1.6
163.09946	0.6
172.95261	0.6
177.98096	1.5
178.04913	1.5
178.12277	100.0
179.03464	0.9
179.12692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0705
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03955	0.5
55.01878	1.2
55.05502	0.3
56.96561	0.4
58.99580	0.7
64.60783	0.2
65.03950	0.4
67.05515	1.4
68.99820	0.3
69.03424	0.6
70.06599	0.3
70.28243	0.7
71.01362	0.5
71.05016	0.3
76.02237	2.5
77.03944	0.3
79.05493	1.6
81.03429	0.4
81.07064	3.6
83.01344	0.4
83.04984	0.6
83.08662	0.3
84.08164	0.3
89.03899	0.2
91.03889	0.2
91.05494	4.1
93.07047	0.9
94.04190	1.0
95.04966	1.8
95.08641	1.0
101.02518	0.2
103.05486	0.4
105.03403	0.6
105.07039	2.4
107.04958	2.1
107.08611	1.0
108.04485	0.3
109.06529	1.9
109.10168	0.8
111.04451	0.3
111.08082	0.3
115.05458	0.5
116.01675	0.6
116.25713	0.2
117.07034	0.5
119.04969	3.1
119.05844	0.3
119.08593	1.3
120.05721	0.2
121.02840	1.8
121.06499	0.4
121.10180	0.8
122.03689	1.2
123.04446	4.4
123.08067	0.6
123.11694	0.3
128.06248	0.3
131.04944	0.3
133.02879	1.6
133.06496	1.0
133.10149	2.2
135.04453	0.3
135.08026	0.4
135.11678	0.4
137.05984	100.0
138.06326	1.0
143.08540	1.1
144.01108	0.3
146.07310	0.2
147.04427	6.5
151.03909	1.6
151.11179	1.0
161.05966	1.7
161.08067	0.3
161.09633	1.1
161.13322	1.0
162.02283	0.4
162.09091	0.4
179.03413	9.5
179.07039	1.8
179.10555	1.3
179.14337	0.9
180.06563	0.5
180.10092	0.2
187.37373	0.2
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
53.03944	1.6
55.01871	1.6
55.05498	4.7
57.03433	4.4
65.03905	1.9
67.05509	26.7
69.07062	5.7
69.15178	14.1
71.05004	2.9
79.05496	16.4
79.75652	1.3
81.07063	67.3
83.04989	5.0
83.08618	2.8
85.06531	4.6
91.05482	21.3
93.07059	30.7
95.08614	60.8
97.06527	10.4
99.08101	5.7
105.07039	26.0
106.16722	1.2
107.08616	12.4
109.06553	2.9
109.10163	4.0
111.08074	4.3
119.08598	43.9
121.10159	11.9
123.08076	5.8
133.10139	29.7
135.11699	25.3
137.09650	1.6
137.13315	1.9
146.45525	1.3
151.11217	1.7
161.13280	77.4
167.32477	1.5
179.14326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	2.0
55.05514	6.6
57.03436	5.9
57.07074	1.2
59.05004	0.5
65.03946	1.2
67.05508	36.0
69.03443	2.1
69.07069	8.2
70.69134	0.7
70.69473	0.9
71.04999	3.8
76.02232	0.6
77.03925	0.6
79.05496	21.8
81.03442	0.8
81.07060	81.5
82.07368	0.5
83.04976	5.4
83.08623	3.8
85.06547	7.3
91.04911	0.7
91.05488	24.0
93.07050	35.4
95.04966	4.2
95.08611	76.5
96.08971	0.5
97.06537	12.9
97.10178	0.7
99.07487	0.7
99.08099	8.9
103.05437	1.0
105.03400	0.6
105.04577	0.5
105.07038	32.4
107.08601	16.5
109.06511	5.6
109.10165	8.5
111.08107	4.0
113.09654	0.7
117.07056	2.3
119.04943	1.1
119.08585	47.7
120.08866	0.5
121.10147	15.6
123.04440	0.7
123.08083	8.5
123.11717	1.0
128.88622	0.4
131.08598	0.8
133.06516	0.6
133.10138	29.3
135.11700	33.5
137.05971	0.6
137.09619	4.7
137.13255	2.5
147.04431	1.0
151.11211	1.6
151.14836	1.6
159.11702	0.7
161.13263	86.5
162.09149	0.6
162.13643	1.3
164.73779	0.5
179.03413	2.9
179.06454	1.0
179.14317	100.0
180.14694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03956	3.1
55.01859	3.6
55.05516	31.8
57.03447	11.5
57.07065	5.4
59.04998	2.1
67.05508	60.5
69.03429	4.1
69.07072	36.4
69.48936	14.4
71.04980	9.7
77.61570	1.7
79.05500	32.5
79.56297	1.6
81.03442	3.6
81.07063	80.7
82.69724	1.7
83.04973	8.6
83.08641	8.5
85.06540	2.7
91.05478	14.9
91.83000	1.7
93.07053	27.0
95.04983	15.5
95.08615	100.0
97.06538	2.0
98.12344	2.0
102.72640	1.7
105.07049	21.9
107.08603	28.6
109.06526	19.6
109.10168	40.3
111.08078	5.4
113.77531	2.2
119.08591	31.0
121.10131	12.1
123.08082	30.6
123.11751	4.5
133.10129	11.0
135.11671	4.9
137.09637	20.2
137.13248	3.8
147.04530	1.8
151.14821	11.1
161.13257	20.5
161.14494	2.8
164.27477	2.1
173.09406	1.8
179.06384	2.0
179.12752	3.2
179.14320	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	1.9
55.05515	19.4
57.03416	5.2
57.07062	3.1
65.03930	2.0
67.05508	93.1
69.03432	8.1
69.07068	15.1
69.40456	11.0
71.04974	6.2
77.57352	1.3
79.05491	20.8
81.03431	2.8
81.07063	62.4
83.04975	3.3
83.08601	3.9
85.10163	2.7
91.05497	12.4
93.07047	24.4
95.04953	13.8
95.08611	100.0
97.06503	1.8
98.21514	1.8
105.07037	14.8
107.08602	9.7
109.06503	7.8
109.10162	52.2
117.06985	1.5
119.08585	18.2
121.10113	3.2
123.08088	14.2
123.11743	1.7
133.10136	5.0
135.11681	4.8
137.09641	13.9
137.13248	1.6
151.14847	12.3
161.13252	6.3
179.06325	1.7
179.14320	38.2
184.78207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	2.9
53.95712	1.5
55.01858	4.6
55.05511	15.5
56.32507	1.5
57.03429	4.6
57.07068	3.4
59.04990	1.7
65.03929	3.4
67.05508	85.7
69.03431	8.2
69.07071	12.1
71.04999	8.1
71.20728	1.6
71.52793	2.6
71.81989	1.5
72.68112	1.4
79.05494	16.6
81.03403	4.4
81.06595	3.3
81.07059	54.1
83.04967	4.8
83.08607	2.8
83.98059	1.7
85.06565	2.5
91.05482	15.9
93.07049	22.2
94.47217	1.6
95.04964	13.5
95.08615	100.0
97.06525	2.0
105.07038	16.7
107.08601	9.3
109.06523	4.8
109.10161	51.4
110.01336	1.5
112.07594	1.9
117.06992	2.0
119.04942	5.4
119.08590	20.0
119.81533	1.7
121.10135	6.8
123.08092	11.9
130.15253	1.6
133.06487	1.9
133.10135	11.2
135.11687	7.1
136.02177	2.7
137.05983	2.1
137.09633	14.6
147.04453	10.0
151.11116	1.8
151.14825	12.5
161.09583	2.4
161.13269	13.9
164.04025	3.5
179.03436	8.9
179.06366	19.8
179.10683	4.0
179.14305	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
52.58393	0.2
53.03963	0.4
56.96566	0.7
67.05505	0.4
68.05035	0.3
69.03440	1.2
69.32325	0.5
69.32737	1.5
70.06596	0.3
71.04994	0.8
72.08155	0.4
75.17055	0.2
79.05489	0.8
80.05012	0.4
83.04998	0.2
84.08164	0.4
85.02924	0.6
91.05499	1.2
93.07037	2.4
94.06593	0.3
95.04984	0.4
95.08598	0.2
98.20715	0.5
98.97588	4.3
103.04808	0.3
103.05481	5.6
105.03365	0.3
105.06990	0.2
106.06551	0.9
107.04932	0.3
108.04477	2.5
111.04443	0.4
112.07602	1.9
116.98616	2.1
117.03368	0.3
120.08112	100.0
121.06518	5.0
121.08440	0.9
127.03860	0.3
131.04956	1.5
134.06035	1.1
134.09630	0.5
134.99666	0.9
135.04440	0.8
135.08029	0.3
137.00783	0.2
137.05937	0.3
138.09160	1.0
139.03908	0.5
145.02782	0.4
152.07062	1.7
153.05464	0.5
162.05475	1.5
162.09137	4.3
163.03912	1.6
163.07545	1.2
173.44858	0.2
180.03778	0.4
180.06511	1.4
180.10201	4.8
180.13799	0.4
181.05032	0.5
181.08621	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03949	0.4
53.22894	0.4
56.96569	3.5
57.07074	1.3
69.03436	0.5
69.07055	0.4
70.64371	0.8
70.64742	0.8
71.95260	1.6
76.07120	0.4
78.01829	0.5
79.05501	3.2
81.07071	0.7
83.04977	2.0
89.03922	12.1
91.05484	2.5
91.52615	0.3
93.07048	1.2
95.04974	1.4
95.08615	0.6
97.06532	1.1
98.97590	68.2
99.68133	0.4
105.07043	0.5
107.04966	4.8
107.08579	0.7
111.04460	0.9
116.98630	36.5
117.03386	15.3
117.04230	0.5
119.04922	0.5
121.06539	0.6
121.10142	1.5
123.08148	0.5
125.05998	3.5
134.99667	12.4
135.04427	29.7
135.08063	0.6
135.11699	0.6
136.04781	0.5
139.03908	1.5
140.00218	3.2
145.02858	19.4
145.03874	0.8
145.10086	0.8
148.05208	0.9
149.05986	0.6
153.00749	0.9
158.01291	2.4
163.03912	100.0
163.11168	3.7
164.04276	1.0
181.04991	2.1
181.06297	0.6
181.08572	2.8
181.09979	0.5
181.10739	0.3
181.12148	2.1
182.07971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03947	0.6
56.96567	1.4
57.03429	0.4
57.07064	0.4
65.03936	0.5
66.20600	0.3
67.05504	0.6
69.26335	2.0
69.26735	0.7
71.55061	0.3
72.22494	0.3
79.05499	3.0
79.28950	0.3
81.07053	0.7
83.04996	0.6
84.78835	0.3
89.03925	12.8
91.05482	1.2
93.03388	0.3
93.07043	1.5
95.04961	0.7
95.08616	0.4
97.06547	0.4
98.97591	20.1
107.04964	5.1
107.08601	1.0
108.90916	0.3
109.06501	0.8
111.04431	0.9
116.98630	9.5
117.03390	17.4
119.04960	0.3
121.10141	2.0
125.05988	1.0
134.99672	2.3
135.04427	29.9
135.11679	0.8
139.03973	0.6
140.00215	1.2
145.02861	20.0
145.10214	0.3
146.03178	0.3
158.01207	0.7
163.03917	100.0
163.11145	2.1
164.04243	1.1
181.04948	1.0
181.08560	0.5
181.12238	1.6
186.05435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03940	0.3
53.46235	0.2
63.02370	0.4
69.70364	1.6
71.04532	0.3
78.40616	0.3
78.45743	0.3
79.05499	2.5
81.09555	0.3
89.03920	12.8
91.05468	1.0
93.03417	0.5
93.26183	0.3
95.04977	0.4
98.21421	0.4
98.97598	1.6
99.00284	0.2
107.04299	0.4
107.04957	4.1
111.04426	0.5
116.98614	0.6
117.03386	18.7
120.46642	0.2
121.85738	0.3
135.04419	31.1
139.03871	0.4
145.02853	21.6
145.03860	0.8
163.03908	100.0
164.04231	1.1
181.04950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03949	0.7
54.46370	0.2
55.01867	0.3
55.05523	0.3
56.96568	1.5
57.07088	0.3
65.03943	0.7
66.04723	0.3
67.05499	0.9
68.99792	0.5
69.03439	0.2
69.07064	0.3
70.34989	0.7
71.95264	0.5
77.03954	0.3
78.04717	1.6
79.05498	2.3
80.06282	0.3
81.03436	0.8
81.07065	0.8
83.05005	0.5
83.08627	0.3
89.03913	1.1
90.04717	0.8
91.05486	4.9
92.02660	0.3
92.06274	0.7
93.03424	0.4
93.07059	1.1
94.04206	0.3
95.04971	2.6
95.08622	0.5
96.66241	0.2
97.02905	0.4
97.06543	0.4
98.97591	20.3
102.00260	0.2
105.03404	0.8
105.04533	0.4
105.07050	0.4
106.04173	1.4
107.04957	3.0
107.08617	1.1
108.05753	0.9
109.06512	2.3
110.07325	0.5
110.55920	0.2
111.04475	0.5
116.98627	10.1
117.03338	0.4
118.04198	0.6
119.04955	0.5
120.02093	0.3
120.05717	1.0
121.02885	0.7
121.06514	1.4
121.10143	1.1
122.03670	0.9
123.04439	3.8
123.08064	0.7
125.05993	0.7
134.03596	0.2
134.99652	3.1
135.04410	2.6
135.08090	0.4
135.11710	0.6
136.05202	2.9
137.05980	9.9
138.03117	0.3
138.06766	4.3
139.03914	0.7
140.00166	0.9
141.48282	0.2
145.02870	0.5
145.10143	0.3
148.05199	34.2
149.05920	0.6
151.03923	4.6
153.09050	0.3
154.30707	0.2
158.01294	0.9
163.03923	3.6
163.07536	0.3
163.11153	1.1
165.05502	1.7
166.06271	5.9
167.03423	0.3
181.08600	100.0
182.09007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Jasmololone
Peak:m/z	Relative Intensity
51.74171	2.3
53.03937	2.1
55.01865	2.3
57.07083	29.8
67.21954	2.1
69.03421	2.6
69.07079	4.6
69.75444	2.4
69.75732	12.5
79.05490	9.2
79.62292	1.8
81.03429	8.1
81.07076	4.5
83.04987	52.6
91.05476	2.6
93.07061	5.3
95.04982	20.5
95.08620	2.5
95.15768	2.6
97.06541	27.5
97.17493	2.3
105.07021	3.9
106.25153	2.3
107.04996	4.1
107.08592	10.7
116.98643	2.4
117.07033	2.2
121.06515	2.5
121.10135	14.0
123.08053	4.4
125.06004	95.4
130.07742	2.4
135.11688	2.8
138.06580	2.3
145.10144	7.6
154.08624	2.2
156.26567	2.4
163.04005	2.5
163.11192	100.0
181.06006	4.0
181.08566	3.2
181.10776	1.7
181.12244	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.31569	1.0
53.78547	1.0
55.05506	1.6
56.96571	1.3
57.07082	33.9
58.07389	1.8
58.91721	1.1
59.04996	5.1
67.05494	1.2
69.07059	3.9
69.30529	3.7
69.30943	5.9
78.69004	1.0
79.05496	10.1
81.03431	6.9
81.07077	5.6
81.64117	1.0
83.04991	56.8
85.06572	1.9
91.05491	2.7
93.07043	5.7
95.04980	19.3
97.05923	2.1
97.06541	34.1
98.97590	19.4
105.07027	4.2
107.04945	3.2
107.08607	8.1
116.98659	10.7
117.07026	2.0
119.08621	3.6
121.06511	3.8
121.10163	11.3
125.06007	93.9
130.07785	2.7
134.99690	2.7
135.11723	6.4
140.00215	1.7
145.10158	9.2
158.01256	1.4
163.03940	1.4
163.11200	100.0
173.01620	1.3
181.12254	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.74096	0.4
55.01863	0.5
55.05500	1.4
56.96565	0.6
57.07065	1.6
59.05002	2.2
67.05480	1.4
69.03429	1.7
69.07069	3.2
73.02902	0.6
79.05502	4.1
81.07065	4.1
83.04968	0.9
83.08605	0.7
91.05473	1.9
93.06487	0.7
93.07052	12.7
93.07635	0.7
95.04939	0.6
95.08617	11.2
97.06522	2.2
98.21522	1.0
98.97586	12.1
100.77583	0.4
103.16085	0.4
105.07037	2.6
107.08593	22.5
109.06500	0.7
109.10139	2.1
111.04467	1.1
111.08072	1.0
113.06001	0.5
116.98618	5.6
117.07011	0.8
119.08580	3.1
121.06509	3.0
121.10146	13.5
123.08077	3.2
125.06007	2.6
128.13234	0.5
134.99658	0.9
135.11696	30.4
137.13245	1.4
139.07527	5.0
140.00209	0.7
145.10136	9.0
153.12752	1.5
163.11191	21.3
181.12241	100.0
182.12541	0.8
189.18947	0.4
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	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03941	1.3
53.15614	1.1
55.01850	1.6
55.05503	4.2
56.96559	1.2
57.07079	27.8
59.04998	3.5
67.05495	1.7
69.03424	1.6
69.07047	4.7
75.10411	1.0
79.05491	8.8
81.03386	6.2
81.07031	6.2
83.04984	53.5
83.08620	6.4
91.05463	3.2
93.07040	7.7
95.04971	18.1
95.08582	1.8
97.02922	1.2
97.05923	2.1
97.06535	33.0
98.97588	31.3
105.07013	5.9
107.04935	3.4
107.08573	7.4
109.06519	1.1
109.10116	1.2
116.98631	10.4
117.06995	2.4
119.08583	3.2
121.06516	2.3
121.10148	13.1
123.08047	2.0
125.05996	96.5
130.07759	1.8
134.99663	3.3
135.04411	2.0
135.11696	7.5
139.03888	1.9
145.10144	9.0
149.38922	1.2
153.93874	1.1
163.03928	4.9
163.11186	100.0
181.04953	1.5
181.12230	44.9
199.68681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.02576	1.3
55.01883	1.8
55.05502	2.8
56.96542	1.5
57.07080	32.4
59.05001	1.9
59.63907	1.3
59.66104	1.1
69.03412	1.2
69.07063	4.4
69.15377	12.9
69.24703	1.2
71.54493	1.2
79.05509	7.4
79.05899	1.3
81.03426	6.7
81.07051	5.1
83.04986	59.7
91.05512	2.4
93.07044	5.0
95.04975	20.8
97.05932	1.9
97.06542	35.6
98.21520	2.7
98.97597	25.7
105.07024	3.5
105.17247	1.2
107.04970	3.1
107.08598	8.1
116.98625	11.8
117.07062	1.5
119.08554	3.5
121.06510	3.5
121.10151	10.6
125.06005	98.9
130.07762	1.5
134.99664	3.0
135.11700	4.4
140.00183	3.5
145.10117	9.0
150.21745	1.2
163.11194	100.0
181.12238	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	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.32236	0.4
56.05025	1.2
65.03960	0.5
68.86608	0.4
70.41569	0.8
70.41895	0.5
80.41051	0.4
81.03400	0.4
91.05489	26.5
93.06995	0.7
95.04974	11.2
95.46884	0.4
97.02882	0.4
98.21478	0.4
103.05492	1.5
107.04963	0.9
108.08109	0.6
109.06514	1.2
118.03690	0.5
118.06546	1.5
119.04951	35.4
121.06554	1.2
123.04438	48.4
128.05901	0.4
131.01898	1.0
131.56209	0.4
135.57010	0.7
136.07587	100.0
137.06024	0.7
137.07938	0.6
146.03232	0.5
147.04413	16.6
154.03458	0.6
154.08710	0.8
156.92508	0.4
164.04405	2.8
164.05663	0.7
164.07086	1.3
165.05486	32.3
173.03023	0.4
177.02455	0.6
182.03046	0.7
182.05807	3.0
182.08127	10.0
182.11739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.01970	0.4
50.35487	0.4
50.55050	0.4
53.03942	0.6
53.45680	0.5
65.15050	0.4
66.36472	0.4
67.17668	0.4
68.79858	0.3
70.72308	0.9
70.72639	0.7
85.02885	0.4
91.05482	26.5
95.04374	0.6
95.04977	10.7
97.02937	0.4
98.21468	0.5
103.05447	0.6
107.04939	1.2
108.08112	1.0
109.06496	1.1
118.06518	1.0
119.04944	32.6
121.06479	0.6
123.04428	45.7
131.01932	0.8
136.07579	100.0
137.07857	0.5
147.04408	14.3
154.03484	0.5
164.05714	1.2
164.07088	1.2
165.05475	33.3
177.02597	0.6
182.08133	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	182.1542
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01871	0.6
55.05513	5.3
56.96560	0.5
57.03421	1.1
57.07076	2.2
58.02966	25.2
58.77045	0.4
67.05511	13.4
69.03448	0.5
69.07073	47.9
70.06599	2.1
71.14416	1.1
72.08171	0.5
74.06065	1.4
79.05486	3.8
81.07064	13.7
82.06600	0.6
83.04984	1.2
83.08627	4.5
84.08154	5.7
86.06057	1.5
90.20273	0.4
91.05487	3.7
93.07053	6.7
94.06608	0.5
94.46326	0.5
95.04981	1.6
95.08612	4.6
97.06544	2.6
98.06055	1.7
98.09698	1.9
98.97585	3.5
99.97931	1.4
100.07622	4.9
105.07042	10.4
107.08601	13.2
108.08896	0.4
109.06512	1.6
109.10165	36.0
112.07632	2.5
114.09172	13.7
116.98618	1.1
119.08573	0.7
121.10143	1.4
123.08096	0.6
123.11721	6.5
124.11230	0.6
126.09167	11.7
126.12794	1.2
133.10143	26.1
135.11705	14.9
136.07568	0.8
137.13248	0.6
138.12790	14.9
140.10684	1.4
140.14331	1.0
147.11720	3.9
151.11198	9.5
153.12747	10.6
154.08673	0.9
154.15877	1.1
163.17227	0.5
164.14412	2.4
165.12759	1.9
182.15417	100.0
183.15771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00644	0.2
60.11896	0.1
70.15807	0.1
70.48312	0.3
70.48632	0.1
78.48769	0.1
80.21693	0.1
82.01464	0.2
82.99846	5.8
85.26189	0.1
98.21513	0.1
100.02510	0.2
101.00890	51.0
101.95051	0.7
102.00951	0.8
109.44847	0.1
111.00486	0.4
119.01932	100.0
119.96132	0.3
119.98806	0.2
120.01978	1.3
121.02356	0.4
124.02461	4.3
125.02592	0.2
126.98898	0.2
133.03490	0.2
137.02968	16.1
138.03023	0.2
142.03513	26.9
143.01895	1.0
143.03622	1.3
160.04576	4.2
161.02972	14.7
162.03169	0.2
165.05115	0.4
179.04022	13.9
180.04153	0.1
183.35005	0.2
184.04579	0.5
184.09833	0.1
202.05617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91737	0.4
57.03426	0.8
61.02916	0.5
65.21799	0.4
70.06570	0.6
70.97758	0.5
71.44953	0.5
71.45295	0.5
72.12471	0.4
73.02917	0.5
76.24568	0.4
81.03254	0.4
81.61103	0.5
82.01440	0.6
82.99847	5.8
84.01213	0.6
85.02884	0.7
86.09710	1.2
97.01426	0.5
97.02899	1.1
101.00887	57.9
102.00994	1.0
102.02256	1.0
107.04983	0.5
113.00901	0.6
115.00630	1.3
117.04030	0.6
119.01927	100.0
120.02029	1.5
124.02454	5.0
125.00020	1.1
132.01982	0.5
133.01622	2.8
137.02956	15.3
138.05470	0.7
142.03508	26.5
143.01894	3.0
143.03633	1.0
144.02130	0.8
151.02660	0.6
156.03288	2.7
160.04576	3.7
161.02966	18.5
161.04335	1.0
166.05048	1.1
167.07085	2.2
173.78926	0.6
174.04245	0.5
179.02530	0.6
179.04004	13.8
184.02881	0.8
184.04550	1.3
184.07385	1.6
184.09660	0.9
202.03816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0606
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
50.41525	0.5
55.05529	1.1
56.96561	1.1
57.03445	0.9
59.99799	0.6
65.03948	1.8
67.01856	0.9
67.05499	1.6
68.05041	2.6
68.99818	1.0
69.03450	0.8
69.86654	0.9
69.87051	2.5
70.06606	2.1
81.07027	0.8
82.06569	1.4
82.99456	0.5
82.99870	2.5
83.04991	0.7
84.04507	3.5
84.08144	0.7
85.02910	0.7
86.09713	4.6
92.05009	1.2
93.03403	1.8
95.04999	1.4
96.04494	4.0
96.08137	1.3
98.06037	0.7
98.97614	0.8
98.98470	1.0
101.00887	33.3
101.95040	9.0
107.04965	2.2
110.06064	5.4
110.09681	0.7
114.05576	1.5
119.01929	100.0
119.96098	4.3
120.02051	1.1
120.04504	3.0
121.02893	11.0
122.06053	0.6
124.02491	2.7
124.03941	2.2
124.04771	0.9
124.07595	3.9
125.00012	2.5
125.02436	1.0
130.05017	0.9
137.02974	24.7
137.97148	1.0
138.02802	0.8
138.05504	10.4
138.09093	2.7
139.03905	2.0
142.03511	24.0
142.04997	7.1
142.08629	1.8
143.01895	1.0
143.03658	0.9
148.03935	2.0
149.02354	40.8
156.03806	0.8
156.06541	0.8
160.04602	4.8
160.53815	1.0
160.98724	0.8
161.02959	14.6
161.04225	0.7
166.05013	69.7
167.03386	3.5
169.54330	1.0
179.04028	16.4
179.05598	1.1
184.06055	56.2
184.07329	2.8
184.09622	7.6
184.13309	1.4
184.16925	0.8
185.04485	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	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.91912	0.8
56.05019	1.2
56.23732	0.6
57.85999	0.6
58.06578	0.8
60.07882	1.0
60.08167	14.6
69.63733	1.8
69.64144	2.2
71.07384	8.1
74.63581	0.6
86.09710	73.2
98.21579	1.2
98.98460	12.2
101.95039	10.7
104.10731	2.7
119.96082	3.5
124.07581	1.1
125.00013	57.5
137.97086	1.3
138.09122	0.8
142.97630	1.2
143.01047	0.9
147.88632	0.7
160.98682	1.0
166.04990	1.0
167.03404	0.9
184.07356	100.0
185.04471	2.2
185.07726	0.7
195.21011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05011	0.9
60.07890	1.0
60.08168	14.7
65.55333	0.7
70.01808	1.6
70.02197	2.0
70.06586	1.0
71.07376	7.7
71.95242	1.3
86.09708	80.1
96.08833	0.9
98.06044	0.9
98.98473	11.5
101.95038	55.4
101.97231	1.0
102.96891	0.9
104.10728	3.2
106.03717	1.0
110.06045	1.2
119.01890	1.5
119.96069	19.5
119.96867	1.6
120.02086	0.9
123.32844	0.8
124.07594	0.9
125.00008	66.8
136.47575	1.0
137.97115	12.2
138.05493	1.1
138.09091	2.4
139.04927	0.7
142.97649	4.4
147.78384	0.7
149.02298	1.6
155.98163	2.9
160.98701	7.2
166.04938	2.3
166.08641	1.4
167.03418	1.9
178.99797	2.1
184.00342	1.4
184.07352	100.0
184.09636	4.3
184.16908	0.8
185.04478	4.4
203.41000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.26488	0.6
56.05029	1.6
58.06581	0.8
59.56188	0.6
59.77212	0.6
60.07880	1.0
60.08167	11.9
62.89750	0.7
71.07378	6.7
74.02052	0.7
86.09713	73.2
94.63205	0.6
98.98475	11.4
101.95033	9.8
103.53442	0.7
104.10754	2.5
112.48373	0.7
119.96052	2.2
123.90230	0.7
125.00011	58.4
160.98740	0.9
184.07353	100.0
185.04443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11953	34.2
52.92838	30.3
64.73875	30.9
66.07227	32.0
70.15567	34.2
70.59256	100.0
86.01185	29.9
129.95981	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00034	100.0
70.00428	86.7
73.56712	41.1
76.35902	38.7
87.71716	45.7
89.46831	38.3
99.21800	45.1
117.83987	43.9
117.93179	40.2
151.93420	42.2
167.02206	88.8
173.32097	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	185.0441
Annotation	Fomecin A
Peak:m/z	Relative Intensity
65.03945	3.5
68.99805	1.0
69.03426	0.6
70.69006	1.1
83.04966	0.5
83.73052	0.4
93.03410	2.5
95.01311	0.6
97.02900	0.3
110.55273	0.3
111.04442	2.9
121.02042	0.3
121.02872	12.7
125.02361	1.5
136.01546	2.8
139.03909	11.5
143.03389	2.0
149.02351	21.4
157.10107	0.6
167.03410	53.5
170.11046	0.5
185.04466	100.0
185.13226	1.2
186.04739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.2
67.01881	0.6
69.03428	0.9
69.37858	0.6
69.45084	2.2
69.45508	1.7
76.08169	0.5
76.19257	0.5
78.35857	0.5
83.05001	0.7
88.07640	0.5
91.13223	0.4
93.03428	3.0
97.02928	0.8
111.04442	2.5
112.01509	0.6
121.02872	13.6
122.50941	0.6
125.02351	0.9
128.58873	0.5
136.01532	3.0
139.03917	11.1
141.37918	0.6
142.20610	0.5
143.03423	3.0
149.02353	22.3
152.69000	0.5
157.06497	0.8
167.03416	56.3
185.04471	100.0
186.04871	0.7
189.55316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.49771	0.4
65.03934	3.4
67.32070	0.4
68.99804	1.4
69.03417	1.4
69.51585	0.4
70.23170	1.1
78.79285	0.4
85.37479	0.4
86.09698	0.6
93.03407	3.2
95.01331	0.6
97.02854	1.3
107.08556	0.5
111.04449	2.8
121.02865	12.5
125.02333	1.3
125.05997	0.7
136.01567	2.3
139.03900	12.4
143.03391	2.7
149.02342	21.0
152.23196	0.4
153.05502	0.7
167.03401	54.4
168.03772	0.6
171.02930	1.2
185.04457	100.0
186.04886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0447
Annotation	Fomecin A
Peak:m/z	Relative Intensity
55.60255	0.4
55.91522	0.3
65.03955	4.3
68.99779	0.4
69.03426	0.7
69.74039	0.3
71.01320	0.4
71.43749	0.7
82.78915	0.3
86.14248	0.4
93.03440	2.3
95.01334	0.6
97.02921	0.5
111.04473	2.3
121.02885	12.0
125.02378	1.4
136.01561	3.0
139.03929	10.6
143.03403	2.1
149.02361	21.9
167.03423	53.1
168.03787	0.4
174.94769	0.3
185.04478	100.0
186.04770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0445
Annotation	Fomecin A
Peak:m/z	Relative Intensity
52.01512	0.3
55.11652	0.3
58.01904	0.3
65.03944	4.7
68.99815	1.0
69.03433	1.3
70.10679	1.0
73.91399	0.3
83.05042	0.6
83.28358	0.3
85.97057	0.3
93.03416	3.9
95.01331	0.8
97.02922	0.6
108.05408	0.3
111.04477	3.0
113.80563	0.3
121.02874	15.8
125.02364	1.3
136.01555	3.1
137.92953	0.3
139.03917	12.8
143.03375	2.2
148.41455	0.3
149.02356	23.6
167.03415	53.0
185.04466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0445
Annotation	Fomecin A
Peak:m/z	Relative Intensity
59.81207	0.5
65.03937	3.6
68.99809	0.7
69.03448	0.5
70.21546	0.9
70.21920	1.2
75.20720	0.5
86.86613	0.5
93.03420	3.7
95.01308	0.9
97.02870	0.6
111.04454	2.3
121.02881	11.4
125.02364	1.2
135.90251	0.5
136.01576	2.3
139.03911	11.4
143.03407	2.6
149.01385	0.3
149.02348	20.7
167.03412	54.0
185.04468	100.0
191.98627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0446
Annotation	Fomecin A
Peak:m/z	Relative Intensity
51.56623	0.4
54.12431	0.4
59.85566	0.4
60.26146	0.4
65.03936	3.2
68.99784	1.0
69.03432	0.9
69.49175	2.9
93.03400	2.5
94.71599	0.5
95.01317	0.8
97.02858	1.0
109.27314	0.4
111.04443	2.4
111.08045	0.7
121.02879	11.6
125.02372	1.5
136.01552	1.8
137.18086	0.4
139.03908	11.6
143.03400	1.9
149.02348	20.4
167.03410	51.5
168.03728	0.5
185.04462	100.0
186.04781	0.7
204.42905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
56.05049	1.6
56.96568	7.2
57.03433	1.1
57.04568	0.8
60.04510	1.3
60.98713	1.0
67.05501	2.7
68.99802	0.8
69.07066	1.6
69.91483	1.4
69.91898	2.4
70.02960	7.0
70.06596	8.5
71.04983	0.8
72.93799	1.3
73.07682	1.3
78.28033	0.8
81.07042	2.0
83.08617	0.8
84.04510	6.1
84.08153	7.7
85.02917	11.6
86.09710	2.0
89.03917	1.9
91.05454	1.0
94.06583	1.1
95.04965	0.7
95.08618	1.7
97.02892	1.2
97.06519	1.0
98.06049	1.7
98.07186	6.1
98.20866	1.2
98.97583	2.0
99.00980	1.3
99.05557	1.1
103.00661	1.0
108.04457	1.1
109.10149	1.4
110.07160	0.8
112.07623	6.4
114.04063	0.8
114.04832	1.1
114.05547	12.0
116.07034	1.0
117.03381	2.4
121.00793	7.4
121.01685	3.0
122.06004	1.1
123.04442	6.4
123.97366	0.8
126.05546	9.3
126.06645	37.7
126.09158	1.4
126.10009	0.9
126.12790	2.2
127.03930	1.9
127.06151	1.2
128.07121	1.2
130.06520	1.0
131.04959	1.2
137.01768	1.0
139.01828	5.0
139.02824	1.4
139.03908	3.3
140.07056	11.2
144.07692	100.0
144.52898	1.0
145.02859	3.5
151.03923	7.6
152.04211	0.9
152.07101	0.8
156.03798	0.7
158.06053	1.4
158.08145	1.9
159.66548	0.7
160.02745	0.9
163.00632	0.8
163.01823	17.6
165.02058	0.9
165.99417	0.9
168.03726	1.2
168.06589	1.8
168.08827	3.3
168.10089	0.8
169.07225	24.0
174.02556	3.5
179.00168	2.4
181.02855	20.3
183.03130	2.5
184.00450	1.0
186.05927	1.1
186.07652	7.5
186.09871	39.0
186.11296	4.5
186.14909	4.3
186.18529	6.0
187.03961	2.6
197.01253	6.7
203.48087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25382	0.4
70.68732	1.1
70.69071	0.4
91.05487	2.4
100.26150	0.4
111.82014	0.4
115.05463	3.7
115.07975	0.5
117.05766	1.0
117.07038	3.4
118.06557	52.0
119.06889	0.6
132.08035	0.4
142.06532	4.4
143.07335	8.5
144.04445	1.2
144.08101	22.0
146.06026	100.0
147.06349	0.9
155.06140	0.7
160.07607	1.0
170.06032	8.2
188.07092	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.07307	0.4
70.68825	1.3
91.05482	2.9
103.05455	0.6
105.79784	0.4
115.05457	4.4
116.06245	0.5
117.05781	0.8
117.07018	3.9
118.06549	59.7
121.70543	0.4
123.41039	0.5
132.08141	0.8
141.83179	0.4
142.06532	5.0
143.07303	10.9
143.08415	0.7
144.04483	0.8
144.08095	23.9
146.06017	100.0
147.06320	0.8
155.06075	1.0
156.97273	0.6
160.07559	1.0
170.06009	8.5
188.07077	29.9
189.07452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.06598	0.2
66.34730	0.2
67.45141	0.2
70.96097	0.6
91.05483	2.9
103.05454	0.3
115.05461	3.7
117.05746	0.9
117.07026	3.1
118.06556	56.6
119.06900	0.4
119.89909	0.2
128.04947	0.3
132.08102	0.7
136.14754	0.2
142.06541	5.1
143.07323	9.4
144.04469	1.0
144.08101	22.9
145.06483	0.4
146.06024	100.0
147.06355	0.7
155.06078	0.8
160.07605	0.7
170.06038	8.2
188.07088	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.03963	0.4
55.05518	1.2
56.05038	1.4
57.03417	1.1
59.05006	2.0
60.04528	1.3
61.02934	8.8
69.03445	0.6
70.02952	2.2
71.05000	1.3
71.27518	0.4
71.27861	0.5
75.04508	0.7
75.58586	0.4
82.06577	2.0
83.04996	3.5
84.04513	100.0
84.08144	0.4
85.02913	18.9
86.06094	0.9
86.09705	0.4
87.04475	6.5
96.04514	0.4
100.07629	1.3
105.07067	0.4
110.06063	2.8
111.04459	0.9
115.75294	0.4
117.11087	0.4
118.06514	0.8
126.05525	4.3
128.07085	5.4
129.05446	0.8
142.08664	1.0
146.06023	1.5
146.08118	1.2
147.06558	0.6
152.35611	0.4
160.09694	0.5
170.08170	1.0
188.07448	0.6
188.09198	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	189.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	20.3
55.05516	1.3
56.05030	1.7
57.03440	25.0
57.04578	1.2
59.04997	4.4
60.07881	1.9
60.08166	24.5
61.02929	1.6
67.05504	3.0
68.99796	3.0
69.03441	1.4
69.63147	5.2
69.68518	0.9
70.04247	0.9
70.06596	6.4
71.01357	14.6
71.04992	3.4
72.08164	13.0
73.02927	8.1
74.07199	2.1
75.04479	0.9
79.90398	1.0
83.01342	4.0
84.04506	8.2
84.08147	100.0
85.02915	7.4
85.06537	1.7
86.09715	3.5
87.04476	17.5
89.02388	3.6
93.27711	0.8
94.93019	2.2
95.01333	2.7
97.02823	1.0
98.06055	1.2
98.21464	1.9
99.00820	1.3
101.01725	2.0
101.02390	35.9
103.03937	3.6
105.06986	1.0
111.00813	6.7
113.02349	2.2
115.03939	35.6
115.08685	1.7
116.07087	2.7
117.01894	0.9
118.08623	1.6
119.01979	2.2
126.05508	1.3
126.09171	2.2
127.00278	3.3
127.03922	1.1
129.01848	13.3
129.10280	1.3
130.05019	8.7
130.08647	44.2
131.03404	1.9
137.03006	1.1
139.00293	5.9
141.01776	1.5
143.03442	3.5
143.08765	1.9
143.11830	1.6
144.06592	1.5
144.11380	1.7
144.13852	2.2
154.08582	1.0
156.09387	1.2
157.01337	35.0
159.02957	2.8
161.02948	1.7
161.09657	1.0
171.02931	2.6
172.06050	2.0
175.02388	2.3
189.09282	1.2
189.12561	1.6
189.13474	3.1
189.15987	24.7
189.17671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
59.04991	3.8
62.56197	1.5
70.29806	2.6
71.52467	1.6
77.76028	1.6
83.05002	2.8
86.95346	1.9
87.04517	1.9
91.05486	59.4
91.98927	1.8
95.04958	2.1
98.25296	2.1
103.05460	3.2
105.07028	14.6
106.90519	2.8
107.08591	2.6
109.06527	2.1
115.05462	3.1
116.06249	8.9
117.07016	6.0
119.04948	28.7
119.08590	57.1
128.06216	4.3
129.07031	16.5
131.08575	100.0
133.06506	2.0
133.10141	6.6
141.06972	4.0
142.07753	3.2
143.08562	15.7
144.06468	2.0
145.10138	14.6
147.08055	64.3
147.11713	6.1
149.02342	2.5
156.09361	42.8
159.11685	7.3
171.11699	66.6
174.10397	3.9
189.09229	2.5
189.12688	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.05506	0.9
55.70962	0.5
57.07085	1.0
59.05014	2.3
67.05500	0.5
69.03447	0.6
69.07082	0.6
69.62886	2.1
69.63293	0.9
69.76086	0.4
73.25441	0.5
73.59637	0.4
79.05513	0.9
79.42394	0.5
81.03411	1.3
81.07064	1.1
84.08139	1.2
87.62492	0.6
91.05486	56.3
93.07066	1.1
95.01351	0.5
95.04984	1.0
95.08676	0.8
98.21478	1.2
103.05472	2.2
105.07043	8.0
107.08610	1.8
109.06522	0.6
115.05456	2.9
116.06250	8.6
117.07021	4.9
119.04984	0.9
119.08585	51.4
121.10136	0.6
128.06242	4.1
129.07013	15.9
130.06519	1.4
130.07765	1.4
130.08641	0.8
131.08574	100.0
132.08902	0.7
133.06461	1.4
133.10158	2.9
141.07011	1.9
142.07825	0.9
143.08569	7.6
144.08067	1.2
145.06508	2.2
145.10129	8.2
146.10841	0.5
147.08052	60.0
147.11682	7.5
155.08557	0.7
156.09358	21.7
159.08055	1.6
159.11690	3.3
160.08803	1.4
161.06000	0.8
161.09587	1.8
161.13268	2.2
171.11694	30.2
172.11958	0.5
174.06699	1.7
174.10408	2.3
189.05449	2.2
189.09149	3.7
189.12727	34.4
189.16322	1.2
203.17682	0.6
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
58.83546	0.7
61.24265	0.9
62.79595	0.7
64.22564	0.7
69.03088	1.0
69.03423	3.8
70.24943	1.6
70.25288	1.5
73.09045	0.8
79.05477	1.2
86.03658	1.0
90.94797	0.8
91.05480	9.9
93.07068	0.7
102.62370	0.7
105.07026	9.2
107.08600	1.1
109.06524	1.2
115.05529	0.8
116.06235	1.9
117.07039	3.6
117.84389	0.8
119.08582	20.3
121.10086	0.8
123.62784	0.7
128.06238	2.6
129.07014	3.4
130.07771	4.1
131.08569	21.4
133.06500	2.3
133.10135	4.9
141.06967	7.0
143.08582	5.5
144.09360	1.8
145.06403	0.9
145.10135	16.2
146.10942	0.9
147.08046	10.8
147.11693	13.1
155.08534	3.0
156.09351	47.1
159.08058	3.3
159.11693	12.2
161.09662	1.5
161.13284	1.3
168.77408	1.1
171.11694	65.1
174.10420	7.4
189.12747	100.0
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
51.42847	1.0
53.03951	0.9
54.84713	0.8
54.96741	1.0
55.05479	1.0
59.04963	0.8
62.70222	0.8
64.26544	1.0
69.03439	4.2
71.04975	2.5
71.15437	1.7
79.05501	1.1
91.05477	10.0
93.07088	1.0
105.06393	1.2
105.07040	11.2
107.08583	1.6
115.05439	1.2
117.07014	3.9
119.08586	27.8
128.06195	3.0
129.07013	2.1
130.07796	6.2
131.08578	11.7
133.06476	4.4
133.10133	4.5
141.07016	6.6
142.07727	1.9
143.08554	8.5
144.09335	1.3
145.10129	38.5
146.10957	0.9
147.08034	8.5
147.11699	17.2
155.08548	2.2
156.09358	48.6
159.08020	3.6
159.11708	11.1
160.08806	1.7
161.09608	2.7
161.13242	2.9
171.11694	56.3
172.11917	0.9
174.10362	6.6
189.05469	1.5
189.12750	100.0
190.13069	1.1
206.24545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
65.52820	1.1
69.03416	3.4
69.16362	5.4
69.16782	5.6
76.19203	1.0
77.51708	1.0
91.05486	6.1
93.26517	1.1
98.21526	2.5
105.07051	9.1
107.08579	1.2
117.06996	2.8
119.08592	16.3
128.06201	2.2
129.07028	2.7
130.07800	2.8
131.08585	7.9
133.06491	1.9
133.10158	5.5
141.06998	6.6
143.08577	3.2
144.09325	1.4
145.10127	16.9
147.08022	7.4
147.11693	16.0
155.08604	1.7
156.09358	38.5
159.08047	3.1
159.11708	12.2
160.08945	1.1
161.13283	4.7
171.11697	59.0
174.10390	7.8
185.68800	1.1
189.12746	100.0
197.65570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
59.04992	2.8
65.03941	1.0
67.05473	0.8
69.03440	0.9
69.07056	1.2
69.48663	5.9
79.05500	1.7
81.07047	1.7
83.04970	3.2
91.05490	50.6
93.07055	1.0
95.04982	6.6
99.60822	0.8
103.05415	1.5
105.07042	19.3
107.08597	6.4
109.06519	3.3
115.05439	2.7
116.06248	8.1
117.07021	7.0
119.04964	23.8
119.08595	58.1
128.06229	5.8
129.07028	18.9
130.07790	3.2
131.08582	100.0
133.06483	5.0
133.10153	3.3
141.07028	7.3
142.07799	3.2
143.08578	17.4
145.06480	4.4
145.10150	17.6
146.07271	3.3
146.10899	1.0
147.08061	69.6
147.11696	10.5
148.08644	1.4
155.08589	1.6
156.09360	45.2
157.06532	1.2
159.08038	2.7
159.11725	5.5
160.08832	3.7
161.09628	2.5
161.13252	2.4
171.11705	58.7
174.06799	3.1
174.10414	3.0
189.09172	8.0
189.12758	79.8
195.91119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45665	0.6
55.01877	4.3
55.05507	1.9
59.04995	0.9
62.26131	0.6
67.05496	1.5
69.03415	0.9
69.07056	1.9
69.40355	0.7
71.01405	0.7
71.43894	1.1
79.05482	2.0
81.03403	0.8
81.07059	3.3
83.04964	2.7
83.84568	0.6
84.08147	0.7
91.05489	12.1
93.07053	1.9
94.82611	0.7
95.04977	3.7
95.08603	1.5
105.07037	21.5
107.08576	2.7
109.06516	2.5
115.05426	1.1
116.06236	0.9
117.06995	4.0
119.04950	33.1
119.08585	37.6
121.10168	0.8
124.21423	0.7
128.06238	2.1
129.06995	8.1
130.07799	2.1
131.08575	17.1
133.06467	3.4
133.10129	9.9
141.07010	2.1
142.07806	0.8
143.08585	7.9
145.06526	1.7
145.10139	24.2
146.07277	1.4
146.10907	0.8
147.06357	0.9
147.06898	1.0
147.08044	13.4
147.11696	35.2
156.09349	18.4
157.06548	1.5
159.08099	3.7
159.11676	2.2
160.08815	1.0
161.09604	3.5
161.13255	5.0
171.11697	25.5
174.06816	4.1
174.10382	6.1
189.05426	2.8
189.09161	10.2
189.12741	100.0
189.16248	3.3
190.13113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05504	1.8
57.76923	0.7
59.05007	0.6
61.87653	0.6
63.61501	0.6
65.03923	1.1
67.05490	2.9
69.03428	6.1
69.07059	2.4
69.90672	3.2
71.04982	3.1
79.05483	2.7
81.07040	2.1
83.04993	1.9
84.08121	0.9
88.97682	0.7
91.05481	14.9
93.07030	3.4
95.04968	3.1
95.08611	0.9
97.06500	0.9
98.20810	0.7
103.05450	1.1
105.06397	1.2
105.07031	14.9
107.04946	1.7
107.08595	5.4
109.06506	1.0
116.06220	1.2
117.07003	3.1
119.04955	1.1
119.08585	34.7
121.06492	1.3
121.10132	2.4
128.06209	3.3
129.07016	4.9
130.07784	1.6
131.08575	21.7
133.06487	3.5
133.10129	15.8
135.08046	3.2
141.06966	3.2
142.07768	0.7
142.21642	0.7
143.08553	6.9
145.06500	2.8
145.10153	8.4
146.10863	2.0
147.08043	26.4
147.10513	1.2
147.11684	22.8
155.08565	1.2
156.09358	23.9
159.08063	10.4
159.11729	3.6
160.08832	4.6
161.05974	1.4
161.09627	7.7
161.11998	1.3
161.13261	19.7
171.11690	29.9
171.13808	1.2
174.10406	22.1
174.11903	1.3
187.11221	0.8
189.09227	3.1
189.12743	100.0
190.13046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.39079	0.2
55.05522	0.2
56.05030	0.2
56.18174	0.2
60.91070	0.2
70.10052	0.6
76.11506	0.2
84.08125	0.2
89.03950	0.8
94.59692	0.2
109.03956	0.2
115.05495	0.3
116.04990	2.2
118.06555	0.5
130.05019	0.5
130.06546	2.7
137.26331	0.2
144.04448	1.9
144.08083	1.4
144.14059	0.2
162.05513	100.0
163.05879	0.8
172.06078	0.3
172.07584	0.6
190.05000	47.1
191.05304	0.3
195.45145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1077
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
53.03962	0.3
55.01868	0.8
55.05497	0.9
56.05031	2.6
56.96571	0.4
57.03433	1.2
59.04989	0.3
60.04531	2.4
60.08146	1.0
61.02920	0.5
61.08487	0.4
67.05506	0.5
68.05019	0.9
69.03412	1.2
69.07066	1.1
70.02965	0.3
70.06598	2.9
71.01339	0.3
71.04967	0.4
71.51486	0.3
72.08150	0.9
73.02921	1.4
74.02425	0.4
74.06058	0.7
80.05029	2.3
81.03422	0.7
82.06560	0.5
84.04509	3.8
84.08152	4.1
85.02924	1.4
85.06563	0.4
85.08483	3.2
86.03658	0.4
86.06073	0.7
86.09733	0.7
87.04465	0.3
87.29208	0.3
88.03997	25.4
97.02888	0.9
98.06064	5.5
98.09704	14.3
98.97662	0.3
99.04458	0.5
100.02483	0.8
100.07602	0.3
101.00893	1.3
101.02350	0.4
102.00963	0.8
102.02370	0.4
102.05552	2.5
103.00655	0.4
103.02464	0.5
103.03199	0.2
103.03960	0.4
103.75756	0.3
107.04900	0.3
108.08060	0.3
109.02906	0.9
111.02953	0.3
112.02215	0.3
115.03925	0.4
116.04233	0.3
116.07064	0.3
116.10751	0.6
119.01943	1.7
119.08590	0.3
120.02033	1.7
120.03419	0.6
121.01668	0.7
126.05523	5.4
126.09187	0.4
126.12801	0.3
127.03859	0.3
128.02139	0.3
129.03958	0.6
130.02174	0.4
130.05009	5.1
130.08607	1.6
131.01926	0.5
131.08998	1.7
131.96143	0.5
137.02765	0.4
138.03229	0.3
139.02461	0.3
142.08632	0.3
144.06572	8.6
144.10207	100.0
145.03444	1.4
145.10547	0.8
146.03172	0.5
146.08127	0.3
148.06140	0.6
148.94371	0.3
153.01762	0.4
154.05005	8.1
154.12289	0.8
157.03445	0.7
158.01637	0.7
158.04086	0.4
160.54793	0.4
161.02922	0.5
161.97229	0.4
162.03078	0.6
162.05492	0.7
166.54744	0.3
167.01945	0.3
172.04669	0.4
172.06055	9.0
172.09714	0.9
172.13332	2.2
185.02946	1.9
190.05411	0.6
190.07146	4.8
190.08795	0.5
190.10786	3.3
190.12329	0.6
190.14502	0.6
190.16301	1.2
195.58861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12801	0.1
69.71909	0.3
69.72315	0.5
86.19099	0.2
91.05486	0.2
98.21410	0.3
121.08897	0.2
130.06502	0.2
132.08096	22.8
133.08875	0.7
144.08080	0.3
146.09647	7.5
147.10451	2.4
148.11229	0.7
160.11224	7.6
161.11963	0.5
162.12683	0.2
174.12817	0.8
175.13568	0.3
185.88788	0.2
188.14244	0.1
190.15913	100.0
191.16237	0.9
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
55.01870	1.2
55.05502	4.1
59.05001	1.2
66.39688	0.9
67.05506	1.7
69.03436	8.4
69.07067	4.0
69.41595	2.0
69.42014	6.6
71.04990	3.1
78.94656	0.9
79.05478	3.3
81.07057	3.1
83.04993	7.7
85.06546	2.6
91.05495	8.0
93.07072	5.3
95.04954	1.2
95.08609	3.7
97.06557	6.1
103.03938	2.1
105.06393	1.8
105.07038	20.0
107.08605	16.0
109.06508	2.7
109.10155	2.5
117.07015	2.0
119.08617	5.8
121.06507	4.4
121.10148	9.2
123.08066	6.9
129.07027	1.9
130.07768	1.1
131.08588	21.5
133.10144	100.0
135.08055	11.5
135.11690	2.6
143.08569	4.1
144.09343	1.5
145.10152	9.3
147.11682	4.3
149.09639	3.3
149.13261	6.4
158.10909	7.2
160.05049	2.1
161.09657	1.6
163.11221	1.3
163.14824	1.3
173.13283	35.6
188.15297	1.1
191.06915	1.1
191.08539	1.1
191.10625	2.8
191.14328	62.1
192.10196	1.1
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
50.90051	1.7
52.92424	1.8
55.05481	2.5
57.03440	2.4
65.31448	1.5
67.05510	14.7
69.03426	3.9
69.07064	5.8
71.04997	54.8
71.52821	1.8
73.50537	1.7
79.05511	11.1
81.07053	15.5
83.04971	2.4
85.06550	25.0
91.05490	20.8
93.07047	26.8
95.04974	11.5
95.08605	29.3
97.06538	33.8
103.03938	7.0
105.07035	43.9
107.08605	59.8
109.06528	25.6
109.10159	17.9
111.08086	6.1
117.07021	5.8
119.08591	19.3
121.06492	2.4
121.10152	82.2
123.08073	71.5
129.07040	3.3
131.08580	43.8
132.91595	1.8
133.10138	52.1
135.08061	42.6
135.11687	3.6
143.08566	8.8
144.09355	2.2
145.10120	14.8
147.11685	33.6
148.06036	3.7
149.09619	13.4
149.13269	34.0
158.10899	14.3
160.05043	2.1
173.13274	79.0
191.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	1.4
55.05502	4.5
56.96559	1.8
57.03428	3.6
57.07073	2.5
59.04993	2.4
65.03951	1.1
67.05506	6.0
69.03421	3.9
69.07076	8.9
69.49931	6.5
71.04988	4.2
72.93787	2.2
79.05493	8.8
81.07058	8.7
83.04988	2.2
83.08625	3.6
85.02886	2.0
85.06536	2.9
86.29465	1.0
90.94833	2.4
91.05489	17.9
93.07053	11.2
95.04980	5.0
95.08613	7.0
97.02863	1.6
97.06531	5.8
98.97602	1.5
103.03937	2.0
103.05453	2.2
105.07034	34.9
107.04945	3.5
107.08601	28.8
109.02927	1.1
109.06519	12.8
109.10161	14.2
111.08074	1.2
115.05453	2.5
117.07052	8.8
118.06510	2.2
119.08585	17.5
120.08116	1.0
121.02885	1.3
121.06528	5.9
121.10152	18.4
123.08042	7.5
123.11688	3.0
129.07036	3.4
130.07790	1.0
131.04982	1.8
131.08577	38.4
132.95808	1.2
133.10139	100.0
135.04442	1.7
135.08063	20.7
135.11685	3.3
143.08589	6.4
144.09328	2.2
145.06488	6.3
145.10133	19.9
146.06041	2.8
147.08061	1.9
147.11693	11.5
149.05988	1.5
149.09631	3.0
149.13281	24.1
149.96094	2.8
155.04868	2.7
158.10915	14.7
162.05508	1.1
163.03937	2.6
163.05811	1.7
163.07568	1.7
163.11186	2.8
163.14851	4.6
165.96779	1.0
173.05881	4.7
173.13274	59.1
174.05420	1.4
188.54918	1.3
191.03363	3.7
191.05370	2.4
191.07036	4.2
191.08574	1.2
191.10686	3.8
191.14319	49.1
194.99782	1.2
199.11874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05502	2.9
57.07084	1.3
67.05512	2.6
69.03430	1.6
69.07056	3.9
70.31112	0.9
71.04987	1.5
71.15852	2.3
73.25495	1.0
79.05516	5.2
81.07066	6.8
83.04989	1.6
85.06564	4.8
85.19608	1.1
86.14625	1.0
91.05482	11.8
93.07051	10.1
95.04939	2.0
95.08624	4.7
97.06556	7.0
99.08105	1.2
105.07043	31.7
107.08601	16.6
109.06500	2.3
109.10157	1.5
111.08080	2.0
115.05431	1.3
117.07007	4.6
119.08580	15.9
121.06545	1.8
121.10153	6.8
123.08067	3.9
129.07022	2.5
131.08578	27.8
133.10146	100.0
135.08061	5.2
135.11655	1.4
143.08588	3.7
144.09314	1.4
145.06508	1.4
145.10139	13.8
147.08058	1.3
147.11726	10.7
149.09644	4.1
149.13272	9.0
158.10954	6.8
163.11234	2.4
163.14751	2.1
173.09673	1.2
173.13283	37.9
191.06989	2.5
191.10542	1.4
191.14330	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	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25278	0.2
53.03934	0.3
55.01878	2.1
55.05516	0.4
57.07091	0.3
65.03935	0.6
67.05512	1.7
69.03442	2.2
69.07072	0.5
69.15369	2.0
71.04996	0.6
79.05500	5.9
81.07068	1.6
85.06560	0.4
86.84162	0.2
89.70962	0.2
91.05493	5.6
93.07056	3.2
95.04984	5.9
95.08056	0.3
95.08625	3.7
97.06536	0.5
98.92461	0.2
105.06324	0.3
105.07039	5.1
106.04150	0.3
107.04973	0.6
107.08609	16.8
109.06531	3.7
109.10170	2.4
115.05473	2.0
116.06307	0.4
117.06231	0.4
117.07036	4.9
119.06078	0.9
119.08559	1.1
121.06525	0.6
121.10159	1.3
123.08091	0.6
129.07011	0.3
131.08592	3.2
133.06500	0.3
133.10130	2.9
135.08070	100.0
136.08401	0.6
143.08568	0.5
144.09306	0.3
145.10133	1.2
147.11717	0.9
148.08853	0.3
149.09624	2.1
149.13289	0.9
158.10960	0.9
169.91386	0.2
173.13289	5.6
191.03287	0.3
191.06996	0.4
191.14342	15.9
191.16068	0.7
192.14676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05507	3.1
55.46577	1.1
67.05495	1.2
69.03427	6.1
69.07066	3.5
71.04991	2.3
73.31857	1.0
79.05486	3.6
79.26507	0.9
81.07058	2.3
83.05013	4.5
85.06532	1.9
91.05487	8.7
93.07056	5.5
95.08615	2.0
97.06531	4.7
98.21463	2.2
105.07036	20.4
107.08605	28.4
109.06462	1.5
109.10160	2.6
117.07009	2.3
119.08591	7.7
121.06508	2.2
121.10156	10.7
123.08070	3.8
131.08575	19.7
133.10141	100.0
135.08058	6.9
143.08572	3.5
145.10135	7.5
147.11722	5.1
149.09644	3.5
149.13269	7.9
158.10941	5.9
161.09610	1.0
163.11229	1.2
163.14841	1.5
163.83977	0.9
173.13269	37.0
191.14317	72.8
195.44983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05514	3.1
57.03433	0.3
57.07078	0.8
67.05506	2.7
69.03084	0.5
69.03437	7.7
69.07073	2.0
69.68832	1.5
71.28490	0.3
73.98636	0.3
79.05507	3.5
81.07066	4.2
83.04995	1.2
83.08634	0.6
91.05488	4.1
93.07045	3.3
95.04961	0.6
95.08635	1.5
104.94245	0.3
105.07045	8.5
107.04975	1.4
107.08608	14.0
109.06528	1.0
109.10165	4.6
115.05443	0.7
117.07053	0.8
118.07803	1.0
119.08622	2.7
121.06499	0.8
121.10156	8.9
122.07304	2.7
123.08096	0.8
127.71266	0.3
129.07021	0.5
131.08598	4.5
132.08081	0.3
133.10144	100.0
134.10439	0.4
135.08063	3.4
135.11693	1.4
137.09631	20.0
143.05991	0.3
143.08591	1.4
144.09416	0.5
145.10139	2.4
147.10034	0.4
147.11693	1.9
149.09628	0.7
149.13284	8.3
158.10921	2.5
163.14804	1.9
166.42744	0.3
173.13298	9.1
191.14348	12.3
191.16267	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01861	1.7
55.05508	3.7
57.07064	1.3
59.05000	2.0
67.05518	15.7
67.91804	1.3
69.03437	3.2
69.07086	7.8
69.49038	3.6
69.49446	5.6
71.05003	32.6
79.05505	13.9
81.07064	17.8
83.04958	2.3
85.06561	22.6
91.05492	22.9
93.07057	17.4
95.04993	18.2
95.08615	28.3
97.06547	29.7
105.07041	39.6
107.08607	77.9
109.06534	18.7
109.10179	12.0
111.08109	10.6
115.05473	1.6
117.06982	6.4
119.06039	2.1
119.08591	17.4
121.06532	3.1
121.10155	70.3
123.08083	26.5
129.06999	4.1
131.08582	40.0
133.10144	45.6
135.08063	73.5
135.11627	2.5
143.08569	4.2
145.10133	14.3
147.11708	31.9
149.09641	7.3
149.13271	28.1
158.10925	13.9
163.11154	1.8
163.14853	2.9
173.13284	66.4
177.24353	1.3
191.14322	100.0
209.32654	1.4
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
53.03947	0.9
55.01865	1.8
55.05507	1.5
57.07080	0.9
57.60889	0.6
67.05521	2.9
69.03423	1.2
69.07073	3.7
70.07179	0.6
70.19411	0.6
71.05006	3.4
71.09755	1.3
71.73969	0.6
79.05502	4.1
81.07067	4.5
83.04982	0.8
85.06539	2.7
91.04971	0.9
91.05488	9.9
93.07045	9.6
95.04975	1.7
95.08622	5.2
97.06532	6.0
99.08065	0.6
103.03979	1.1
103.05462	1.1
105.07037	23.6
107.08605	16.3
109.06534	3.9
109.10165	3.3
111.02356	0.6
111.08073	1.8
111.73127	0.5
113.37913	0.5
115.05447	1.5
116.06234	0.8
117.07029	5.1
118.07804	0.8
119.08578	7.8
120.06499	0.5
120.95561	0.5
121.06515	2.8
121.10151	10.4
123.08064	6.7
129.07018	1.5
130.07784	0.7
131.08571	28.8
133.10138	100.0
134.10487	0.7
135.08057	12.7
135.11676	1.2
143.05421	0.8
143.08601	3.1
144.09357	1.6
145.06459	0.7
145.10136	9.2
147.11697	12.0
148.06084	0.6
149.09636	6.8
149.12059	0.7
149.13268	11.7
158.10912	5.9
161.09648	0.7
163.11182	1.9
163.14835	1.2
173.13271	42.8
176.12029	0.7
191.14319	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1434
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	1.7
55.01873	1.7
55.05509	4.4
57.07080	1.4
65.03955	1.0
67.05520	22.5
69.03444	2.7
69.07082	6.8
69.49448	2.5
69.49872	3.7
71.05007	41.0
73.50854	0.9
79.05509	12.3
81.07073	12.3
83.04983	3.0
83.08604	1.2
85.06557	12.9
91.05495	18.4
93.07053	15.0
95.04979	11.1
95.08620	10.7
97.06537	12.3
99.08115	2.4
100.03246	1.0
103.03976	1.2
103.05441	1.4
105.07047	36.8
107.04966	1.7
107.08611	55.5
109.06534	39.3
109.10172	75.3
109.36960	1.0
111.08080	4.4
115.05462	2.6
117.07043	7.5
119.06069	1.0
119.08601	16.5
121.06540	7.3
121.10161	66.3
123.08091	37.6
127.77838	1.0
129.06999	2.3
130.07796	1.7
131.08583	40.0
133.06514	1.4
133.10152	33.4
135.08078	51.3
135.11674	1.6
137.09700	1.0
140.57590	1.0
143.08572	3.8
144.09352	1.6
145.06494	2.5
145.10126	11.4
147.08069	1.1
147.11720	18.2
148.08839	2.0
149.09630	9.3
149.13277	11.1
150.10515	1.9
155.04964	1.8
158.10942	8.5
161.09619	1.5
163.07530	1.7
163.14882	2.7
173.05995	7.7
173.13293	49.4
191.07013	2.0
191.14339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05513	1.4
55.83713	0.6
57.03441	0.8
67.05511	2.9
69.03440	2.4
69.07074	2.3
69.86683	3.4
71.04993	2.1
79.05493	2.3
81.07082	3.5
83.05004	1.8
83.08630	0.6
85.06554	1.4
91.05489	9.3
93.07037	5.8
95.04987	2.0
95.08610	3.3
97.06538	5.0
98.21426	1.0
103.05485	0.7
105.07045	20.7
107.08601	9.6
109.06544	6.4
109.10169	5.8
111.08060	1.5
115.05429	0.9
116.06214	0.8
117.07015	3.6
118.07829	0.9
119.08596	5.7
121.06488	1.2
121.10175	6.7
123.08076	5.0
123.11690	0.8
129.07036	2.3
131.08580	23.7
133.10146	100.0
135.08083	8.0
135.11752	0.7
143.08566	3.8
144.09319	1.3
145.10138	10.3
147.11696	4.9
147.94070	0.7
149.09625	2.5
149.13280	4.8
158.10959	5.8
163.11176	1.8
163.14861	1.5
173.13275	35.4
191.10745	1.4
191.14330	27.7
209.58665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
55.05496	0.6
56.05040	2.2
56.96571	0.7
61.01143	1.5
67.05502	0.8
70.95838	0.9
71.51882	0.4
72.93771	2.0
75.04502	2.1
79.05513	0.6
80.04990	0.6
81.73916	0.4
82.06595	0.6
83.04983	0.4
84.04465	0.7
84.08143	0.8
90.94818	2.6
91.05470	1.9
93.07022	0.8
94.06550	0.5
97.02890	0.7
98.06075	2.4
102.05479	0.6
104.05353	3.4
105.07035	1.2
106.06532	1.4
107.04903	0.7
107.08577	0.6
108.95908	0.5
115.05466	0.6
117.05743	0.6
117.06987	0.9
117.88931	0.4
118.06555	5.6
119.04926	0.6
119.08594	0.6
120.08119	1.1
130.06503	0.6
131.07277	0.9
132.04506	0.5
132.08124	2.1
132.95836	8.8
133.03143	0.9
133.08890	0.6
134.05989	0.8
134.10504	0.6
136.07549	0.6
144.06592	2.3
146.06001	3.9
146.09653	0.8
147.10437	3.2
148.07584	1.2
149.96140	2.1
150.05820	1.4
150.96902	11.8
159.46696	0.5
160.05086	7.0
161.05925	0.4
164.07031	1.3
165.05469	2.1
167.97188	1.5
174.04182	0.5
174.05482	2.7
174.09143	0.7
174.13657	0.5
176.07077	22.6
177.07854	7.0
177.15045	0.5
191.97173	2.3
192.06441	4.6
192.10194	100.0
192.17464	4.6
193.04948	0.8
193.10512	0.6
198.56805	0.5
209.98154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49092	0.6
55.05475	2.3
56.05819	0.8
57.03411	1.1
57.07050	0.7
65.03915	0.7
67.05469	2.4
67.71654	0.7
68.05796	0.9
69.03394	1.8
69.07030	1.8
70.03747	1.2
70.07381	1.3
71.04959	2.6
71.52333	1.0
72.05314	1.3
76.01125	0.6
79.05459	2.3
80.05795	1.9
81.03423	0.8
81.07021	2.4
82.07388	1.3
83.04955	1.8
83.08605	1.2
83.50245	0.6
84.05303	1.3
84.08929	0.9
85.06525	1.6
86.06853	1.0
91.05487	6.4
92.05800	6.3
93.07055	4.2
94.07384	4.0
95.04942	1.6
95.08591	2.4
96.05270	1.0
96.08920	2.8
97.06538	4.1
98.06850	2.4
103.05430	1.0
105.07040	12.0
106.06688	0.6
106.07358	17.5
107.08601	5.3
107.97304	0.6
108.08929	7.2
109.06514	3.7
109.10130	2.9
110.06846	3.7
110.10537	4.9
111.08027	0.7
116.05785	1.1
117.06994	1.2
118.06604	1.0
118.07360	3.3
119.04939	0.8
119.08649	3.3
120.08928	5.7
121.06489	1.6
121.10126	2.9
122.06841	0.9
122.10464	5.5
123.08076	2.6
124.08421	4.0
130.07346	1.8
131.08607	7.7
132.07922	1.2
132.08911	21.6
133.06561	0.7
133.10139	34.6
134.10471	100.0
135.08063	4.3
135.11713	0.8
136.08379	7.3
144.08881	3.6
145.09790	1.5
146.06006	14.5
146.10474	10.8
147.11719	2.3
148.07573	1.2
148.12012	4.8
149.09688	1.0
149.13258	1.3
150.09999	2.7
150.13593	5.9
158.01187	0.6
158.10892	0.7
159.11256	7.7
160.05074	10.7
164.07106	1.0
164.11508	0.7
164.15233	1.5
172.12073	0.9
174.05559	1.1
174.13606	47.8
178.70265	0.6
192.06654	3.9
192.07962	1.8
192.10277	1.3
192.14702	39.1
192.17569	3.6
193.04967	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	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02378	0.1
53.03948	0.1
55.01863	0.1
57.03430	0.1
60.82401	0.1
63.90936	0.1
66.17159	0.1
67.01534	0.2
67.01865	2.2
67.05515	0.2
68.99788	1.1
69.36726	0.9
79.05493	0.3
81.03410	0.7
81.07051	0.3
82.08401	0.1
83.08594	0.1
85.02520	0.1
85.02917	1.3
91.01874	0.2
91.05482	0.7
95.04985	0.3
100.46604	0.1
105.01701	0.1
105.03391	0.1
105.07049	0.8
107.08598	0.1
109.02893	0.5
109.06528	0.1
112.46188	0.1
115.05528	0.1
119.04935	0.5
119.08570	0.3
123.04384	0.2
125.02356	0.2
125.06005	1.2
127.03912	0.7
131.08568	0.1
133.06488	0.4
133.10135	0.4
137.05994	0.4
147.04430	1.7
147.11705	0.2
151.03908	1.5
153.01840	2.4
161.06000	0.4
165.05481	0.3
169.04950	1.1
175.03954	0.6
175.11208	0.2
175.14816	0.2
175.88860	0.1
193.04970	100.0
194.05344	0.4
204.83928	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	193.0497
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.94933	0.1
55.05512	0.2
57.33086	0.1
67.01866	2.3
67.05501	0.2
68.99798	1.0
69.03423	0.2
69.34825	1.1
71.94915	0.2
79.05503	0.4
80.66660	0.1
81.03415	0.5
81.07035	0.4
83.05001	0.2
85.02914	1.1
91.01808	0.2
91.05494	1.0
93.07069	0.2
95.04964	0.5
95.08585	0.4
103.05460	0.3
105.07033	1.3
107.08616	0.3
109.02883	0.4
109.10183	0.3
115.05437	0.2
119.04935	0.4
119.08571	0.7
123.04408	0.2
123.08047	0.2
125.05983	1.2
127.03900	0.5
131.08553	0.2
133.02843	0.3
133.06479	0.5
133.10104	0.6
135.11646	0.3
137.05957	0.5
137.09607	0.3
147.04424	1.7
147.11687	0.6
151.03894	1.1
153.01817	1.6
161.06007	1.0
165.05428	0.3
169.04977	1.0
175.03900	0.5
175.11188	0.3
175.14862	0.3
193.04971	100.0
193.15854	0.4
194.05321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03944	1.6
55.01883	4.3
55.05518	1.6
57.03440	0.9
58.09572	0.6
59.05013	0.9
60.04564	0.5
65.03970	1.1
67.05516	1.7
68.99800	0.6
69.03440	1.5
71.04979	0.6
71.25747	1.0
79.05500	10.3
81.03453	3.7
81.07073	2.4
83.01336	1.0
83.04995	1.1
83.08622	1.0
90.04700	0.6
91.05491	10.5
93.07043	3.0
95.04975	3.9
95.08625	2.1
97.02919	0.8
103.05475	11.1
104.06258	0.8
105.03432	0.7
105.07045	78.9
107.04983	1.4
107.08596	2.6
109.06560	1.7
109.10172	2.2
111.04504	0.7
115.05470	15.0
117.07008	1.1
118.04181	8.8
119.04919	2.5
119.08597	12.0
120.08952	0.5
121.06528	1.5
121.10197	0.7
123.04427	0.9
123.08049	0.9
131.04918	3.2
131.08562	1.5
132.05742	1.2
133.02859	1.7
133.06509	71.2
133.10144	4.8
135.08080	1.1
135.11719	1.6
137.06052	2.9
137.09634	1.1
143.05003	0.8
143.06049	7.4
147.04396	4.3
147.08078	2.3
147.11719	5.6
149.02319	1.1
149.06018	0.8
150.74075	0.5
151.07588	0.6
151.11227	1.0
157.10188	0.8
161.06003	100.0
162.06351	1.3
165.05524	1.9
165.09137	1.5
165.12750	0.8
175.03964	1.6
175.07521	0.8
175.11264	2.5
175.14883	1.8
178.02647	0.8
193.05009	20.2
193.08632	16.4
193.10022	0.7
193.10519	1.0
193.12195	4.5
193.13902	0.6
193.15910	1.5
193.17564	0.6
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
53.03951	1.6
55.01868	3.0
55.05510	1.2
57.03441	1.7
59.05017	0.9
62.39114	0.5
65.03931	0.7
67.05502	2.0
67.48151	0.5
67.48524	0.5
69.03413	0.8
69.07054	0.7
70.64329	1.2
70.64693	1.1
71.05006	0.8
75.92332	0.5
77.03931	0.8
77.94644	0.5
79.05501	12.1
79.61947	0.5
81.03427	3.7
81.07056	3.6
83.04981	1.9
85.02969	0.5
90.04689	1.0
91.05488	6.4
93.07052	3.3
95.04970	3.1
95.08625	1.7
96.95773	0.5
97.06517	0.5
103.05479	11.1
105.07038	83.5
107.04955	1.3
107.08601	1.4
109.06538	1.2
109.10170	2.0
115.05459	17.4
118.04158	8.5
119.04955	0.6
119.08611	3.6
121.06551	0.7
121.10130	1.0
122.64682	0.5
123.08063	1.6
125.05910	0.7
131.04883	3.2
131.08598	0.8
132.05739	1.0
133.02875	1.1
133.06499	74.8
133.10136	3.6
134.06882	0.5
135.08078	1.2
135.11734	1.0
137.06018	1.5
137.09631	1.7
141.79453	0.5
143.05016	1.1
143.06038	7.1
146.97514	0.8
147.04451	0.8
147.08072	1.0
147.11646	2.7
149.02364	1.3
149.05991	0.6
149.13211	0.5
161.05995	100.0
162.06377	0.7
165.05458	1.0
165.12769	0.5
166.40428	0.5
169.99028	0.7
175.11163	1.7
175.14819	2.1
178.02670	1.1
193.04964	9.7
193.08582	16.2
193.10002	1.1
193.12204	3.1
193.15952	2.8
193.17612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.33826	0.5
53.03951	1.9
54.05198	0.5
55.01878	3.6
55.05522	2.5
57.03448	3.5
59.04997	0.9
61.74191	0.5
62.11623	0.5
65.03941	0.7
66.77602	0.5
67.05508	5.2
69.03418	0.6
69.07068	1.0
69.88580	0.6
71.04991	1.2
71.25708	0.7
79.05499	10.9
81.03418	2.1
81.07066	9.7
83.04991	3.1
83.08628	1.4
90.04713	0.7
91.05487	8.5
93.07050	5.0
95.04984	3.0
95.08610	6.4
97.06563	1.1
98.21546	2.3
99.08122	1.1
103.05468	10.4
105.07040	82.3
107.08603	3.0
109.06537	4.4
109.10152	3.3
110.31161	0.5
111.08099	1.1
114.38728	0.6
115.05459	18.8
117.80084	0.7
118.04174	8.4
119.04996	0.8
119.08582	6.7
121.06528	1.4
121.10137	1.8
123.04465	0.6
123.08086	1.6
131.04048	0.6
131.04901	2.7
131.08582	0.5
132.05696	1.1
133.06502	71.4
133.10129	6.1
134.06906	0.7
135.11684	2.2
137.05919	3.8
137.09634	2.2
143.04993	1.0
143.06049	8.0
146.97469	1.0
147.04462	1.1
147.08073	1.6
147.11702	3.7
149.02409	0.9
149.13318	1.3
151.11249	0.7
161.05992	100.0
162.06549	0.6
165.05449	1.1
165.12778	0.6
175.11235	2.6
175.14827	7.3
178.02579	0.9
193.04950	10.3
193.08582	13.1
193.10083	1.1
193.12172	4.7
193.15904	9.5
193.17723	1.5
194.15410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
51.81762	0.6
53.03938	2.1
55.01875	4.1
55.05504	2.8
56.96544	0.7
57.03437	2.0
59.05003	11.9
65.03933	0.9
67.05511	4.9
69.03424	1.9
69.07073	1.3
70.06600	1.1
71.04977	1.4
71.52430	0.8
79.05505	13.6
81.03003	0.6
81.03434	9.4
81.07071	5.8
83.04996	3.8
85.02935	0.7
91.05492	16.0
93.07052	4.2
95.04979	7.6
95.06900	0.8
95.08605	2.5
97.02913	0.7
97.06557	0.9
99.08131	0.9
103.05487	11.8
104.00219	0.6
105.03420	1.6
105.07043	91.1
107.04972	2.3
107.08605	2.8
109.06558	2.9
109.10164	2.5
111.04460	1.4
111.08085	0.7
115.04694	1.2
115.05476	18.0
116.06305	0.6
117.07060	1.2
117.09090	0.6
118.04169	10.0
119.04961	2.4
119.08596	10.9
119.68014	0.7
121.06525	1.5
121.10184	1.0
123.04436	1.2
123.08099	1.6
123.11789	0.7
129.07048	1.8
131.04968	3.7
131.08604	2.3
132.02150	0.7
132.05724	1.9
133.02890	2.2
133.06505	75.2
133.10143	19.6
135.08069	1.7
135.11688	1.6
136.06197	0.9
137.05984	2.9
137.09622	1.1
139.08708	1.3
143.04942	2.0
143.06078	6.8
146.03740	0.8
146.97467	1.4
147.04460	5.0
147.06372	6.2
147.08064	1.7
147.11732	7.2
149.02400	1.0
149.05946	1.0
149.09650	1.1
150.03078	0.7
151.05881	0.9
151.07568	1.1
151.11145	0.9
151.98035	0.6
157.10165	1.5
161.06001	100.0
162.06416	1.4
163.03951	0.8
165.05501	2.8
175.03896	3.8
175.05830	1.6
175.07410	0.9
175.11195	5.0
175.14874	1.9
178.02637	0.9
178.06274	2.3
178.07722	0.7
193.05008	21.7
193.06952	1.6
193.08611	16.8
193.10039	0.7
193.12119	7.5
193.15952	1.7
194.08078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02373	0.7
51.81762	0.6
53.03938	2.1
55.01875	4.1
55.05504	2.8
56.96544	0.7
57.03437	2.0
59.05003	11.9
65.03933	0.9
67.05511	4.9
69.03424	1.9
69.07073	1.3
70.06600	1.1
71.04977	1.4
71.52430	0.8
79.05505	13.6
81.03003	0.6
81.03434	9.4
81.07071	5.8
83.04996	3.8
85.02935	0.7
91.05492	16.0
93.07052	4.2
95.04979	7.6
95.06900	0.8
95.08605	2.5
97.02913	0.7
97.06557	0.9
99.08131	0.9
103.05487	11.8
104.00219	0.6
105.03420	1.6
105.07043	91.1
107.04972	2.3
107.08605	2.8
109.06558	2.9
109.10164	2.5
111.04460	1.4
111.08085	0.7
115.04694	1.2
115.05476	18.0
116.06305	0.6
117.07060	1.2
117.09090	0.6
118.04169	10.0
119.04961	2.4
119.08596	10.9
119.68014	0.7
121.06525	1.5
121.10184	1.0
123.04436	1.2
123.08099	1.6
123.11789	0.7
129.07048	1.8
131.04968	3.7
131.08604	2.3
132.02150	0.7
132.05724	1.9
133.02890	2.2
133.06505	75.2
133.10143	19.6
135.08069	1.7
135.11688	1.6
136.06197	0.9
137.05984	2.9
137.09622	1.1
139.08708	1.3
143.04942	2.0
143.06078	6.8
146.03740	0.8
146.97467	1.4
147.04460	5.0
147.06372	6.2
147.08064	1.7
147.11732	7.2
149.02400	1.0
149.05946	1.0
149.09650	1.1
150.03078	0.7
151.05881	0.9
151.07568	1.1
151.11145	0.9
151.98035	0.6
157.10165	1.5
161.06001	100.0
162.06416	1.4
163.03951	0.8
165.05501	2.8
175.03896	3.8
175.05830	1.6
175.07410	0.9
175.11195	5.0
175.14874	1.9
178.02637	0.9
178.06274	2.3
178.07722	0.7
193.05008	21.7
193.06952	1.6
193.08611	16.8
193.10039	0.7
193.12119	7.5
193.15952	1.7
194.08078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03948	6.1
55.01862	4.2
55.05513	6.7
57.03440	100.0
57.07077	1.8
59.04999	1.6
59.56016	0.9
62.28184	0.9
62.55019	0.9
63.37643	1.1
65.03935	2.2
66.25058	1.1
67.05505	15.7
69.03418	4.0
69.07066	2.6
69.76913	5.9
71.04997	2.0
72.05636	0.9
74.27382	0.9
75.04473	4.2
77.03934	2.1
78.04725	0.9
79.05499	14.2
81.03425	8.9
81.07056	12.0
83.04988	1.7
83.08635	2.0
84.79513	1.0
85.06552	8.8
91.04902	2.2
91.05484	62.2
93.07050	65.9
95.04959	15.1
95.08624	6.0
97.06551	3.2
98.20849	2.0
99.08077	2.4
103.05466	3.4
105.04510	3.4
105.07035	49.4
107.04957	5.1
107.08591	9.5
109.06515	4.7
109.10166	13.1
115.05447	5.8
117.07026	12.8
119.04916	2.0
119.08586	88.5
121.06506	62.5
121.10133	1.3
123.08040	2.0
129.07031	5.0
131.04921	1.4
131.08572	4.0
132.05667	1.4
133.02875	1.8
133.06506	17.4
133.10136	31.4
135.08049	7.1
135.11702	5.2
137.05934	1.1
137.09630	30.0
142.07806	6.8
143.06155	1.1
145.06450	4.8
145.10178	2.5
146.07280	11.2
147.04427	3.2
147.07109	0.6
147.08054	32.0
147.11685	37.7
149.02357	2.9
149.09549	1.1
157.10109	8.6
160.08871	4.7
161.06004	13.0
163.11234	1.1
168.17885	1.2
169.99100	1.8
175.11189	50.0
175.14758	5.9
178.02553	1.5
193.04962	12.1
193.08507	6.2
193.12242	15.9
193.15895	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03936	5.5
54.74020	1.2
55.01675	1.3
55.01878	15.1
55.05302	1.3
55.05514	14.3
55.10502	1.3
57.03443	20.9
61.34046	1.3
65.03941	3.2
67.05508	31.4
69.03435	8.4
69.07056	6.3
71.04992	3.3
71.52129	1.6
77.93826	1.4
79.05489	30.6
81.03422	100.0
81.06590	3.0
81.07061	58.5
83.04973	7.9
83.08620	12.1
85.06534	4.0
91.05481	33.8
93.07047	17.6
95.04974	41.6
95.08608	11.8
96.06643	1.5
97.02848	2.1
97.06533	13.0
103.05468	4.1
105.07040	51.4
107.04965	8.4
107.08582	15.6
109.06523	36.6
109.07261	2.5
109.10165	10.7
111.04446	2.3
111.08063	5.6
115.05418	3.4
117.07018	7.7
119.04961	4.4
119.08587	63.1
121.06528	8.4
121.10136	10.1
123.04392	2.1
123.08060	10.1
123.11690	4.5
129.07005	11.2
131.08578	9.5
133.02820	1.6
133.06512	12.2
133.10138	16.6
135.08075	13.3
135.11673	4.7
137.06003	9.3
137.09628	40.2
137.13292	1.9
142.07799	8.2
145.06491	3.0
145.10115	2.2
147.04427	6.1
147.08064	7.0
147.11693	31.8
147.15063	1.7
149.02347	4.6
149.09619	6.4
151.11223	10.1
157.10130	12.2
160.08827	3.0
161.06055	7.9
165.05498	1.9
165.12755	5.8
175.03874	2.3
175.11192	46.8
175.14867	3.8
193.04982	20.2
193.08569	8.1
193.12250	67.7
193.14008	3.0
193.15933	5.4
193.17735	2.3
194.12321	1.5
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	beta-Ionone
Peak:m/z	Relative Intensity
53.03926	1.3
55.05512	9.7
57.07058	3.3
59.04995	1.9
61.32624	0.9
67.05229	0.9
67.05507	9.5
67.57895	1.0
69.07071	30.1
69.28802	8.1
70.46406	0.9
71.05001	15.5
71.08622	1.1
76.44922	0.8
77.39870	1.0
79.05501	6.7
81.07059	22.0
83.04998	2.1
83.08618	4.8
85.06551	9.3
89.12162	0.8
91.05494	6.8
93.07045	28.4
94.09339	1.1
95.04974	32.6
95.08606	21.7
97.06523	4.2
97.10181	8.7
99.08076	8.1
105.07049	11.9
107.08596	33.4
109.06522	100.0
109.10162	18.1
111.08095	7.0
111.08742	1.3
111.11705	4.5
119.08592	26.0
121.10164	9.4
123.08077	7.5
123.11703	22.1
131.08501	1.1
133.10133	24.1
135.11694	37.3
135.12718	1.9
137.09624	14.1
146.10846	1.0
147.11673	3.2
149.13263	10.6
151.11134	4.6
151.14780	2.0
156.07280	1.0
175.14830	46.2
177.79088	1.1
193.04935	4.3
193.15883	88.3
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	gamma-Ionone
Peak:m/z	Relative Intensity
53.86786	0.7
55.05522	5.9
57.03436	1.9
57.07070	1.8
59.04986	0.9
61.91810	0.8
64.21822	0.7
67.05516	6.8
69.03426	1.6
69.07075	5.8
69.40330	6.7
71.04999	4.9
79.05495	8.7
81.03406	3.7
81.07069	17.9
83.08633	4.0
91.05491	10.9
93.07054	33.7
95.04970	3.5
95.08618	14.5
97.06530	1.2
99.08105	1.0
103.05457	1.6
105.07048	23.2
105.07771	1.3
106.35553	0.9
107.08607	46.7
109.06517	4.7
109.10178	7.9
111.08095	17.7
115.05476	2.9
117.07001	1.5
118.04180	1.0
119.08596	36.1
120.09435	0.9
121.10173	5.2
123.08109	5.5
123.11722	7.1
125.06029	1.2
125.09660	1.0
128.96376	1.0
133.02882	1.1
133.06505	7.2
133.09111	1.8
133.10147	41.6
135.11710	100.0
137.09644	9.9
147.04471	1.9
147.08083	1.3
147.11699	6.9
149.02338	0.9
151.11217	2.4
161.05994	8.2
175.11301	2.1
175.14853	51.1
176.15179	1.0
178.02690	1.5
188.27728	0.8
193.04993	20.2
193.08600	6.1
193.12251	4.1
193.15918	40.5
193.88145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.00327	0.4
53.03949	0.7
53.62156	0.4
54.68024	0.4
55.01901	0.4
55.05503	0.5
59.58558	0.4
59.91966	0.4
63.02378	0.5
68.96333	0.7
69.03420	0.5
69.07098	0.4
70.76576	1.1
77.03940	0.5
78.04720	0.9
79.05492	1.3
81.03425	0.9
81.07041	0.9
83.05047	0.5
84.04504	0.5
89.03925	16.9
89.06027	1.5
91.05497	2.6
93.03419	0.6
93.07040	1.1
95.04984	0.7
95.08587	0.4
103.05481	1.4
105.07043	0.8
106.04185	1.9
107.04939	1.2
107.08632	0.5
109.98953	1.0
114.46552	0.4
117.03389	41.4
121.06504	1.8
121.10150	0.7
123.04494	0.7
125.05991	0.6
129.10275	0.5
130.96294	2.3
131.08559	0.4
133.08615	0.6
134.03633	6.0
135.04411	4.0
135.08080	0.5
137.09650	0.5
145.02853	77.1
148.97377	1.3
149.05994	17.3
151.03900	0.6
151.07539	0.5
153.05484	5.8
153.97890	1.6
162.03185	1.8
163.03918	9.0
171.98997	2.0
177.05479	100.0
178.05908	0.4
186.05602	0.5
195.01222	0.8
195.02908	1.9
195.06584	1.8
195.10144	0.9
195.15872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03944	0.6
55.01863	0.7
62.61478	0.5
63.02384	0.4
67.01854	0.5
67.05508	0.6
68.96337	1.3
69.03442	0.9
69.70193	2.5
70.94273	0.6
78.04737	0.5
79.05488	1.1
81.03426	2.2
81.07069	1.1
84.08112	0.6
89.03922	13.4
89.06042	1.2
89.66978	0.5
91.05479	2.4
93.03415	0.8
93.07055	1.3
95.04984	0.6
95.08595	0.6
103.05469	1.3
105.06894	0.4
106.04185	2.0
107.04971	1.0
107.08604	0.8
109.02882	1.6
109.10167	0.5
109.98945	1.2
117.03387	36.7
121.02913	0.6
121.06506	1.2
121.10120	0.7
125.06001	0.8
127.99985	0.6
130.96297	2.3
131.96190	0.6
132.99889	0.4
134.03633	5.3
135.04433	4.0
135.11685	0.5
145.02853	72.8
147.04431	0.7
148.97365	2.0
149.05988	16.6
149.09659	0.5
149.13351	0.5
153.01831	9.8
153.05467	1.2
153.97925	2.2
154.97780	0.6
162.03139	1.7
163.03931	8.5
167.08539	0.8
167.26605	0.6
168.03864	0.5
171.02916	0.8
171.98993	2.1
177.05479	100.0
177.16371	0.4
185.26869	0.4
185.38379	0.4
185.70901	0.5
186.05495	1.0
195.02930	1.3
195.06522	2.6
195.08090	0.8
195.15651	0.9
197.52725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03936	0.5
63.02372	0.6
67.78181	0.3
68.96326	1.1
70.13308	0.4
70.76352	1.1
78.04718	0.7
80.68909	0.4
81.03436	0.6
81.07043	0.6
87.02894	0.4
88.53421	0.4
89.03922	17.0
91.05486	2.1
93.03396	0.5
103.05465	1.2
106.04182	1.8
109.98933	0.8
117.03386	36.9
119.04955	0.6
121.06523	1.1
125.05972	0.4
130.96306	2.7
134.03630	5.5
135.04457	2.7
139.52957	0.4
145.02849	73.2
148.97371	1.4
149.05984	16.8
153.97845	2.2
162.03099	1.4
163.03920	7.3
171.98944	1.8
177.05473	100.0
186.05498	1.0
195.06558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.80574	0.5
54.32348	0.5
55.05523	1.8
57.03447	0.5
58.00100	0.5
63.02350	0.5
64.05054	0.5
65.03941	1.2
67.05502	1.4
68.96342	1.4
68.99797	0.7
69.03431	0.6
69.07080	2.2
70.06611	0.8
70.57193	1.0
70.94263	0.5
73.02936	0.6
78.04715	0.7
79.05497	2.1
81.03439	1.2
81.07068	1.7
83.04983	2.2
84.04466	0.6
84.08138	1.1
85.02897	0.7
88.25842	0.4
89.03925	14.7
89.06046	2.6
91.05494	3.0
93.03410	1.1
93.07021	2.4
95.04966	1.3
95.08624	1.8
97.02882	0.7
97.06524	1.2
98.21453	0.6
98.97620	1.2
103.05481	1.3
105.03423	1.2
105.07030	1.2
106.03666	0.9
106.04265	1.1
107.04961	3.4
107.08595	2.1
108.33463	0.5
109.98972	2.0
111.04452	3.9
111.08046	0.5
117.03390	35.7
121.02872	1.4
121.06519	1.5
121.10158	1.3
125.06023	1.3
130.96321	3.6
131.08539	0.9
133.08560	0.7
133.10178	0.8
134.03627	4.8
135.04434	4.2
135.08096	1.6
135.11700	1.1
137.09679	1.0
139.03906	2.4
139.50911	0.7
145.02858	70.2
148.97375	2.8
149.02351	2.6
149.05992	15.8
149.09618	1.3
149.13309	0.6
151.07616	0.5
153.01831	0.5
153.05466	3.8
153.12849	0.6
153.97949	2.9
158.99683	0.6
159.11760	1.0
162.03125	1.8
163.03909	9.8
163.07588	0.9
167.03465	3.0
167.07030	0.9
171.99010	2.9
177.05486	100.0
177.12691	1.1
177.16431	0.8
186.05563	1.1
195.02924	10.3
195.05322	0.9
195.08168	1.2
195.10095	2.7
195.11760	0.7
195.13815	1.2
195.15698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
50.01603	0.2
50.47423	0.2
53.03943	0.3
55.05524	0.7
57.03441	0.3
63.02396	0.6
65.03955	0.3
67.01874	0.3
67.05525	1.9
68.96352	0.3
68.99805	0.9
69.03430	0.3
69.07076	1.0
69.59449	0.2
69.80511	0.2
71.04995	0.3
71.52599	0.2
78.04721	0.7
79.05516	2.1
81.03423	0.5
81.07070	2.7
83.05004	0.4
83.08614	0.3
84.08174	0.3
85.06562	0.4
85.10195	0.4
86.09694	0.3
89.03929	17.3
89.06036	1.1
91.05497	2.8
93.03432	0.3
93.07062	2.4
95.04986	0.8
95.08621	1.4
97.06543	0.8
99.08144	0.2
103.05490	1.2
105.04549	0.2
105.07051	0.7
105.79371	0.2
106.04189	1.6
107.04973	3.6
107.08618	1.8
109.02919	0.4
109.06532	0.4
109.10195	0.3
111.04478	0.5
111.08057	0.3
117.03394	37.7
119.04948	0.5
119.08635	0.4
120.05674	0.2
121.06525	1.3
121.10155	1.4
125.05980	0.3
125.09660	0.9
128.77841	0.2
130.96315	0.6
131.08574	0.4
133.08630	0.3
133.10146	0.7
134.03656	5.7
134.04648	0.4
135.04427	5.5
135.08083	1.2
135.11697	1.1
137.06007	0.2
137.09648	0.4
139.03932	0.3
145.02864	76.3
146.03242	0.2
148.97385	0.6
149.06001	18.1
149.09651	0.5
149.13295	0.7
153.05511	1.8
153.09120	2.1
153.97931	0.4
158.06020	0.6
159.11717	0.6
162.03073	1.4
163.03929	12.0
163.07545	1.5
171.98996	0.4
177.05492	100.0
177.16418	0.5
178.05872	0.6
180.07809	0.3
186.05516	2.8
191.20891	0.2
195.02879	1.3
195.06612	1.7
195.08250	0.3
195.10181	1.0
195.11887	0.5
195.13866	0.9
195.15797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03948	1.1
54.87016	0.4
55.01881	0.7
55.05509	1.4
57.03444	0.5
63.02389	0.9
65.03934	0.5
67.05511	5.8
68.96360	0.4
69.03449	0.5
69.07079	1.7
70.06573	0.4
70.85336	0.8
71.05000	0.9
77.03951	0.4
78.04744	0.7
79.05500	3.8
81.03418	1.2
81.07066	7.8
83.04987	1.2
83.08635	0.9
84.08174	0.6
85.06552	0.9
89.03925	18.4
89.06033	2.3
91.05496	4.3
93.03381	0.5
93.07056	6.1
95.04969	1.2
95.08628	3.3
97.02879	0.4
97.06519	0.9
103.05460	1.0
104.34862	0.4
105.07029	1.1
106.04171	1.6
107.04979	1.6
107.08627	2.8
109.06532	1.0
109.10145	0.5
109.98920	0.5
111.04506	0.8
111.08094	0.7
117.03392	38.5
117.07052	1.0
119.08591	0.7
121.06506	1.8
121.10164	2.6
123.08060	0.5
123.38483	0.5
130.96315	1.4
131.08595	1.2
133.10141	1.8
134.03641	6.5
135.04453	5.8
135.08037	0.8
135.11707	3.2
137.09692	0.5
145.02859	74.6
147.04425	0.5
148.97377	0.9
149.05994	18.0
149.09610	0.9
149.13293	2.0
153.05452	1.0
153.09087	0.8
153.97887	1.2
158.06055	0.8
159.11725	1.8
162.03159	1.8
163.03926	14.2
171.98961	1.4
177.05484	100.0
177.12756	1.1
177.16383	0.5
186.05481	2.0
189.20995	0.4
195.02887	1.3
195.06477	2.4
195.10176	0.6
195.12219	0.5
195.13792	2.2
195.15604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03956	0.4
55.01869	0.6
55.05508	1.2
62.01562	0.4
63.02369	0.8
65.03944	0.8
67.01879	1.4
67.05499	2.0
68.32915	0.4
68.96327	0.6
69.03420	0.9
69.07056	1.8
70.88781	1.0
70.94282	0.4
71.04995	0.6
78.04704	0.7
79.05500	2.8
81.03417	1.1
81.07054	2.9
83.04992	0.8
83.08595	0.6
84.04513	0.5
84.08167	0.7
85.02911	0.7
85.06551	0.7
89.03918	16.4
89.06036	1.7
91.05478	3.2
93.03400	1.3
93.07047	4.0
95.04977	1.0
95.08590	2.0
97.02887	0.7
97.06545	0.7
98.97578	1.2
102.82268	0.4
103.05469	1.2
104.66244	0.4
105.04517	0.6
105.07051	1.1
106.04147	1.9
107.04947	2.3
107.08584	2.5
109.02887	0.5
109.98976	0.7
111.04434	1.3
117.03383	37.1
119.08598	0.7
121.02858	0.5
121.06487	1.7
121.10159	1.4
124.05219	0.4
125.05988	1.6
130.96320	2.1
131.08604	1.1
133.02812	0.5
134.03661	5.5
135.04430	4.9
135.08058	1.1
135.11673	2.0
139.03868	0.5
143.22878	0.4
145.02847	71.2
148.97369	1.9
149.04773	0.9
149.05981	16.6
149.09641	2.2
153.01830	7.1
153.05450	3.8
153.97888	1.3
158.05971	0.5
158.99658	0.8
159.11736	0.6
162.03114	1.6
163.03888	10.2
167.07100	0.5
167.08586	0.5
171.98914	1.9
177.05473	100.0
177.12761	1.6
177.16356	0.9
178.05659	0.4
186.05496	2.2
195.02971	2.6
195.06549	2.3
195.08029	0.9
195.10199	0.9
195.13797	0.8
195.15790	0.4
196.97887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
50.13866	0.7
53.03949	3.1
55.01869	1.9
55.05511	3.0
57.03431	2.1
57.07085	1.5
59.05011	1.3
65.03944	2.4
67.05511	22.2
67.05872	1.2
68.96349	1.1
69.03434	1.2
69.07077	7.7
70.10125	2.1
70.10516	2.7
71.04993	2.7
71.95277	1.7
79.05499	100.0
80.05824	1.0
81.03436	3.1
81.07063	44.6
83.04996	6.1
83.08614	3.2
85.06568	1.3
86.12616	0.8
89.03916	4.6
89.06039	13.2
91.05471	8.1
91.16923	0.8
93.03398	2.3
93.07053	35.5
95.04961	4.0
95.08612	7.1
95.37827	0.8
97.00556	1.1
97.06541	29.6
99.08121	1.2
100.02489	1.3
105.04523	1.0
105.07042	3.3
107.04958	8.1
107.07079	1.2
107.08604	20.8
109.02872	2.1
109.06525	3.1
109.10153	1.4
109.98937	1.7
111.04449	14.6
111.08099	1.7
112.96678	1.0
117.03382	9.6
117.07011	4.5
119.08602	5.0
121.06539	1.6
121.10146	10.2
123.08109	1.4
125.06003	48.8
125.09641	1.0
130.96289	2.3
131.08563	3.2
133.02858	3.5
133.08598	1.9
133.10139	3.8
134.03600	1.2
135.04440	5.3
135.08057	3.9
135.11699	10.8
137.09657	1.0
139.07559	1.9
145.02864	19.1
148.97377	2.8
149.05989	5.1
149.13269	68.2
149.97194	2.6
153.09103	1.1
153.97939	2.6
159.11673	7.9
163.03922	37.4
165.07034	2.3
167.08513	1.1
171.98969	3.0
177.05489	25.7
177.12756	29.5
177.16360	1.2
180.09441	2.1
186.05577	1.0
195.02910	4.3
195.06544	1.5
195.10086	1.7
195.11780	6.1
195.13812	22.2
195.15680	2.4
196.59615	0.9
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
53.03952	6.2
55.01871	6.4
55.05516	24.9
56.96582	3.6
57.03436	10.4
57.07081	4.9
60.74162	2.2
67.05508	83.1
69.03458	3.2
69.07071	26.1
70.06616	2.5
70.77669	5.7
70.94266	2.3
71.01362	2.7
71.05003	10.5
79.05499	56.2
81.03428	27.8
81.07062	100.0
82.07423	2.8
83.04988	18.3
83.08626	14.4
85.02921	2.5
85.06544	5.6
88.18069	2.0
89.03925	14.2
89.06041	31.6
91.05478	34.1
93.07056	66.5
95.05009	13.3
95.08614	39.0
97.06540	18.5
99.08128	4.7
103.05511	2.5
105.07043	13.5
107.04981	6.4
107.08598	36.9
109.06555	6.6
109.10199	5.9
109.86536	2.3
111.08109	6.9
117.03384	30.3
117.07024	16.0
119.08611	4.1
121.06520	13.4
121.10147	15.8
123.11712	2.7
125.09637	2.5
125.50117	2.0
130.96309	4.3
131.08562	23.5
133.02867	10.1
133.08630	9.2
133.10150	21.2
134.03667	4.6
135.04433	14.6
135.08075	6.6
135.11699	26.0
137.09625	2.8
138.09093	2.6
138.84024	2.4
145.02841	46.3
148.97400	4.2
149.05980	12.2
149.09575	5.5
149.13255	24.3
149.97169	3.5
153.09183	3.0
153.97847	5.4
154.97752	3.2
159.11705	21.8
163.03912	98.7
165.07019	2.6
166.68234	2.1
171.99010	8.4
172.98877	3.3
177.05482	69.8
177.12785	14.7
177.16397	2.9
180.09334	2.4
186.05457	3.5
195.02882	8.9
195.06508	4.1
195.08452	3.9
195.11903	6.9
195.13850	28.4
195.15759	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.2
55.01862	2.2
55.05516	10.9
57.07064	0.9
65.03931	3.1
66.64188	0.8
67.05507	100.0
69.03409	1.6
69.07069	15.3
69.51039	0.9
70.76875	2.6
71.04993	5.9
73.02892	1.3
79.05495	33.5
80.87086	0.9
81.03412	3.7
81.07059	96.2
83.04974	7.4
83.08607	10.2
85.06561	5.5
87.04435	0.9
89.03901	2.3
89.06038	2.6
91.05486	23.3
93.07049	56.9
95.04965	6.0
95.08610	37.8
97.06535	16.1
97.10174	2.3
99.08098	2.6
105.07040	9.7
107.04955	1.3
107.08604	23.6
109.02862	1.0
109.06525	2.9
109.10146	3.0
111.08096	8.7
113.06004	2.1
117.03397	5.5
117.07026	15.1
119.08582	3.0
121.06503	3.9
121.10132	8.3
123.08059	1.6
123.11687	0.9
125.09642	0.9
130.96301	0.9
131.08577	14.8
133.10132	22.0
135.08061	4.5
135.11693	36.4
145.02855	10.4
147.11685	1.4
149.05989	2.6
149.09608	2.8
149.12042	2.0
149.13264	40.1
151.11186	6.5
153.09093	1.3
153.12773	1.0
153.98021	1.0
155.83224	0.9
158.35736	0.9
159.11700	34.2
163.03886	4.2
177.05470	16.0
177.06892	1.5
177.12749	21.7
177.16292	1.1
195.02811	1.4
195.06493	1.2
195.13815	31.7
212.25188	0.9
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	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03952	7.3
55.01871	3.3
55.05520	27.1
57.03444	14.3
57.07079	4.6
65.03925	3.1
67.05511	30.7
69.03429	8.4
69.07072	56.6
71.04996	24.6
71.92400	1.9
79.05499	68.7
81.03416	5.1
81.07063	70.3
83.04984	4.6
83.08620	13.9
85.06539	4.1
86.79622	2.0
89.03934	8.6
89.06007	9.4
91.05488	41.3
93.07050	100.0
95.04978	14.5
95.08613	27.2
97.06528	5.1
100.02451	3.6
103.05473	2.5
104.70699	2.0
105.04555	3.7
105.07034	33.3
105.36241	1.8
107.04982	10.8
107.08601	70.2
109.06524	19.0
109.10179	4.0
109.98943	1.7
111.08070	2.4
115.05440	3.7
117.03409	16.5
117.07030	24.6
119.08588	23.4
121.06505	21.3
121.10160	16.1
122.07280	2.6
123.08083	18.1
129.07019	9.6
130.07782	4.4
130.96344	6.8
131.08571	32.8
133.02859	7.4
133.06514	65.3
133.07573	5.2
133.10118	9.7
134.03603	2.7
135.04430	11.1
135.08087	10.5
135.11708	12.7
137.09607	3.8
140.76625	1.7
142.07893	2.1
144.09351	8.8
145.02872	29.9
147.11682	2.0
148.97392	2.5
149.05997	7.9
149.09592	3.0
149.13268	22.1
153.05467	2.7
153.97870	2.9
159.11707	27.6
163.03918	85.9
171.98938	3.6
177.05479	39.7
177.07047	2.0
177.08939	2.4
177.12793	13.5
195.03087	4.1
195.06546	3.9
195.11766	1.9
195.15701	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.09777	0.8
53.03934	2.4
53.80872	0.7
55.01860	3.2
55.05510	6.5
57.03439	44.8
57.07088	0.9
67.05503	19.5
68.96330	1.7
69.03418	1.3
69.07074	5.8
69.77729	3.8
71.04996	1.9
72.25525	0.7
75.04481	2.6
79.05062	1.3
79.05497	16.7
81.03428	7.8
81.07057	20.8
83.04983	4.1
83.08627	1.6
85.06548	9.1
88.23935	0.7
89.03916	2.7
89.06019	4.5
91.05479	8.9
93.07046	22.8
95.04976	8.2
95.08609	22.3
97.06519	4.4
99.08093	2.4
103.05497	0.7
105.07020	5.6
105.82507	0.7
107.04954	2.8
107.08593	10.4
109.02892	1.2
109.06500	3.3
109.10156	1.8
109.98954	1.3
111.04481	0.7
111.08094	5.0
111.67222	0.6
117.03381	8.9
117.07030	4.3
119.08613	3.2
121.06512	2.8
121.10142	6.6
123.08068	100.0
125.06013	0.9
130.96306	3.2
131.08557	4.8
133.02846	3.1
133.06497	1.2
133.08591	1.1
133.10126	3.7
134.03633	1.0
135.04410	3.9
135.08072	4.1
135.11710	7.1
137.09589	1.6
139.07550	0.8
139.11194	3.7
144.09346	0.9
145.02846	15.9
148.97351	2.9
149.05984	3.9
149.09607	1.5
149.13242	7.6
151.11134	1.3
153.97917	3.0
159.11687	4.7
163.03911	33.7
167.06995	0.8
169.49710	0.7
171.98975	2.9
177.05467	19.5
177.12741	7.4
177.16493	0.8
195.02892	2.2
195.06572	1.5
195.08421	0.7
195.13814	11.1
195.15706	2.3
199.31772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	6.9
55.01870	4.2
55.05513	18.2
56.96556	3.2
57.03440	25.8
57.07072	4.1
65.03933	3.7
66.82890	1.6
67.05508	80.5
68.96348	3.5
69.03418	4.8
69.07066	22.0
71.04978	7.7
75.04441	2.7
77.03955	1.8
79.05068	3.1
79.05497	44.9
81.03424	19.9
81.07061	95.9
83.04984	9.4
83.08199	1.6
83.08612	10.0
83.40546	1.6
85.02953	1.7
85.06551	10.5
89.03923	14.1
89.06043	16.3
91.05481	31.4
93.07050	73.0
95.04999	11.0
95.08614	44.3
97.06542	13.9
97.10159	2.2
98.21583	3.2
99.04451	2.0
99.08080	6.0
100.02476	4.5
105.07047	13.6
107.04968	6.7
107.08597	31.4
107.34725	1.8
108.12315	1.6
109.02878	4.1
109.06515	7.8
109.10156	5.1
109.98940	5.4
111.08070	7.6
113.05988	2.1
117.03387	25.5
117.07047	13.9
118.03542	3.3
119.08595	3.7
121.02861	2.4
121.06508	8.4
121.10152	14.6
123.08077	81.3
130.96349	8.4
131.08556	14.8
131.97479	2.1
133.02841	6.3
133.06505	3.7
133.08597	4.7
133.10126	20.2
134.03709	2.8
135.04419	11.7
135.08058	6.3
135.11697	32.8
137.09637	3.3
139.07542	2.7
139.11208	3.3
145.01775	3.2
145.02861	49.2
148.97369	8.0
149.05984	14.8
149.09598	4.1
149.13263	32.3
149.97205	4.6
151.11183	5.3
153.09114	1.8
153.97903	7.0
159.11696	23.5
163.03922	100.0
165.06996	2.7
167.08594	2.6
171.98936	8.6
172.98805	2.7
177.05479	67.7
177.09099	2.7
177.12766	18.8
177.16399	3.5
180.09227	2.0
186.05531	2.8
188.23625	2.1
195.02885	10.0
195.06528	4.3
195.08244	3.2
195.10133	3.0
195.11729	10.8
195.13820	31.8
195.15709	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	196.1697
Annotation	Calyxamine A
Peak:m/z	Relative Intensity
51.22795	0.4
53.03941	0.5
55.05496	1.3
56.05029	0.4
57.03429	0.4
57.07073	0.4
66.13096	0.3
67.05510	4.5
68.05021	0.4
69.03423	1.2
69.07059	1.7
69.96169	0.8
70.06590	2.5
70.20246	1.6
70.95853	1.5
72.93768	1.4
73.67374	0.4
73.70550	0.4
79.05492	2.0
80.05010	0.9
81.03416	0.5
81.06593	0.5
81.07058	7.1
82.06569	0.9
82.79614	0.4
83.04964	1.0
84.04498	3.3
84.08140	4.1
85.06553	0.6
91.05476	2.1
93.07034	2.8
94.06564	0.8
95.04976	1.2
95.08611	7.8
96.04446	0.6
96.08146	0.9
98.09698	18.0
98.20814	0.5
105.07024	2.9
107.08613	0.9
108.08132	0.7
109.10151	0.5
110.09677	1.1
111.22549	0.4
111.98470	1.7
113.96375	0.5
114.94742	0.4
117.63083	0.4
118.03690	0.8
119.08570	1.5
120.97166	0.4
121.10126	1.6
122.06019	1.1
122.09650	2.3
123.08098	0.6
124.07536	0.5
129.99536	0.7
131.96153	3.1
132.95865	3.5
134.55313	0.4
136.07591	0.9
136.11197	0.7
137.13280	0.9
138.09152	2.5
146.03166	2.1
147.04410	0.6
147.11691	1.4
149.11996	0.7
149.13208	0.6
149.97211	2.3
150.06477	0.5
150.09154	3.5
150.12769	1.4
150.96896	2.9
152.07034	0.6
152.10645	0.5
154.97763	1.0
155.97447	2.7
160.38689	0.3
165.12746	0.8
168.10181	2.7
168.17563	0.5
169.04958	0.5
172.98796	1.2
173.98520	3.0
176.14395	0.4
178.06021	2.6
178.08650	1.2
178.15913	3.9
196.09816	3.1
196.13327	2.9
196.16975	100.0
197.17294	0.7
213.93372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.63599	0.4
55.05508	0.9
55.10838	0.5
57.03404	0.6
59.04989	0.8
59.17453	0.5
65.03942	0.5
67.05499	1.5
69.03447	0.6
70.08694	2.3
70.95864	4.2
72.93797	2.1
79.05502	3.0
81.07057	2.1
83.04983	0.5
87.00122	0.5
91.05478	9.6
93.07052	7.4
95.04962	1.9
95.08598	1.5
98.21468	0.9
105.06315	0.6
105.07034	15.0
107.08598	100.0
109.06522	2.0
109.10167	4.9
111.98487	5.5
117.07044	0.8
119.04943	1.5
119.06073	1.1
119.08578	4.8
121.06502	2.0
121.10153	1.4
123.04403	0.7
123.08098	0.7
123.11729	1.2
129.99501	1.1
131.08575	1.7
132.95836	9.3
133.10136	52.7
135.11691	14.8
137.05972	1.4
137.09619	3.3
146.07214	1.2
149.09630	0.9
150.96899	5.3
151.03865	0.7
151.07520	0.5
151.11208	5.4
155.97423	7.0
161.09627	13.6
167.10666	3.0
169.05005	0.7
173.98509	7.1
179.03430	0.8
179.10677	25.4
193.79134	0.6
197.04552	1.0
197.11740	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01877	1.3
55.05497	2.3
57.21400	0.9
59.05010	2.1
59.57281	1.0
65.03933	1.1
67.05512	4.7
69.07065	2.2
70.95865	5.5
71.04975	1.0
71.17180	1.9
72.93778	3.1
79.05497	5.5
81.03390	1.2
81.07052	6.7
85.06531	1.1
91.05479	12.1
93.07050	20.7
95.04988	7.2
95.08592	3.7
99.10011	1.8
103.14196	1.0
104.97305	0.9
105.06325	0.9
105.07036	24.6
107.08600	55.8
107.70399	1.0
109.06512	3.5
109.10175	5.8
111.98483	7.6
113.05995	1.4
113.96405	1.1
117.07043	0.9
119.04964	2.0
119.06046	1.5
119.08577	5.8
121.06514	5.8
123.04431	4.0
123.11698	3.7
124.52844	1.0
125.53571	0.9
129.99539	1.2
131.08592	1.8
132.95828	12.0
133.10141	57.1
135.08089	1.5
135.11699	57.0
137.05980	3.4
137.09619	4.3
143.08582	1.6
146.07318	1.7
150.96938	8.5
151.03928	2.8
151.11171	4.4
155.97426	11.3
161.09624	26.5
173.98502	11.3
179.10681	93.0
197.11742	100.0
198.18558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63806	0.7
55.01877	1.7
55.05507	3.7
57.07076	2.4
67.01865	2.5
67.05506	9.0
69.03432	1.0
69.07072	3.9
70.69666	1.5
70.70007	1.2
70.95869	11.4
71.01356	100.0
71.04994	3.1
72.93788	4.9
79.05481	2.5
81.03389	1.1
81.07046	6.2
83.01333	4.1
83.04990	1.1
83.08612	6.9
85.06558	2.6
85.10188	10.5
89.15600	0.7
91.05467	2.7
93.07034	5.9
95.04979	6.0
95.08612	4.8
97.02909	0.8
97.06547	5.5
98.09708	0.9
99.10005	0.7
105.03392	1.5
105.07037	2.7
107.08595	18.9
109.10160	31.2
111.08067	6.0
111.98486	12.5
113.05992	1.0
113.09634	0.8
113.96456	1.2
119.08607	2.6
121.06523	1.4
121.10157	1.4
123.04446	6.2
123.11697	0.7
125.09644	13.6
127.11196	2.6
127.44302	0.7
129.99518	4.8
131.89171	0.8
132.94856	1.5
132.95840	26.2
133.02861	1.6
133.10144	5.2
135.11691	4.4
137.09595	2.7
139.07561	4.7
141.05472	1.5
150.96884	19.2
151.03934	8.2
151.11154	1.9
153.09071	1.0
155.10670	82.6
155.97423	20.2
158.77010	0.8
161.09644	2.1
161.13222	2.1
169.04973	8.9
169.10213	0.8
173.98509	19.4
179.03426	13.8
179.10689	8.2
179.14294	1.2
197.00053	2.2
197.04460	14.6
197.06133	1.5
197.11728	43.0
198.18509	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	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
50.03651	1.0
55.01860	3.1
55.05513	12.0
55.48235	1.0
59.04994	2.8
59.17462	1.0
65.03928	1.3
66.60705	1.0
67.05495	4.3
68.99781	2.6
69.03437	1.7
70.95863	15.4
71.16467	1.1
71.16818	2.0
72.93797	6.2
79.05482	4.4
81.07063	10.9
85.06543	1.7
90.94849	1.6
91.05484	16.2
91.39832	0.9
93.07050	19.1
95.04973	7.5
95.08581	3.0
97.06503	4.0
99.04450	5.1
105.03397	1.2
105.07032	26.3
107.08597	51.6
109.06513	6.5
109.10172	5.9
111.98473	17.2
113.96425	1.8
119.06066	1.8
119.08585	5.7
121.06496	6.3
123.04424	3.2
123.08101	1.5
123.11688	4.1
125.05989	41.7
125.09566	1.3
127.03931	15.5
128.06155	1.7
129.99507	4.5
131.08546	1.9
132.95839	34.2
133.10136	56.5
135.11696	50.0
137.05986	33.8
137.09625	5.3
143.08578	2.3
146.07237	1.7
150.96877	19.2
151.03918	1.8
151.11208	6.4
153.09164	2.5
155.97420	26.3
161.09628	32.4
173.96970	1.8
173.98494	31.2
179.10677	100.0
184.53397	1.2
197.04512	1.7
197.11739	84.2
198.18582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.78203	0.6
53.03957	1.6
55.01865	0.7
55.05513	25.0
57.03447	5.4
57.07076	2.7
59.04992	0.9
65.03954	0.8
67.05511	28.1
69.03442	1.4
69.07073	28.2
70.95880	1.0
71.05000	11.9
71.08659	0.8
71.29205	1.1
73.06570	1.3
79.05496	18.1
81.07062	78.7
83.04982	6.4
83.08147	1.4
83.08627	21.4
85.06553	14.0
87.04489	0.9
91.05486	17.2
91.06026	1.3
93.07049	20.4
95.04960	1.6
95.08614	100.0
97.06544	20.4
97.10171	10.3
99.08103	5.8
101.06030	1.7
105.07039	28.4
106.90844	0.8
107.08601	13.8
109.06522	5.4
109.10162	8.0
111.08084	4.3
111.98487	1.0
113.05995	1.1
113.09653	2.8
115.07577	2.7
117.07030	1.5
119.08591	44.6
121.10152	14.6
123.08083	8.9
123.11755	1.2
126.73930	0.6
127.07589	1.8
132.95857	1.5
133.09116	1.3
133.10144	31.2
135.11697	23.7
137.09592	3.6
137.13266	32.6
141.09108	2.0
151.14827	1.6
155.97481	2.0
159.11723	1.1
161.13266	93.1
161.41452	0.7
179.14323	52.6
197.15384	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	197.1539
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.72758	0.7
53.03936	1.3
55.01866	3.0
55.05512	26.8
57.03432	3.6
57.07070	2.9
58.55180	0.7
59.04977	0.7
65.03940	1.0
67.01891	0.8
67.05508	32.9
69.03426	1.3
69.07072	27.3
70.95881	3.8
71.04998	11.3
71.29475	1.1
71.77483	0.7
73.06557	2.1
79.05495	16.0
81.07059	85.5
83.01348	0.9
83.04968	6.8
83.08622	22.7
85.06072	1.5
85.06545	13.9
86.96020	0.9
91.05486	18.9
93.07044	24.6
95.04961	2.7
95.08611	100.0
97.06541	22.8
97.10186	10.3
99.08098	5.7
101.06005	1.7
105.07039	28.1
107.08601	12.0
109.06535	4.6
109.10162	7.6
111.08092	5.5
111.98486	4.6
113.09682	1.4
115.07597	2.4
119.08588	40.8
121.10149	14.4
123.04408	1.7
123.08072	9.1
123.11736	1.1
125.09683	0.8
127.07565	1.9
130.66876	0.8
132.95859	8.8
133.10136	29.3
135.03410	0.8
135.11691	24.1
137.09624	3.7
137.13260	30.0
141.09081	2.4
150.96901	6.5
151.03932	3.4
151.11156	1.5
151.14803	1.2
155.97429	6.2
161.13264	79.7
169.04956	2.0
169.84651	0.9
173.98459	5.0
179.03355	4.2
179.10774	1.3
179.14320	49.5
193.60808	0.9
197.00131	0.8
197.04396	3.8
197.11676	2.1
197.15373	12.0
198.18591	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	199.1331
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03930	0.9
54.15546	0.7
55.05514	18.8
57.07080	9.3
64.88497	0.7
67.05504	2.5
68.53580	0.7
69.03422	1.6
69.07064	3.7
69.17779	0.7
69.37950	5.5
71.05002	1.0
71.08624	0.7
74.09720	7.1
79.05505	2.8
81.07064	5.2
83.04988	8.6
83.08625	1.8
85.06533	6.0
91.05478	1.5
93.07053	9.1
95.04983	1.5
95.08614	9.8
97.06554	4.4
98.97610	2.4
100.07613	1.9
105.07020	3.1
107.08604	16.2
109.06520	3.3
109.10173	3.3
111.04448	100.0
111.08104	2.2
113.00877	0.7
113.06013	1.9
114.15721	0.8
116.96497	0.7
116.97236	5.0
116.98621	0.8
117.06979	1.2
121.06517	1.9
121.10125	2.3
122.07330	1.3
123.08081	1.6
125.06003	27.4
127.07557	2.1
130.07814	1.0
131.09830	0.7
131.99564	2.0
134.95909	0.9
135.08061	14.3
135.11705	19.6
137.13264	1.6
139.07555	2.6
145.10124	17.1
148.96237	1.1
152.96904	2.0
153.12735	4.8
163.11189	21.1
175.98572	5.4
181.12241	36.2
199.13179	1.3
199.14885	1.0
199.18915	24.7
219.26730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.8
56.05037	34.5
56.96577	6.7
57.03432	15.1
58.99851	12.2
59.05006	4.1
60.99623	3.3
61.01115	4.0
61.02921	11.3
67.05501	7.9
68.05029	7.5
68.98281	5.2
69.03427	14.4
70.06596	49.6
70.99861	15.5
71.04996	5.0
71.51572	6.0
72.08160	21.8
72.91680	3.2
73.01427	8.7
73.02921	14.1
74.02448	8.0
74.06091	6.0
77.00912	13.5
81.03421	7.1
81.07062	4.1
82.01428	20.0
82.06583	4.9
82.99791	3.7
83.06114	7.9
84.01199	8.1
84.04512	52.0
84.08136	27.8
85.02906	19.3
86.06084	4.2
86.09717	14.1
89.00893	7.4
91.02451	9.7
95.05003	4.0
97.02867	18.2
98.06058	5.0
98.09693	5.7
98.97584	15.6
99.04492	3.5
100.02487	51.3
100.07639	4.3
101.00898	31.0
102.02229	24.7
102.05547	13.7
105.00376	3.9
105.02209	13.1
108.04490	4.1
108.08111	9.3
109.03522	6.8
110.06006	5.0
110.07178	15.3
113.00872	4.6
114.04034	4.8
114.05520	8.8
115.02393	6.7
116.07124	5.7
116.97226	3.8
116.98642	11.4
117.97636	4.4
118.03542	20.6
118.96732	5.3
119.01930	92.8
120.02042	18.0
120.03284	13.0
121.01678	6.2
121.07652	3.6
123.03222	12.3
124.02414	4.1
126.09152	19.5
126.98803	29.4
127.03923	5.8
127.08673	6.1
128.07048	5.6
129.06622	4.2
129.10258	11.5
131.01932	22.2
133.01653	7.9
133.03497	8.6
134.99734	8.4
136.06192	59.4
136.07556	15.4
137.02992	19.9
137.05904	4.2
139.07391	4.7
139.08624	4.9
140.07011	7.5
142.03517	15.5
143.01910	4.9
144.99843	62.5
145.03461	6.5
146.02478	3.6
146.03670	4.0
146.04819	5.3
149.01183	9.0
149.02962	4.5
150.00418	8.0
153.07382	4.5
153.96689	6.1
154.03468	6.3
154.08638	38.1
154.09769	15.2
154.12289	14.9
154.61057	4.0
155.11826	3.8
156.07703	5.4
157.09697	5.4
159.01375	12.1
160.04639	4.6
161.02957	5.5
163.00906	10.4
163.02695	6.6
168.01434	73.9
172.02785	18.0
172.04668	3.7
172.06281	7.0
172.09662	4.4
173.02927	4.6
176.04086	11.2
177.00859	6.3
177.02441	100.0
177.03963	3.5
182.03038	8.8
182.04539	7.6
182.08035	7.8
182.11729	19.6
183.08478	30.0
183.11269	5.8
186.02585	8.4
195.03526	15.1
200.04070	79.7
200.05641	4.2
200.09203	12.1
200.10840	8.5
200.12753	48.8
200.14233	4.8
203.03909	4.2
204.04288	4.9
218.05104	9.7
218.08827	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	200.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	8.6
56.96552	3.7
57.03427	3.1
58.99860	1.9
61.02906	1.3
67.05500	1.3
68.05035	1.5
69.03420	3.1
69.07063	1.6
70.02951	1.4
70.06594	9.7
70.25241	2.3
71.04999	1.5
72.08147	2.4
73.02905	2.8
73.06500	1.0
74.02439	2.8
74.06071	2.6
79.01854	3.4
81.07050	1.5
82.01447	9.4
82.06567	3.9
84.01203	1.9
84.04513	6.4
84.08143	4.9
85.02914	5.5
85.26033	0.8
86.06067	4.8
86.09708	3.0
87.01149	1.4
87.04459	4.2
87.68042	1.0
88.93044	0.9
94.99834	1.3
95.08593	1.0
96.08131	1.2
97.01366	0.9
97.02885	4.0
97.06509	2.5
98.06050	0.9
98.09737	1.1
98.97593	38.4
99.08110	1.0
100.02493	17.3
100.06982	1.9
100.07620	27.4
101.00880	10.3
102.02239	6.4
102.05572	5.7
103.00630	2.8
105.02222	5.4
105.02795	0.9
107.01299	1.2
110.01316	1.3
110.07178	1.8
110.97584	1.0
112.07597	1.8
113.00864	20.6
114.09186	2.0
114.98299	2.0
115.00562	1.0
115.02444	2.8
116.07101	1.7
116.97243	2.4
116.98622	22.0
117.97581	1.5
118.03526	7.7
118.96748	1.9
119.01921	24.0
119.02724	1.8
120.03260	2.3
121.01688	3.8
123.00533	0.9
123.03187	2.0
125.02396	1.7
126.09158	3.0
127.02441	1.0
128.07086	75.7
129.10237	3.8
131.01917	86.4
132.95897	1.0
133.01689	2.5
133.03479	7.2
134.99677	8.2
136.02472	5.0
136.06187	23.8
136.07265	1.7
136.95416	0.9
137.02963	5.1
140.00244	1.2
140.03394	1.4
140.07062	1.0
141.00293	1.3
142.03557	1.2
143.03407	1.7
144.02045	1.7
145.01607	7.8
146.02327	1.8
148.97696	0.9
149.02960	21.5
151.04521	2.8
153.01851	25.4
153.02997	2.3
153.96657	1.7
154.02159	5.0
154.03493	65.3
154.08643	6.7
154.09740	2.0
154.12253	4.4
155.02202	1.2
156.03210	1.8
156.05055	11.6
156.10211	1.3
158.01295	1.4
159.01410	9.8
160.01581	1.0
161.02914	2.7
162.03249	1.2
163.02675	9.4
164.09023	1.1
168.88741	0.9
172.02774	5.0
172.04568	18.0
172.33545	0.9
173.02921	3.1
174.06125	5.4
175.11913	1.0
175.98558	1.6
176.98605	4.0
177.00777	2.9
177.02449	50.5
177.98097	1.7
182.02995	39.4
182.08133	2.4
182.11746	1.7
183.08502	9.5
183.11310	1.1
191.03978	3.4
195.01869	1.8
195.03484	14.3
200.04054	100.0
200.09180	4.0
200.11081	1.6
200.12790	11.8
200.19084	2.7
201.00726	1.9
201.02458	10.7
201.04176	2.4
205.03784	1.2
218.05122	23.5
219.03523	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	201.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39606	0.4
55.01878	1.2
55.05511	1.1
56.05041	2.0
57.03445	0.9
58.06572	0.4
59.93100	1.5
60.04515	0.4
61.07433	0.4
65.71718	0.4
67.05516	0.5
67.26624	0.4
67.59081	0.4
68.05036	1.0
69.07081	0.8
69.88895	2.0
70.06593	3.7
70.99849	0.4
72.08161	3.2
73.02916	0.8
74.06056	0.5
77.94162	0.6
81.07034	0.7
82.06555	0.5
82.99833	2.8
83.01501	0.5
83.04972	0.5
84.04520	3.6
84.08141	3.1
85.02911	1.4
86.06067	0.7
86.09703	2.3
97.02898	0.7
98.06049	0.4
98.97581	1.7
100.02511	0.7
100.07609	1.1
100.95683	0.5
101.00883	37.1
101.02521	1.2
102.02180	0.4
102.05512	1.0
110.09661	0.8
111.00385	0.5
113.00868	7.3
114.00982	1.0
114.05508	1.1
116.07069	0.8
118.96779	12.1
119.01926	100.0
120.02052	1.0
124.02473	0.5
127.03914	1.1
128.07076	1.5
129.07411	1.8
129.10254	1.4
130.05026	1.6
130.08652	0.4
131.01912	36.0
132.01990	5.0
133.03461	1.5
133.99088	2.8
134.03612	0.7
136.06204	2.9
136.95442	1.7
137.02968	27.7
137.09592	0.4
138.03053	0.7
138.09129	0.6
141.10066	0.4
142.03461	2.2
142.04996	1.0
143.01869	0.7
145.03471	3.5
149.01843	0.8
149.02962	10.5
150.03108	1.3
150.95699	0.9
151.04544	0.9
154.03435	0.6
154.52769	0.4
154.96448	3.0
155.01939	2.1
155.03639	4.2
157.03510	0.5
157.05237	0.9
159.01372	0.6
159.97028	0.8
160.01631	0.8
160.04590	0.8
161.03014	0.7
163.04503	1.3
168.72520	0.4
173.02975	17.2
173.04662	1.5
173.12808	1.0
175.11873	0.5
177.02464	2.6
177.98073	9.9
178.02599	4.0
179.03990	1.1
183.01407	2.0
183.03148	3.4
184.09706	1.0
191.04021	13.1
196.03532	0.6
201.02473	65.2
201.04199	8.4
201.12575	0.5
201.16232	0.4
202.02544	0.7
219.03508	71.9
219.65826	0.5
220.03751	0.8
224.04063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0395
Annotation	cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate
Peak:m/z	Relative Intensity
53.00317	0.3
53.03949	1.9
55.05529	0.4
66.40458	0.2
67.01865	3.1
68.99801	3.0
69.03468	0.2
69.07089	0.3
70.06606	0.9
70.18502	0.5
71.04983	0.6
73.02930	0.3
81.03420	4.3
81.07076	0.7
85.02911	0.4
85.06596	0.2
86.09710	2.1
89.40551	0.2
91.05495	0.7
93.07045	0.4
95.01362	0.4
95.05003	0.3
95.08619	0.8
97.06553	0.3
98.97625	0.4
99.04427	0.3
103.05538	0.3
109.02889	7.5
109.03602	0.5
109.06512	0.4
111.04436	0.4
113.02413	0.3
114.09161	0.3
118.96762	1.8
119.01310	6.2
119.08646	0.4
127.03932	8.5
130.06531	0.6
133.99071	0.4
136.95366	0.4
137.02347	14.4
137.09663	0.5
139.09508	0.5
140.84808	0.3
141.01848	0.9
145.06483	0.7
147.00778	14.6
154.96446	0.4
155.03404	17.3
159.02884	0.3
159.11684	0.5
165.01848	37.5
166.02161	0.4
171.09230	0.5
173.06035	0.4
177.98070	1.9
180.00581	0.8
183.02901	60.4
184.03329	0.4
186.11516	3.9
201.03947	100.0
201.13887	1.5
201.16219	0.4
202.04321	0.7
209.48436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05513	6.1
56.04756	0.8
56.05039	17.1
57.98793	0.8
58.99591	24.0
61.01163	0.8
68.05020	1.1
69.07085	0.7
71.18605	1.2
73.13761	0.6
74.00661	1.9
76.02235	7.0
79.05497	29.9
80.05045	1.2
81.07059	21.5
81.07533	1.2
82.06580	7.5
85.01134	100.0
86.00655	14.2
86.99057	16.6
88.02241	3.2
88.03998	2.2
94.06545	1.4
95.04980	1.7
96.08149	2.3
97.08928	7.0
98.09696	29.8
100.02222	1.5
105.00101	8.9
105.07023	1.1
110.09693	1.6
113.04237	54.4
114.04568	0.7
120.01173	2.8
122.09664	1.8
131.01639	1.9
132.01166	15.8
139.05769	1.5
148.27084	0.7
156.08437	8.7
159.04761	1.6
178.35651	0.6
185.06331	8.7
202.08961	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	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.75668	0.9
55.05511	6.8
56.05041	16.4
57.98788	2.1
58.99591	22.6
69.53365	4.2
69.53779	2.4
74.00644	1.3
76.02238	8.1
79.05493	30.3
81.07057	20.2
82.06582	7.7
85.01132	100.0
86.00645	13.5
86.99053	17.5
88.02195	3.0
88.04005	3.1
94.06628	0.9
96.08125	2.1
97.08929	7.8
98.09696	31.3
98.21485	2.2
100.66747	1.0
105.00105	6.0
110.09628	1.7
111.64523	1.0
113.04234	57.5
120.01163	2.9
122.09698	2.1
131.01619	1.0
132.01166	17.3
140.12515	0.9
149.19122	0.9
156.08453	9.0
159.04767	2.6
185.06302	9.9
202.08980	24.8
211.88925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
53.69722	0.5
55.01862	0.8
55.05510	7.0
56.05039	14.1
58.99591	22.9
68.05025	0.8
70.06590	0.6
71.18694	1.1
74.00660	1.5
74.72698	0.5
76.02230	6.2
79.05499	30.0
80.05023	0.9
80.06245	0.7
81.07063	21.3
82.06583	8.0
85.01133	100.0
86.00659	14.9
86.99059	14.4
88.02232	2.3
88.03996	2.5
94.06541	0.8
95.04986	0.6
96.08136	2.3
97.01093	0.8
97.08925	6.9
98.09698	30.3
100.02200	0.8
105.00089	7.9
105.04520	0.8
105.07033	1.3
109.87673	0.6
110.09661	1.2
113.04237	48.2
120.01167	3.1
122.09677	2.1
126.16087	0.6
131.01631	1.6
132.01157	14.8
139.05751	0.7
156.08434	8.6
159.04749	0.9
185.06323	7.5
202.08969	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	204.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01675	0.7
55.01880	6.9
55.05518	28.6
56.05029	1.7
57.07082	4.2
57.98804	1.5
58.99594	54.7
60.04229	0.8
60.04528	15.5
61.00874	1.0
61.01151	8.9
67.05483	1.3
68.05019	1.4
69.03401	1.1
69.07056	3.6
70.06590	1.9
70.96638	1.7
72.04511	0.8
73.01149	18.7
73.02893	0.9
74.00665	4.8
75.21467	0.8
76.02237	20.5
79.05502	9.2
80.38502	0.8
81.07066	57.4
82.06583	1.1
83.08630	12.7
84.04487	2.3
85.01143	4.8
85.02879	1.9
85.06546	1.0
86.99063	38.3
87.02680	3.1
88.02206	3.6
88.04008	4.3
93.07014	0.9
95.85275	0.6
96.04491	3.2
97.02890	2.7
98.09740	0.8
99.02672	3.6
100.11268	100.0
105.00101	18.8
107.08603	2.5
112.11209	1.6
113.04221	2.0
114.05583	1.5
115.05806	18.0
115.06612	1.0
116.05331	8.8
120.01158	1.7
124.11237	2.0
126.05524	5.0
127.03873	0.8
132.82622	0.7
138.05527	0.9
141.07312	7.0
144.06473	0.8
145.04971	1.1
149.02364	1.2
158.10008	35.3
159.95047	0.7
160.97806	0.7
186.07663	1.7
187.07901	86.9
189.11426	0.9
204.08698	8.3
204.10538	66.4
204.13812	5.9
204.19649	1.8
214.03702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03967	0.8
55.01886	0.6
55.05516	6.2
55.63582	0.5
57.02087	0.5
57.07083	10.1
60.04513	0.6
61.37833	0.5
65.03947	4.5
67.05509	4.5
69.03416	0.8
69.07069	10.4
71.08621	0.5
71.10091	0.5
79.05499	6.8
81.03417	1.0
81.07063	37.3
82.14305	0.6
82.58971	0.6
83.08622	4.9
85.02911	1.1
91.05488	3.9
93.03383	0.8
93.07050	32.4
95.04984	0.7
95.08614	19.1
96.81934	0.6
97.02900	2.5
97.10171	4.2
98.20768	1.1
99.04501	0.9
105.07038	3.7
107.08601	21.8
107.09309	1.3
109.02892	2.4
109.10161	15.1
111.11721	2.1
113.96459	0.8
119.08580	0.9
121.02887	7.9
121.04006	2.2
121.10152	89.2
123.11716	11.1
131.08621	0.7
135.11707	17.1
137.07898	0.6
137.13287	0.8
149.02354	100.0
149.13272	33.6
163.14819	3.1
166.99852	0.6
167.03426	1.5
170.75906	0.5
187.05930	0.6
203.86719	0.5
205.12175	0.6
205.14177	0.9
205.19527	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.58963	0.4
52.29574	0.4
53.03929	0.9
55.05511	4.8
57.07079	5.8
60.04528	0.6
60.12136	0.4
65.03937	0.7
65.96865	0.4
67.05511	6.7
69.03416	0.5
69.07070	6.3
69.14327	1.3
69.14745	2.9
71.51425	0.4
73.02909	0.4
77.24501	0.4
78.95276	0.5
79.05499	7.0
81.03416	1.3
81.07063	24.2
83.08601	1.1
85.02915	1.0
91.05462	1.9
92.55011	0.4
93.07053	19.7
95.08611	10.8
97.02893	4.1
97.10173	3.8
99.04449	0.9
105.07027	1.4
107.04987	0.7
107.08602	19.0
109.02891	2.3
109.10165	12.7
111.11727	0.5
113.96442	0.7
119.08631	0.7
121.02872	1.4
121.03952	0.4
121.06576	0.5
121.10149	5.7
123.11716	100.0
124.12032	0.6
127.03918	1.3
131.08601	0.7
131.95511	0.5
134.28226	0.4
135.11700	49.5
136.12045	0.5
145.10074	0.6
149.02354	15.4
149.13275	14.5
163.14882	1.2
179.69228	0.4
181.63911	0.5
187.11322	0.6
187.14781	0.5
188.07016	0.5
205.08630	0.7
205.10490	0.5
205.12314	1.3
205.14264	1.2
205.15926	1.4
205.19540	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.24043	0.2
56.69718	0.2
56.96563	0.5
57.19962	0.2
57.85256	0.2
66.94037	0.3
68.99783	0.3
70.95435	0.4
70.95756	0.4
71.41559	0.3
74.58681	0.3
75.98035	0.3
81.75273	0.3
95.40004	0.3
104.05012	0.4
105.04215	0.3
119.06896	0.6
123.04429	0.9
132.04456	19.8
133.08403	0.3
139.03877	0.5
145.08456	0.5
146.05995	0.5
147.06387	1.4
151.03870	0.4
160.03908	1.4
178.04997	100.0
179.00169	0.6
179.05350	0.6
183.03087	0.6
189.07413	2.5
191.14264	0.4
192.03654	0.5
197.01260	0.3
206.04491	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
68.99794	0.6
69.03423	0.2
69.99709	0.9
70.02955	1.0
87.00837	2.3
90.05598	0.2
91.05486	2.0
93.07043	2.0
98.97579	0.2
103.05473	12.4
104.04910	0.2
105.07030	0.3
118.06551	16.0
120.08112	100.0
121.08474	0.3
128.04974	1.7
144.08118	0.2
146.06018	13.3
160.07591	0.3
161.06023	0.2
164.11522	0.3
165.05469	1.3
175.45285	0.2
188.07079	11.9
191.14363	0.3
194.44612	0.2
206.08136	6.7
207.06555	0.7
207.13855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
56.73276	0.1
56.96571	0.2
68.99792	0.4
69.51810	0.4
69.52224	0.6
70.02966	0.7
77.29478	0.1
78.58110	0.2
79.05509	0.3
81.03389	0.2
81.07069	0.2
87.00829	2.3
88.02216	0.2
90.05540	0.2
91.05479	2.2
93.07053	2.2
94.45295	0.2
95.04947	0.3
97.02888	0.2
103.05472	12.7
104.05022	0.1
105.40979	0.1
110.03230	0.2
116.98690	0.2
118.06554	16.6
119.04980	0.2
119.07367	0.3
120.08113	100.0
121.06519	0.3
121.08466	0.6
128.04994	1.6
145.06508	0.3
146.06020	13.6
150.02620	0.3
160.07536	0.2
160.59671	0.2
161.06000	0.2
165.05481	3.4
188.07080	12.5
206.08138	7.1
206.15428	0.3
207.06517	1.5
207.13765	0.3
224.13487	0.2
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
55.01866	0.5
55.05504	0.3
56.96304	0.4
56.96568	7.3
57.07059	0.3
60.04519	0.4
65.03938	0.3
67.05489	1.1
68.99783	1.1
69.03424	0.4
69.07051	0.4
69.82767	1.3
70.06586	0.4
71.04988	0.3
73.02949	0.4
79.05503	0.3
80.05014	0.3
81.03397	0.5
81.07043	0.5
83.04978	0.5
85.02897	0.5
88.02188	0.4
89.06013	0.3
90.05527	0.7
91.05479	2.0
92.05021	0.3
93.07044	0.9
94.07365	0.5
95.04959	1.2
97.02907	0.4
97.06498	0.5
98.03192	0.3
98.97593	0.5
99.01009	0.9
103.05456	0.4
105.07013	1.2
107.00709	0.2
107.04956	0.4
107.08584	0.9
108.01551	2.0
108.51669	0.3
110.03693	0.6
111.04453	0.6
115.05460	0.6
116.05312	0.3
117.02050	0.5
117.05737	0.2
117.07019	0.9
118.06550	6.5
119.04944	1.1
119.06557	0.4
119.07347	5.0
119.08522	0.4
120.08163	1.7
121.06501	1.2
122.06838	1.4
122.71751	0.3
123.04433	10.6
123.08060	0.3
124.04790	0.3
128.06245	0.3
132.04420	0.5
132.08102	1.5
133.06604	0.3
133.08920	0.6
134.09659	27.1
139.03906	7.9
140.04277	0.4
140.32393	0.3
143.03551	0.4
143.04895	0.5
144.08113	0.4
146.05989	0.8
146.08168	0.3
146.09587	0.5
147.04395	2.5
149.02365	0.7
150.03146	2.7
151.03918	12.0
152.04207	0.7
153.02107	0.5
160.02841	1.2
160.11183	1.8
160.99088	1.2
161.05983	1.5
161.12016	1.7
163.03954	0.3
165.01993	1.9
165.05478	0.6
165.99399	0.3
169.03358	1.2
174.02553	7.6
174.52769	0.4
175.03938	0.4
178.05049	1.3
178.08612	0.5
179.00168	6.5
179.06935	0.4
180.98482	0.3
181.01740	0.3
181.06462	0.3
183.03099	12.7
183.34891	0.3
183.53246	1.0
184.00401	0.4
185.01176	0.6
185.53372	0.8
188.09183	0.6
189.05495	0.5
189.07301	0.3
190.08636	4.8
191.09467	2.3
191.14288	1.4
192.03578	2.0
192.53743	0.3
194.53870	0.8
197.01227	11.9
198.01553	0.7
201.00595	0.4
206.11766	100.0
207.06534	0.9
207.12074	0.9
207.13921	0.6
209.01227	1.0
210.01935	0.5
215.02283	2.1
220.02861	0.6
222.99104	0.3
225.00652	0.3
227.02238	3.0
228.02719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.00317	0.9
53.03937	0.7
55.05503	0.8
65.03943	6.6
67.05510	1.3
69.03421	0.9
69.07066	1.0
70.77390	1.6
71.05000	0.7
77.03929	2.5
79.05495	2.6
80.06281	0.8
80.94969	0.6
81.07064	1.8
83.04982	1.0
85.02902	1.1
87.16948	0.5
87.21825	0.6
89.03918	4.3
90.04726	0.9
91.05486	81.2
93.03386	1.3
93.07053	3.0
95.04961	1.0
95.08605	2.4
96.54218	0.6
103.05466	1.9
105.03391	1.8
105.04517	1.0
105.07021	3.0
107.04967	2.0
107.08595	1.7
108.05770	1.0
109.06551	1.5
109.10127	1.0
115.96429	0.8
117.03397	1.2
118.04173	6.2
119.04950	84.1
119.08608	3.2
121.02889	2.0
121.06571	0.7
121.10153	2.2
121.97570	1.0
123.04350	0.8
123.08090	2.5
123.11735	0.9
129.03383	1.0
129.07024	0.6
131.04927	0.8
132.02080	6.4
133.02834	1.5
133.06529	1.4
133.10100	1.0
134.03668	1.1
135.04433	2.9
136.05183	3.6
137.09581	0.9
143.08618	0.7
145.02870	1.8
146.03627	3.7
147.04420	66.2
147.11700	3.2
149.02367	7.0
149.05981	0.7
149.09665	2.9
150.03116	0.7
151.07545	3.5
156.09306	0.8
157.02809	0.9
157.03996	9.1
161.13272	1.6
162.03149	0.9
163.03882	1.0
163.11230	0.8
164.04710	6.2
165.12752	1.5
165.96513	1.2
171.11688	0.9
174.03119	3.8
175.03918	100.0
176.04323	0.8
177.01904	1.0
179.07056	7.6
183.97604	1.3
189.12708	3.4
192.04184	10.0
207.06538	56.3
207.13812	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.68416	1.0
55.05505	2.5
57.03424	1.4
57.07073	1.4
59.04983	2.1
65.03944	1.9
67.05511	5.7
69.03448	2.3
69.07078	5.9
70.18217	1.1
70.18562	3.9
71.04996	2.7
73.67103	1.1
79.05480	3.9
81.07058	19.7
83.04988	2.0
83.07632	0.9
85.02909	93.4
85.06506	1.5
85.35695	1.0
91.05483	26.9
93.07062	5.2
95.04960	3.9
95.08600	7.4
96.14620	1.0
97.06525	0.9
105.07030	21.4
107.04939	1.8
107.08584	10.5
109.06528	12.0
109.10164	14.8
111.04476	1.1
111.08090	1.4
114.19360	1.0
117.07001	3.3
118.04144	1.9
119.04957	19.4
119.08583	20.9
120.08109	1.4
121.06561	1.2
121.08432	1.9
121.10136	13.1
123.04411	1.4
123.08084	9.6
123.11717	58.7
125.05994	9.6
130.07751	1.6
131.08582	5.7
132.02084	2.1
133.06493	2.2
133.10107	3.7
135.08029	3.2
135.11641	1.9
137.05992	18.5
137.09610	1.1
139.07536	1.2
141.05470	1.3
143.08565	2.6
145.10110	9.7
147.04411	12.5
147.08066	4.6
147.11684	24.8
149.02281	1.8
149.09634	14.0
150.10432	1.4
151.07527	7.2
156.09380	5.3
157.04024	1.7
161.09593	1.7
161.13257	3.7
163.11203	3.4
164.04803	1.4
164.21695	1.0
165.12784	11.5
169.08606	1.8
171.11696	4.4
174.03041	1.5
174.10371	1.9
175.03908	20.6
179.07086	2.2
183.97511	0.9
189.12747	18.1
192.04205	5.9
207.06546	13.3
207.13808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.03923	1.0
55.05511	1.8
59.04972	1.2
63.86806	1.0
64.61706	1.1
67.05509	4.8
69.03423	3.7
69.07069	1.1
69.51005	3.1
69.51430	3.7
71.04978	1.9
76.68179	1.0
79.05492	5.5
79.05873	1.0
81.07059	12.1
83.04964	1.6
85.06541	2.1
91.05474	5.7
93.07062	4.8
93.07561	0.9
95.05000	4.8
95.08616	13.4
97.02884	1.1
105.07036	12.6
107.04945	1.1
107.08595	21.4
109.06521	14.6
109.10154	2.9
119.08576	5.9
121.06520	2.4
121.10152	6.8
123.08070	14.0
123.11699	3.7
128.24538	1.1
129.07011	1.3
131.08566	3.8
133.06467	4.1
133.10127	2.4
134.54442	1.2
135.11674	1.3
136.08846	2.3
137.09581	2.5
143.08568	1.1
145.10172	1.2
147.11682	12.8
149.09631	18.0
151.07552	100.0
156.09326	2.5
161.13277	2.7
165.12773	9.3
171.11700	3.5
174.10384	1.2
176.08279	3.3
189.12787	8.3
190.55563	1.1
207.09933	2.4
207.11920	1.1
207.13799	32.3
207.17056	1.2
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
53.03944	1.0
55.05508	4.5
57.07070	3.0
59.04996	1.0
62.02869	0.8
65.03936	1.9
67.05509	25.1
69.03421	3.1
69.07061	2.1
69.20499	0.7
70.28323	3.0
71.04996	1.5
79.05490	3.3
81.03362	0.8
81.07067	4.7
83.04987	3.1
85.06556	10.5
91.05476	6.1
93.07048	11.1
95.04969	3.1
95.08613	100.0
97.06545	1.5
105.07039	12.5
107.05006	0.7
107.08604	14.9
107.09320	1.4
109.06535	4.7
109.10183	2.1
111.08042	0.7
113.06010	6.3
117.07081	1.2
119.08595	18.1
120.08159	1.1
121.06535	2.9
121.08537	0.7
121.10129	11.5
123.08074	45.8
123.11740	3.5
131.08557	4.4
133.06517	1.1
133.10144	4.8
135.08081	4.3
135.11719	6.5
137.06020	1.9
137.09634	3.4
139.07558	1.0
143.08647	1.2
144.28886	0.9
145.10139	2.1
147.08066	5.3
147.11687	9.9
149.09628	25.6
151.07602	1.4
151.14822	3.8
156.09346	2.4
160.08923	0.7
161.09691	0.9
161.13260	13.0
163.11206	2.6
165.05458	3.6
165.09230	2.1
165.12755	8.2
171.11723	4.2
174.10501	2.0
179.14400	2.3
189.12784	15.7
207.06520	1.8
207.13812	23.8
220.04413	0.9
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
55.01878	6.5
55.05511	2.2
62.68044	0.7
67.05516	2.0
69.03424	1.0
69.07070	3.6
69.94553	3.0
69.94955	1.5
71.04998	1.5
79.05492	2.1
81.07063	5.4
83.04992	1.2
85.06504	1.1
91.05475	7.0
93.03419	2.5
93.07063	5.2
93.07608	1.0
93.44651	0.7
95.04964	2.5
95.08610	2.8
97.06512	1.3
99.04453	2.1
103.05481	0.9
105.07043	15.5
107.04971	1.4
107.08620	6.6
109.06522	6.4
111.04449	0.8
117.06981	1.0
119.04964	10.4
119.08589	41.2
121.06553	1.4
121.10151	10.7
123.08081	3.2
128.06184	1.2
129.07057	1.7
130.07802	1.3
131.08562	4.1
133.06509	7.2
133.10149	8.4
135.08104	1.0
137.06071	0.8
143.08607	2.2
145.10132	23.8
147.04387	0.8
147.08031	7.7
147.11702	39.9
148.08818	4.2
149.09644	5.6
151.07568	6.6
156.09329	3.8
157.06583	1.0
159.08151	0.8
161.09662	1.1
161.13261	6.9
163.11194	70.4
165.12785	3.5
171.11710	8.9
174.10374	1.4
187.03947	0.8
187.75870	0.7
189.12762	100.0
207.06575	1.9
207.13821	71.7
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
52.07164	1.5
55.05504	4.0
57.03436	1.6
57.07076	2.4
58.09946	1.5
59.04994	3.7
67.05485	4.1
68.68715	1.4
69.03432	16.4
69.07062	4.3
70.25962	4.8
71.04977	4.1
71.47899	1.4
79.05479	4.7
81.07053	6.2
83.04971	2.7
83.97741	1.4
91.05486	14.0
93.07040	12.5
95.04960	3.9
95.08620	8.2
100.52426	1.9
103.05443	1.6
105.07037	45.9
107.08611	12.8
109.06535	24.4
109.10131	2.5
111.08096	3.3
116.06207	1.6
117.07021	4.3
119.04944	6.2
119.08582	36.7
121.06518	3.0
121.10148	59.2
123.07217	2.2
123.08073	20.6
123.11700	3.1
128.06223	1.6
129.07001	7.8
131.08580	26.0
133.06541	11.6
133.10149	12.8
137.05949	3.1
137.09631	5.1
137.13177	1.9
142.07845	2.1
143.08588	8.3
145.10121	8.2
147.04407	3.3
147.08034	17.8
147.11693	15.0
149.09628	69.4
151.07552	86.9
156.09373	16.9
159.11703	4.4
161.09625	3.5
161.13272	27.6
163.11249	11.2
165.12730	10.3
171.11697	35.0
174.10370	3.0
189.09152	3.9
189.11076	3.3
189.12744	48.1
196.62325	1.9
207.06522	3.4
207.13809	100.0
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	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02374	0.6
53.03931	1.7
55.01877	4.3
55.05519	4.2
56.96562	0.5
57.03425	1.5
57.07060	1.4
59.04992	0.9
65.03924	2.1
65.27986	0.4
66.04732	0.5
67.05508	6.3
69.03422	1.8
69.07067	3.0
70.06573	0.8
71.04982	1.9
71.53034	0.5
75.04486	0.6
77.27089	0.5
78.04727	0.6
79.05068	0.7
79.05498	9.1
81.03432	1.2
81.07060	6.2
82.94846	1.2
83.04984	2.4
83.08636	2.6
84.08138	0.5
85.02898	1.0
85.06521	0.8
89.03911	0.9
89.06016	0.6
91.05490	7.0
93.03395	2.2
93.06486	0.6
93.07051	9.0
95.04974	9.2
95.08615	9.7
97.02888	0.9
97.06520	2.0
97.65199	0.5
99.04453	1.6
103.05473	3.9
105.03387	1.0
105.07026	4.1
105.49490	0.5
106.04173	6.3
107.04958	5.5
107.08600	7.1
109.06528	13.7
109.10171	2.8
111.04440	0.9
111.08079	1.5
117.03415	1.2
117.07025	1.9
117.95970	0.9
119.08574	2.8
121.06508	9.1
121.10139	3.7
122.07246	0.6
123.04481	0.5
123.08061	1.9
123.11740	0.5
123.97468	1.2
124.05204	0.8
125.06035	2.4
125.09644	1.3
130.07794	0.5
131.04918	4.0
131.08571	1.7
133.06450	0.6
133.10115	2.0
134.03635	1.2
135.04410	1.7
135.08055	5.6
135.11693	7.4
137.06000	1.4
139.07567	2.2
143.08598	0.5
144.94864	0.9
145.00923	0.9
145.02832	2.3
145.10135	4.8
147.08063	0.9
147.11674	1.1
148.05136	0.7
149.05994	8.8
149.09615	2.1
149.13263	1.6
150.06688	0.9
151.03909	2.9
151.07545	0.7
151.11246	2.4
152.04686	14.6
153.05446	1.0
153.09096	4.0
162.95848	0.8
163.03940	3.2
163.07567	0.9
163.11217	6.8
165.12756	10.0
167.07051	100.0
167.14275	0.8
167.96468	1.5
168.07430	0.5
173.02339	0.6
173.09677	0.6
173.13283	2.4
177.05487	6.0
179.08560	0.5
181.04942	1.4
181.08554	2.4
181.12247	0.6
185.97475	1.3
191.03378	1.5
191.07085	1.9
191.10643	0.9
191.14302	5.2
209.04436	6.2
209.07918	4.2
209.09698	2.4
209.11774	1.2
209.13474	1.1
209.15344	9.0
227.12834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
55.01875	1.3
55.05515	0.9
55.91798	0.3
57.03435	0.5
57.07082	0.5
63.02393	0.4
67.05515	2.2
69.07079	2.0
70.06594	0.4
71.04990	0.6
78.04726	0.6
79.05493	1.4
81.03478	0.5
81.07052	1.9
82.94855	0.5
83.04966	0.7
83.08606	0.4
85.02901	0.5
85.06522	0.4
89.03929	11.0
91.05482	3.3
93.03393	0.8
93.07061	2.6
95.04976	1.7
95.08626	2.1
97.06534	0.8
99.04486	0.4
100.50304	0.4
103.05472	2.4
105.03381	0.5
105.07066	1.2
106.04200	3.6
107.04961	0.7
107.08595	3.2
109.06528	4.7
109.10167	8.2
109.47715	0.4
111.08074	0.8
117.03396	30.4
119.04922	0.5
121.06509	2.9
121.10171	1.6
123.08070	0.8
123.11723	3.1
123.97472	0.5
124.05225	0.5
125.06029	0.9
125.09645	0.6
131.04947	1.3
131.08620	0.8
133.10143	1.4
134.03656	3.3
135.04465	3.3
135.08049	2.4
135.11659	0.7
137.06018	0.6
139.07571	0.5
142.21649	0.3
144.94914	0.4
145.02863	65.2
145.10173	0.5
148.05251	0.6
149.06003	18.1
149.09642	0.8
149.13264	1.3
150.05495	0.4
151.11211	2.2
153.09119	1.4
158.06100	0.4
162.03136	1.0
163.03923	3.8
163.07556	0.5
163.11189	0.8
163.14842	1.3
165.12764	1.0
167.07042	0.8
167.96461	0.7
173.13283	1.0
177.05493	100.0
178.05873	0.4
181.08612	0.9
186.05463	1.6
191.03392	0.9
191.14354	3.3
209.04486	2.9
209.07973	2.1
209.09860	0.6
209.11574	0.4
209.15381	4.4
209.34319	0.4
228.98283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	2.5
55.01872	2.2
55.05516	97.7
57.03426	3.5
57.07062	5.0
59.04993	6.1
62.04019	1.4
67.05513	14.9
69.03416	7.8
69.07079	11.8
71.04973	4.9
71.16138	1.7
71.16470	3.2
79.05495	9.2
81.07067	19.6
83.04988	100.0
83.08627	59.3
84.79353	1.6
85.06545	5.2
89.06029	3.0
91.05508	8.2
93.07047	27.3
95.04388	2.5
95.04974	37.4
95.08621	17.1
97.06532	12.6
97.10191	9.8
99.04469	8.0
105.07053	8.8
107.08602	39.7
109.06528	33.0
109.10164	35.1
111.04418	2.3
111.08088	12.7
113.09644	3.3
115.45245	1.7
119.08585	4.9
121.06459	2.4
121.10155	59.5
123.08045	7.5
123.11703	14.0
125.09628	16.8
131.08559	6.3
133.10152	22.9
135.08037	5.4
135.11685	5.1
145.10112	3.6
149.09570	2.5
149.13269	13.3
151.11195	56.7
153.09109	18.4
163.14813	11.0
167.14330	81.5
173.13309	9.9
173.14536	1.6
186.77779	1.6
191.14307	18.5
209.15372	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	3.0
55.01875	3.5
55.05271	2.1
55.05515	28.0
57.03444	2.6
57.07071	4.5
59.04988	3.1
60.66666	1.4
65.03951	1.4
67.05509	10.4
69.03416	4.1
69.03770	1.3
69.07075	7.6
69.57382	7.7
71.05000	9.0
77.14380	1.2
79.05505	14.3
81.03448	1.6
81.07059	23.4
83.04987	59.3
83.08623	13.7
85.06548	3.5
85.14117	1.2
91.05495	9.5
93.07052	15.0
95.04975	35.9
95.08608	18.5
97.06535	12.2
97.10181	2.8
98.20734	1.6
99.04449	4.6
99.08086	3.0
103.05489	1.5
105.07042	13.6
107.08607	24.4
109.06524	100.0
109.10162	21.4
111.08099	6.2
113.09642	2.7
115.05492	1.3
117.06996	3.1
119.08568	5.7
121.06493	4.1
121.10147	17.6
123.08066	11.2
123.11684	2.9
125.09585	6.2
131.04909	1.5
131.08566	21.6
133.10138	32.7
135.08055	19.9
135.11652	2.5
137.09685	2.3
138.20393	1.3
143.08514	2.3
145.10124	7.8
147.11685	3.7
149.09630	11.5
149.13281	10.2
150.10324	1.7
151.11177	14.0
153.09132	18.0
158.10915	3.3
163.11191	3.0
163.14850	2.9
166.15944	1.7
167.07047	14.3
167.14325	19.0
173.13284	16.7
177.60478	1.3
191.10683	3.8
191.14314	29.1
209.07965	1.3
209.12033	6.6
209.15376	30.5
220.87715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.03213	1.1
55.05498	5.1
57.45831	1.2
66.93320	1.2
67.05497	5.1
69.03417	6.6
69.07069	2.8
71.36775	2.4
79.05482	4.5
81.07051	12.6
83.08616	1.9
91.05479	8.1
93.07029	2.9
95.08627	2.2
100.11209	1.6
101.29639	1.5
104.93978	1.4
105.07043	7.6
107.08597	26.1
109.06509	10.1
109.10155	8.0
115.05434	4.3
117.07009	3.2
119.08571	4.3
121.10155	12.7
122.07278	8.8
123.08063	1.8
131.08519	1.9
133.10138	95.9
135.08055	21.0
135.11713	2.3
137.09621	100.0
147.11703	1.7
149.13248	11.7
154.82541	1.3
163.14848	2.5
164.55025	1.3
173.13226	5.4
177.87212	1.2
189.87277	1.3
191.14314	5.4
193.86710	1.5
209.04482	2.2
209.09836	1.3
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
53.03936	1.8
55.01860	3.9
55.05515	8.3
57.03422	5.5
57.07063	4.3
59.04986	1.5
61.17130	1.5
61.91882	1.3
67.05513	12.8
69.03422	3.7
69.06731	1.9
69.07072	25.7
71.04995	29.1
71.09665	2.6
79.05494	9.8
81.07065	22.4
82.94780	1.3
83.04987	7.1
83.08632	6.9
85.06532	4.6
91.05487	11.0
93.03378	1.3
93.07049	27.9
95.04976	11.6
95.08002	1.7
95.08607	33.4
96.59295	1.1
97.06544	13.9
99.04455	6.9
99.08094	5.3
103.05448	2.9
105.07034	18.4
106.04183	5.2
107.04952	2.0
107.08598	58.0
109.06524	12.8
109.10159	37.0
111.08086	14.6
113.09644	6.4
115.07564	2.9
117.07024	2.2
119.08599	12.9
121.06488	8.6
121.10150	43.8
123.08094	16.4
123.11716	34.2
125.06019	2.0
125.09641	4.2
131.04947	2.0
131.08566	14.5
133.10139	60.4
135.08061	58.2
135.11687	31.1
137.09607	3.9
138.10390	5.3
139.07578	2.3
139.11189	13.8
143.08528	2.1
144.09363	1.6
145.02858	1.4
145.10109	8.6
147.11697	11.8
149.05998	6.8
149.09622	40.6
149.13258	24.3
151.11179	17.9
153.09105	4.0
158.10916	4.3
161.09645	2.7
163.11241	3.7
163.14825	29.1
165.12752	4.5
167.14359	6.4
173.11801	2.6
173.13268	43.3
176.11998	3.8
177.05490	3.3
181.15869	1.4
191.03398	1.5
191.14316	100.0
209.04463	4.9
209.08047	2.6
209.15382	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.3
55.01878	1.1
55.05508	0.8
57.03432	0.3
57.07084	3.9
59.04995	0.3
60.32777	0.3
65.92297	0.3
67.05517	4.0
69.03443	0.9
69.07069	1.8
70.28487	0.3
70.96539	0.3
70.96885	0.7
71.05006	2.9
72.84412	0.3
78.18650	0.3
79.05500	3.7
81.07059	4.1
83.04987	1.3
83.08627	0.9
83.25768	0.3
85.02937	0.3
85.06540	0.9
91.05482	3.6
92.00188	0.3
93.03414	0.3
93.07050	3.6
95.04977	3.7
95.08623	4.3
97.06543	1.1
103.05493	0.8
105.03391	0.3
105.07044	3.9
106.04195	0.9
107.04961	0.5
107.08616	6.5
109.06531	100.0
109.10166	11.4
111.08105	1.5
113.09679	0.4
115.05499	0.4
117.07023	1.6
118.10581	0.3
119.08577	1.3
119.38383	0.3
120.32117	0.3
121.06525	1.4
121.10160	3.5
123.08081	9.1
125.06028	0.4
125.09641	0.8
129.07072	0.3
131.04886	0.7
131.08582	6.1
133.06444	0.4
133.10156	3.2
135.08073	24.4
135.11673	0.5
136.08694	0.3
137.06108	0.3
139.11182	0.8
143.08549	0.5
144.09203	0.3
145.10139	1.8
147.08026	0.4
147.11728	1.5
148.08821	0.4
149.05989	1.0
149.09637	2.8
149.13272	1.2
150.10359	0.9
151.11221	2.8
153.09111	4.2
158.10941	1.1
161.09659	0.9
162.25958	0.3
163.03896	0.4
163.11174	0.4
163.14859	0.7
165.12770	0.5
167.96411	0.5
173.13290	5.8
176.11993	0.7
177.05469	0.8
185.97543	0.3
191.03430	0.3
191.14334	22.1
209.04431	1.5
209.07924	0.6
209.09842	0.6
209.11729	0.4
209.15390	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	3.0
55.01870	2.8
55.05509	9.8
56.96567	3.0
57.03437	3.8
57.07077	3.7
59.04994	3.4
63.40083	1.0
65.03941	1.6
67.05508	8.3
69.03439	4.1
69.07085	8.5
69.50996	6.4
71.05000	6.1
79.05499	18.2
81.03443	1.8
81.07069	40.8
82.06575	1.5
83.04977	6.4
83.08633	9.9
85.02916	1.3
85.06532	5.3
91.05482	12.3
93.03423	1.2
93.07051	20.7
95.04982	32.6
95.08614	12.6
97.06548	30.2
98.20795	2.7
98.97589	4.7
99.04462	9.5
99.08104	2.3
100.11251	5.1
103.05479	2.1
105.07042	25.1
106.04168	1.5
107.04987	1.9
107.08607	31.3
109.06532	100.0
109.10172	25.2
111.08067	5.2
113.06009	1.5
113.09701	1.6
115.07584	1.2
116.98638	1.5
117.07015	3.3
119.08601	6.6
121.06520	5.2
121.10166	26.0
123.08100	8.2
123.11713	3.6
123.97517	1.3
125.05975	1.3
125.09648	5.1
129.07028	1.6
131.04942	3.1
131.08588	20.8
133.10147	85.8
135.08084	18.5
135.11696	3.7
137.09645	2.6
139.08632	1.6
139.11212	1.5
143.08585	3.6
144.09341	1.9
145.01530	1.4
145.10147	8.6
147.11711	7.4
149.06003	4.2
149.09644	7.1
149.13280	11.0
151.11165	6.5
153.09122	24.2
158.10918	4.8
163.03947	1.2
163.07607	2.1
163.11221	3.2
163.14835	6.4
165.12756	1.8
167.14337	5.5
173.13289	37.1
177.05496	2.7
181.06377	1.2
185.83713	1.3
190.98581	1.7
191.03503	1.5
191.10690	3.3
191.14334	39.2
193.04985	2.0
209.04390	5.8
209.06293	1.4
209.07921	2.6
209.09764	2.7
209.11780	4.8
209.15323	35.9
209.17047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00821	5.1
54.25158	5.1
68.43906	4.0
70.49870	13.5
77.63046	4.3
94.93024	86.0
106.83826	4.1
192.93039	34.1
209.95662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.3
55.05509	1.0
56.96569	0.3
57.03439	0.3
58.99593	0.4
61.02916	0.3
67.05504	0.6
69.03416	0.3
69.07074	0.5
69.20461	2.1
70.06590	0.6
71.04981	0.3
76.02224	1.6
79.05486	0.6
79.63939	0.2
81.07075	1.4
82.06579	1.2
83.04979	0.3
83.08636	0.4
84.05273	0.2
84.08139	1.0
85.02909	0.3
91.05486	0.3
93.07051	1.0
94.06562	2.8
94.07182	0.3
94.07394	0.4
95.04976	0.4
95.08611	0.9
96.08126	0.9
98.09706	0.3
98.20798	0.5
100.02209	0.3
101.03016	0.3
106.07425	0.3
107.04912	0.3
107.08586	0.6
108.08104	1.1
108.08862	0.5
109.06487	0.4
109.08924	1.1
109.10111	0.3
110.06083	0.2
110.06847	0.6
110.09692	0.8
110.10416	0.2
112.07619	2.7
112.11243	0.6
118.23934	0.2
121.10155	0.4
122.02718	0.7
122.09661	2.0
122.10430	0.3
123.08092	0.3
123.10456	1.4
124.08387	0.4
124.11232	2.0
132.08952	0.4
134.10503	0.8
135.11719	0.4
136.11211	2.9
137.12024	2.7
137.13133	0.3
138.12807	1.1
146.02711	0.4
150.02095	1.3
151.21541	0.2
153.01855	0.6
163.97762	0.6
164.03835	0.5
164.14360	2.8
166.15918	100.0
167.07060	0.9
167.16243	0.7
168.17451	0.7
168.98242	0.2
169.17937	0.3
174.13649	0.3
175.41820	0.2
178.30176	0.2
182.09337	0.2
192.03291	0.3
192.10216	0.2
192.14691	1.3
192.80360	0.2
210.07652	0.5
210.18536	58.8
211.05899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64550	11.3
57.39629	8.3
58.52888	9.1
61.69456	10.5
70.65458	21.7
70.65863	20.6
74.86794	9.9
89.25735	9.4
109.13183	12.3
112.89642	16.5
120.94531	11.1
166.29764	10.6
210.94099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
53.03959	0.3
55.01882	0.7
55.05520	2.1
56.96570	1.9
57.03450	0.9
59.05006	0.3
63.20831	0.3
67.01871	2.4
67.05513	2.4
68.99776	2.0
69.03433	1.7
69.07073	1.4
69.71284	1.4
70.06614	0.9
71.05015	0.9
79.05510	2.0
81.03432	3.9
81.07064	3.0
83.01373	0.4
83.05001	1.5
83.08647	0.7
84.08170	0.4
85.02914	10.4
85.06557	0.7
86.09731	0.8
89.26720	0.2
91.05489	3.5
93.07041	1.8
95.04964	2.6
95.08617	1.3
97.02903	0.9
97.06554	0.5
97.99210	0.6
99.04470	0.6
99.08109	0.7
103.05484	0.3
105.03410	0.8
105.07040	1.6
107.04976	0.9
107.08619	1.1
109.02898	2.7
109.06513	1.5
109.10175	2.2
111.00840	0.4
111.08112	0.7
116.00253	0.3
119.04955	1.3
119.08574	1.6
120.08115	0.5
121.06498	0.4
121.10177	0.5
123.04436	4.8
123.08089	0.8
125.09640	0.5
127.03931	23.4
129.07005	0.4
131.08601	0.4
133.02892	0.4
133.06541	0.5
133.10155	1.2
135.11688	0.6
137.05997	0.9
137.09641	0.7
142.04967	0.3
144.10236	0.3
147.04425	5.1
147.08034	0.5
147.11688	1.3
149.02428	0.3
149.06082	0.3
149.09602	0.6
151.03925	12.4
151.05150	0.6
151.07582	2.4
151.11220	0.5
153.01843	100.0
154.02164	0.4
157.10167	0.7
165.05498	5.1
165.06995	1.0
165.09155	0.8
165.12691	0.5
167.07056	2.8
168.07898	0.4
169.04985	5.0
170.05302	0.6
171.02853	1.8
175.03923	2.3
175.11201	1.0
175.14812	0.6
179.07085	0.9
183.08086	0.8
193.04987	28.2
193.08604	0.7
193.12122	1.6
196.07343	0.3
201.27179	0.3
211.06013	27.0
211.09406	0.8
211.11285	0.7
211.13171	0.6
211.16850	0.3
224.66466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.03935	1.0
53.81047	0.4
55.01871	1.1
55.05515	2.8
56.96571	8.7
57.03429	1.5
57.07073	0.5
59.04996	0.4
65.03934	1.4
67.01869	4.4
67.05229	0.4
67.05512	4.1
68.99786	0.9
69.03087	0.6
69.03436	8.5
69.07065	1.5
69.50292	1.7
69.50696	1.0
71.01356	0.8
71.04992	1.1
71.56071	0.4
72.08183	0.5
79.01868	0.8
79.05494	4.2
79.43235	0.4
81.03416	2.9
81.07068	6.2
83.01311	0.4
83.04994	2.1
83.08618	1.7
84.96041	1.9
85.02893	0.7
85.06532	0.7
91.05488	17.5
93.07036	3.0
95.01345	0.9
95.04984	5.4
95.08610	3.7
97.02905	3.1
97.06527	1.4
97.10143	0.4
97.99199	3.4
99.04449	0.8
99.08080	1.5
103.05489	0.6
105.03422	0.5
105.07019	2.6
107.04942	0.9
107.08611	2.8
109.02882	0.8
109.06529	3.8
109.10160	2.5
111.08092	0.8
113.02391	0.6
113.05999	0.7
116.00221	2.1
119.04955	16.3
119.08598	3.4
121.10155	1.1
123.04424	3.2
123.08053	1.0
123.11716	1.3
125.02354	1.5
125.05987	0.7
125.09634	0.7
129.07028	0.9
133.02884	0.5
133.06401	0.6
133.10129	1.8
135.08051	0.8
135.11673	1.2
137.02315	0.6
137.05995	5.8
137.09573	1.0
143.03441	0.5
143.99695	0.5
145.10150	0.5
147.04419	38.0
147.11679	1.7
149.09544	0.6
151.03928	4.9
151.11165	1.8
153.01773	0.4
155.03406	1.2
155.10690	0.4
157.10139	0.8
165.05481	10.8
165.06892	0.5
165.09111	0.6
165.12746	0.9
167.07037	1.6
169.01363	0.4
169.04982	5.9
169.10036	0.4
175.03920	14.5
175.11217	1.6
175.14816	0.9
175.85570	0.4
181.10245	0.7
183.06535	4.5
187.02371	0.5
193.04977	54.4
193.08629	1.6
193.12210	2.6
193.15895	0.8
196.12514	0.4
205.99037	0.6
211.06029	100.0
211.09566	3.5
211.13275	1.8
211.14862	1.6
211.16908	0.8
212.06445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
53.03954	1.3
54.56783	0.6
55.01896	0.7
55.05523	2.2
56.96572	3.0
57.03462	1.8
62.15778	0.7
65.03963	1.4
67.01885	2.1
67.05516	4.8
67.97207	0.6
68.99815	2.5
69.03431	1.3
69.07088	1.8
70.01228	2.7
70.06610	2.0
71.05007	1.5
77.03948	0.9
78.04720	0.7
78.82629	0.5
79.05492	5.4
80.06274	1.1
81.03432	3.2
81.07061	4.1
83.05000	2.6
83.08631	1.7
84.96076	0.7
85.02909	9.0
85.06567	1.5
86.09721	1.0
89.14222	0.6
91.05484	13.8
93.03409	0.8
93.07054	2.6
94.04173	0.7
95.04978	6.1
95.08636	1.6
97.02903	1.4
97.06543	1.3
97.10187	0.6
97.99203	0.8
99.04469	1.4
99.08096	1.4
103.05536	0.7
105.03391	1.8
105.07041	2.9
106.04164	1.3
107.04969	13.1
107.08605	1.7
108.05734	6.0
108.17040	0.6
109.02888	4.7
109.06519	3.3
109.10187	2.9
111.04491	0.9
111.08092	0.8
118.04198	0.8
119.04957	4.9
119.08601	2.1
120.08123	0.6
121.02890	1.4
121.06530	7.9
121.10187	0.8
122.05922	0.6
123.04447	7.5
123.08092	2.1
125.02359	0.6
125.05992	3.9
127.03918	10.2
133.02840	2.3
133.06555	1.0
133.10136	1.6
135.04434	4.6
135.07971	0.7
135.11661	1.5
136.05203	17.8
136.74246	0.7
137.05981	3.4
137.09578	1.4
139.07562	1.9
141.05507	0.7
143.56268	0.6
147.04419	8.9
147.08076	1.0
147.11728	1.2
148.05194	12.3
149.02377	0.8
149.05994	2.6
149.07076	0.8
149.09637	1.2
150.06755	2.2
151.03932	18.1
151.07550	100.0
152.08159	0.5
153.01837	32.4
153.05458	7.2
157.10069	0.8
164.04684	1.6
165.05498	10.1
165.09123	0.9
165.12738	0.7
167.07048	21.9
168.07794	3.9
169.04968	3.5
171.03020	0.5
175.03915	4.2
175.11214	0.9
175.14867	0.9
179.07039	57.0
180.07861	3.1
181.04967	3.8
181.08543	2.8
183.08121	0.7
193.04974	44.5
193.08580	1.8
193.12248	2.7
193.15858	0.8
194.11720	0.8
196.07317	29.3
211.06004	25.7
211.09567	9.3
211.13039	1.3
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	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02363	1.1
52.69956	0.7
53.03941	4.2
55.01638	1.1
55.01877	15.5
55.05510	10.2
56.96574	6.5
57.03430	6.6
57.07052	1.4
59.04994	1.2
61.02922	0.8
65.03928	2.5
67.01850	1.2
67.05508	23.5
68.99800	1.9
69.03429	10.7
69.07069	6.1
70.06570	2.4
70.41129	0.8
71.01350	1.6
71.04987	7.3
71.52389	0.9
73.02915	9.2
77.03912	1.0
79.05489	22.7
81.03422	22.8
81.07063	32.6
83.01343	14.4
83.04984	6.7
83.08640	4.5
84.08150	1.0
84.96036	1.5
85.02906	4.5
85.06542	2.1
86.09701	1.7
91.05486	34.5
93.03397	1.3
93.07048	32.4
94.06572	2.3
95.01339	1.3
95.04378	1.7
95.04974	29.8
95.08607	21.4
96.08796	0.8
97.02905	5.9
97.06534	8.7
97.10133	0.8
97.99160	2.3
99.04460	11.6
99.08091	2.7
101.02353	2.7
103.05496	5.1
105.03377	2.0
105.04535	1.4
105.07037	47.1
106.04130	1.0
107.04968	6.4
107.08606	14.6
108.05699	1.3
109.02893	8.6
109.06521	36.9
109.10149	8.9
111.04447	4.7
111.08089	9.8
113.05999	1.7
114.02420	1.0
115.03934	4.1
115.05470	1.5
117.07060	4.6
119.01996	0.9
119.04951	6.7
119.06053	3.0
119.08585	37.4
121.02893	1.1
121.06514	14.8
121.10155	6.1
123.03577	1.3
123.04435	17.5
123.08078	28.9
125.02354	4.5
125.05991	2.0
125.09650	3.0
127.03919	7.8
127.07545	1.3
128.76016	0.8
129.07005	4.0
131.08540	2.9
133.06508	14.7
133.10150	5.8
135.04453	2.5
135.08063	4.8
135.11702	4.8
137.02373	5.8
137.05991	24.2
137.09627	11.4
139.03897	1.1
139.07544	23.7
141.05489	1.4
141.09142	1.3
147.04445	5.2
147.08058	7.5
147.11690	13.1
149.02322	1.8
149.06013	4.9
149.09618	2.7
149.13268	1.0
151.03857	2.7
151.07555	24.9
151.11179	2.3
153.09077	2.2
155.03377	3.5
155.07040	1.9
155.08379	1.0
157.10138	1.7
161.05995	4.2
163.07468	1.2
163.11192	1.3
165.01926	0.9
165.05450	3.6
165.06956	1.3
165.09116	29.5
165.12752	7.8
166.15860	4.2
167.07043	28.1
167.16287	18.5
169.04939	2.8
169.08615	9.8
169.09985	1.5
169.12224	2.3
175.03941	1.5
175.07565	2.0
175.11206	6.4
175.14841	1.9
179.07053	16.9
181.08716	1.0
181.12206	2.7
183.02872	1.1
183.10207	2.0
193.01358	4.5
193.04987	8.0
193.08635	7.9
193.10233	1.2
193.10527	1.3
193.12271	10.6
193.15875	1.4
196.12495	1.1
211.02472	8.9
211.06284	12.5
211.09659	100.0
211.11230	3.7
211.13155	2.9
211.18835	14.6
212.11780	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
52.69956	0.7
53.03941	4.2
55.01638	1.1
55.01877	15.5
55.05510	10.2
56.96574	6.5
57.03430	6.6
57.07052	1.4
59.04994	1.2
61.02922	0.8
65.03928	2.5
67.01850	1.2
67.05508	23.5
68.99800	1.9
69.03429	10.7
69.07069	6.1
70.06570	2.4
70.41129	0.8
71.01350	1.6
71.04987	7.3
71.52389	0.9
73.02915	9.2
77.03912	1.0
79.05489	22.7
81.03422	22.8
81.07063	32.6
83.01343	14.4
83.04984	6.7
83.08640	4.5
84.08150	1.0
84.96036	1.5
85.02906	4.5
85.06542	2.1
86.09701	1.7
91.05486	34.5
93.03397	1.3
93.07048	32.4
94.06572	2.3
95.01339	1.3
95.04378	1.7
95.04974	29.8
95.08607	21.4
96.08796	0.8
97.02905	5.9
97.06534	8.7
97.10133	0.8
97.99160	2.3
99.04460	11.6
99.08091	2.7
101.02353	2.7
103.05496	5.1
105.03377	2.0
105.04535	1.4
105.07037	47.1
106.04130	1.0
107.04968	6.4
107.08606	14.6
108.05699	1.3
109.02893	8.6
109.06521	36.9
109.10149	8.9
111.04447	4.7
111.08089	9.8
113.05999	1.7
114.02420	1.0
115.03934	4.1
115.05470	1.5
117.07060	4.6
119.01996	0.9
119.04951	6.7
119.06053	3.0
119.08585	37.4
121.02893	1.1
121.06514	14.8
121.10155	6.1
123.03577	1.3
123.04435	17.5
123.08078	28.9
125.02354	4.5
125.05991	2.0
125.09650	3.0
127.03919	7.8
127.07545	1.3
128.76016	0.8
129.07005	4.0
131.08540	2.9
133.06508	14.7
133.10150	5.8
135.04453	2.5
135.08063	4.8
135.11702	4.8
137.02373	5.8
137.05991	24.2
137.09627	11.4
139.03897	1.1
139.07544	23.7
141.05489	1.4
141.09142	1.3
147.04445	5.2
147.08058	7.5
147.11690	13.1
149.02322	1.8
149.06013	4.9
149.09618	2.7
149.13268	1.0
151.03857	2.7
151.07555	24.9
151.11179	2.3
153.09077	2.2
155.03377	3.5
155.07040	1.9
155.08379	1.0
157.10138	1.7
161.05995	4.2
163.07468	1.2
163.11192	1.3
165.01926	0.9
165.05450	3.6
165.06956	1.3
165.09116	29.5
165.12752	7.8
166.15860	4.2
167.07043	28.1
167.16287	18.5
169.04939	2.8
169.08615	9.8
169.09985	1.5
169.12224	2.3
175.03941	1.5
175.07565	2.0
175.11206	6.4
175.14841	1.9
179.07053	16.9
181.08716	1.0
181.12206	2.7
183.02872	1.1
183.10207	2.0
193.01358	4.5
193.04987	8.0
193.08635	7.9
193.10233	1.2
193.10527	1.3
193.12271	10.6
193.15875	1.4
196.12495	1.1
211.02472	8.9
211.06284	12.5
211.09659	100.0
211.11230	3.7
211.13155	2.9
211.18835	14.6
212.11780	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	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.03941	2.0
55.01872	9.0
55.05512	12.4
56.96302	1.1
56.96569	18.9
57.03438	21.5
57.07063	4.2
57.81635	0.9
59.04972	1.1
65.03937	5.6
67.01854	4.6
67.05508	44.0
68.99786	3.1
69.03440	14.8
69.07077	7.3
70.06559	1.1
71.05000	6.2
77.08073	0.8
78.48325	0.9
79.05499	13.6
81.03426	13.7
81.07063	36.8
82.53337	0.9
83.01346	1.1
83.04984	8.7
83.08643	5.1
84.08134	1.3
84.96027	2.8
85.02908	3.9
85.06547	70.9
86.09724	1.4
91.04913	1.5
91.05482	30.2
93.07046	15.8
95.01317	1.8
95.04983	12.3
95.08610	16.4
96.68660	1.0
97.02904	7.3
97.06537	9.5
97.99183	7.5
99.04454	2.5
99.08102	8.2
105.07033	18.1
107.04942	2.7
107.08617	13.1
109.02890	2.9
109.06526	39.5
109.10165	14.2
110.09678	1.0
111.08089	4.6
113.06021	1.6
116.00242	3.3
117.07027	1.2
119.04955	14.5
119.08590	20.2
121.06496	4.0
121.10139	10.9
123.04435	29.8
123.08067	21.0
123.11706	4.6
125.06033	1.6
125.09647	16.5
127.03893	7.7
127.07569	30.9
129.07005	2.7
131.08525	2.0
133.06483	1.8
133.10126	7.3
135.08052	3.2
135.11702	4.6
137.06001	11.7
137.09625	12.5
137.13232	1.0
139.03903	8.1
139.07608	1.3
139.11163	4.2
142.07806	2.0
147.04425	35.8
147.08064	3.5
147.11678	15.0
149.06020	2.8
149.09618	4.6
151.03874	7.2
151.07535	6.8
151.11191	3.2
153.05461	3.0
153.12741	0.9
155.03427	10.5
155.08528	1.2
155.10657	1.2
156.12680	1.0
157.10126	4.4
159.16702	1.1
164.04703	3.3
165.05507	20.4
165.06927	2.0
165.09109	16.5
165.12790	6.2
167.07045	9.0
167.10706	11.9
168.08064	1.5
169.04994	5.2
169.06247	1.0
169.08685	6.1
169.09930	1.2
169.12210	1.2
175.03931	13.7
175.07545	7.6
175.11157	12.8
175.14854	2.4
179.07086	1.3
183.06529	4.0
193.04977	58.2
193.08615	73.6
193.12257	22.3
193.15982	2.2
205.98885	1.5
211.06035	100.0
211.09601	56.4
211.11142	2.7
211.13200	4.7
211.14890	2.5
211.16849	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	13.1
55.05513	10.9
56.96570	8.3
57.03435	6.6
57.07084	1.4
59.05005	1.1
64.42278	0.7
65.03941	1.9
67.01869	1.1
67.05506	23.0
68.99791	2.8
69.03426	10.8
69.07069	7.4
70.06596	2.1
71.01369	1.5
71.04992	7.9
73.02922	7.4
77.03889	0.7
78.00996	0.7
79.05496	23.9
81.02686	0.8
81.03419	16.8
81.07055	30.9
83.01342	15.2
83.04977	7.0
83.08630	3.4
84.08124	0.8
84.96034	2.0
85.02911	4.9
85.06537	1.5
86.09705	2.2
87.04482	0.8
91.05482	40.2
93.03421	1.0
93.07047	33.1
94.06585	3.1
95.01334	2.4
95.04366	1.6
95.04973	29.7
95.08611	23.1
97.02888	6.9
97.06542	9.4
97.66488	0.6
97.99179	3.6
99.04466	7.7
99.08092	3.0
101.02378	3.0
103.05459	5.5
105.03426	1.1
105.04534	1.3
105.07032	52.8
107.04962	6.1
107.08598	24.7
108.05743	1.0
109.02888	10.6
109.06519	32.3
109.10153	9.8
111.04451	3.8
111.08086	9.8
113.06012	1.9
115.03938	2.7
115.05481	1.7
116.00199	0.9
117.07005	5.6
119.01235	1.0
119.04978	4.5
119.06142	3.7
119.08585	100.0
120.08858	1.0
121.02917	0.9
121.06512	13.2
121.10152	11.9
123.04434	16.8
123.08070	26.8
123.11713	2.5
125.02381	4.1
125.05972	1.7
125.09616	1.5
127.03922	7.0
127.07545	2.7
129.07018	3.7
131.08578	3.7
132.59979	0.9
133.06490	15.0
133.10135	6.1
135.04407	1.7
135.08035	3.8
135.11681	8.6
137.02353	7.0
137.05989	22.1
137.09610	14.8
137.13284	1.0
139.03902	0.9
139.07532	20.2
139.11201	0.9
141.05481	1.1
141.09093	1.4
145.10069	1.0
147.04395	2.3
147.08041	5.7
147.11691	33.4
149.02347	2.2
149.05968	4.7
149.09608	6.3
150.13533	0.9
151.03908	3.4
151.07544	22.6
151.11182	2.4
151.16995	0.7
153.01848	1.1
153.09082	1.4
155.03381	1.8
155.07014	1.1
157.10175	2.0
161.05969	4.0
163.07568	0.8
163.11192	5.9
165.01744	1.7
165.05490	2.0
165.09120	23.9
165.12755	20.7
165.46663	0.6
166.15930	3.5
166.60005	0.6
167.07054	28.0
167.10680	1.0
167.16275	16.8
167.69763	0.7
169.04910	2.0
169.08629	9.4
169.12227	1.7
175.03928	1.3
175.07565	1.9
175.11191	15.1
175.14812	1.7
179.07047	13.2
181.08618	1.0
181.10120	0.7
181.10866	0.6
181.12253	5.4
182.15005	0.7
183.02873	0.9
183.10197	2.2
193.01361	11.0
193.04953	5.1
193.08611	5.1
193.12248	20.3
193.15894	1.0
195.09181	1.0
211.02415	18.3
211.06017	7.5
211.09647	79.5
211.13191	5.0
211.18845	14.1
212.11852	4.5
229.03535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	2.7
53.56097	1.3
55.01878	55.6
55.05515	17.3
56.96562	5.8
57.03442	21.1
57.07076	1.9
65.03926	1.9
67.01855	3.1
67.05505	18.8
69.03431	16.8
69.07071	8.5
69.20783	2.5
69.21185	9.8
71.04993	8.6
79.05497	31.9
81.03428	12.1
81.07063	86.4
83.04984	11.4
83.08625	5.9
84.96018	1.7
85.02913	2.1
85.06533	3.9
89.36388	1.5
91.05489	40.8
93.07048	28.2
94.79259	1.3
95.04970	15.0
95.08612	21.5
95.96770	1.2
97.02884	4.8
97.06536	28.9
97.99167	3.8
99.04450	2.8
99.08105	2.5
105.07040	58.8
107.07981	2.0
107.08610	24.2
109.06527	58.0
109.10164	17.9
111.04439	1.6
111.08063	4.1
111.56834	1.2
115.05429	1.5
117.07011	4.8
119.04944	13.8
119.08591	60.8
121.06519	12.1
121.10161	35.0
121.11037	2.0
123.04422	4.9
123.08079	20.9
123.11716	6.9
125.06024	2.1
125.09657	2.2
127.07529	1.4
127.57687	1.2
129.07007	4.6
131.08557	4.1
133.06519	4.3
133.10143	10.0
135.08070	12.6
135.11697	2.6
137.05994	15.9
137.09627	54.0
137.13246	2.2
139.11153	3.2
141.06963	2.6
142.07794	6.8
145.10136	2.6
147.04425	34.0
147.08034	2.9
147.11700	41.6
149.09630	4.1
151.03870	3.1
151.07573	2.7
151.11191	11.8
157.10146	13.1
160.08762	2.1
165.05493	10.8
165.06796	2.0
165.09100	1.8
165.12766	21.1
167.07054	7.2
167.10646	3.8
169.04996	3.8
172.17712	1.2
175.03906	13.3
175.11194	65.2
179.07013	4.9
179.08449	1.4
183.06555	1.8
183.08057	1.8
193.01352	2.5
193.04982	54.1
193.06754	2.6
193.12260	100.0
194.12469	1.4
195.73010	1.5
211.06020	95.4
211.13226	10.2
227.59825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03940	2.1
55.01878	19.2
55.05513	15.8
56.96570	14.8
57.03446	5.2
57.07077	2.6
67.05511	35.2
69.03432	2.6
69.07072	19.1
71.04996	6.5
71.41698	1.4
74.97618	1.3
79.05497	25.5
81.03423	4.1
81.07064	100.0
83.04993	7.4
83.08620	8.2
84.96033	3.8
85.02908	1.7
85.06540	8.0
86.09704	1.3
91.05489	38.9
93.07050	18.2
95.04974	7.4
95.08617	26.4
97.02950	1.6
97.06535	9.2
97.99192	7.4
99.04491	1.6
99.08096	4.5
101.06020	1.8
105.07041	41.4
107.05000	1.7
107.08607	15.6
109.06519	8.6
109.10151	4.0
111.08083	2.0
113.06035	2.5
116.00238	2.4
119.04982	2.1
119.08592	36.3
121.10159	25.8
123.08071	8.2
123.11703	28.6
125.06040	1.2
125.09650	2.3
127.07574	2.1
129.07002	3.5
131.08563	5.4
133.06468	1.5
133.10138	16.2
135.11696	1.2
137.05989	2.1
137.09630	2.4
137.13252	3.3
142.07780	1.4
144.78903	1.0
147.04419	3.5
147.11699	60.5
149.09612	2.1
151.07582	2.0
157.10182	7.0
165.05511	1.6
165.12778	11.4
167.07094	2.4
167.10670	1.3
169.10216	1.0
175.11208	9.3
183.08415	0.9
193.05014	4.1
193.12254	9.3
211.02484	1.3
211.06064	5.7
211.11447	1.6
211.13013	4.9
211.15054	1.2
211.16750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.37819	1.1
53.03945	5.3
55.01865	3.7
55.05515	43.0
56.96558	5.5
57.03447	15.5
57.07068	1.6
58.26324	1.2
65.03947	2.3
67.05186	1.2
67.05505	30.8
69.03423	8.9
69.07075	12.1
70.00256	4.3
71.05003	6.9
79.05497	33.0
81.03423	100.0
81.07061	34.6
83.04985	46.3
83.08622	39.7
84.96011	1.6
85.02921	2.2
85.06560	3.2
91.04917	1.7
91.05486	35.8
93.07045	25.2
95.04972	37.7
95.08606	17.8
97.02892	4.5
97.06525	5.3
97.10153	7.4
97.99189	2.7
98.21484	1.5
99.04449	2.2
99.08089	1.9
105.06394	2.4
105.07041	27.8
107.04936	5.7
107.08607	11.1
109.06508	6.8
109.10197	6.5
111.04417	2.3
111.08085	17.2
115.05444	2.2
116.00208	1.7
117.07071	1.5
117.53719	1.3
119.04922	4.8
119.08595	21.8
121.06522	2.4
121.10163	10.5
123.08076	9.1
123.11708	2.1
125.09653	6.9
129.07011	12.1
131.08597	12.0
133.06522	4.9
133.10135	14.8
135.11699	2.5
136.48051	1.6
137.06050	1.9
137.09615	5.5
139.11188	2.0
142.07802	2.8
145.10123	1.7
147.04442	7.1
147.08058	3.9
147.11702	22.8
149.09636	11.2
151.11240	1.6
157.10156	18.9
160.03847	1.4
165.05479	3.2
165.12756	4.5
167.10718	6.9
175.03917	3.2
175.11188	25.9
175.14810	1.9
179.06956	1.7
181.10225	1.6
183.14020	1.3
193.04968	10.1
193.12263	58.1
196.12424	1.4
211.06020	18.4
211.07797	2.4
211.13243	31.2
226.86844	1.3
234.55721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	5.3
55.05306	1.1
55.05512	10.3
56.08249	0.9
56.96329	1.0
56.96569	9.7
57.03439	8.5
57.07067	2.6
59.04991	3.7
65.03945	1.0
67.01849	1.3
67.05186	1.3
67.05510	18.5
69.03442	4.6
69.07072	23.6
70.67171	2.8
71.04998	23.9
79.05492	10.9
80.05039	0.9
81.03411	5.0
81.07063	23.3
83.04983	7.1
83.08633	5.7
83.09048	1.1
84.08125	1.0
84.96014	2.2
85.02888	1.5
85.06549	41.6
85.87740	0.9
91.05488	14.2
93.07050	39.4
93.07637	2.2
95.04391	1.3
95.04947	4.9
95.08611	34.2
97.02894	2.4
97.06557	4.7
97.10159	2.4
97.99159	5.3
98.97548	1.1
98.98460	1.2
99.04450	2.9
99.07502	1.6
99.08099	21.3
101.06052	1.1
105.07027	13.8
107.08601	53.3
109.02849	1.7
109.06561	5.6
109.10162	77.0
111.08099	6.4
111.11755	1.2
113.06028	6.9
116.00232	1.3
119.04938	3.2
119.08590	26.4
121.06505	1.5
121.10155	10.6
123.04435	3.6
123.08057	4.4
123.11723	14.6
125.09658	3.6
126.85290	1.1
127.11217	6.4
131.08542	1.5
133.10138	17.8
135.11699	100.0
137.05988	2.2
137.09590	7.2
139.11172	3.7
147.04420	8.5
147.11722	8.4
149.09642	2.2
149.13258	21.2
151.07559	1.9
151.11189	2.6
151.14833	8.5
153.12752	58.8
155.03473	1.4
155.08607	1.5
155.10594	1.7
157.10080	1.1
165.05452	2.9
165.06947	1.3
165.09010	1.1
165.12715	3.6
167.07051	4.5
167.10690	4.5
167.14333	3.7
169.04967	1.1
175.03867	3.0
175.11205	3.4
175.14838	35.5
193.01230	1.3
193.04982	11.2
193.08644	3.9
193.12198	4.7
193.15906	8.4
205.93286	1.0
211.02330	1.4
211.06007	21.1
211.09399	2.3
211.11415	1.5
211.13231	2.3
211.15102	2.3
211.16928	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03956	3.4
55.01866	6.3
55.05519	14.8
56.96573	12.8
57.03450	15.3
57.07077	2.7
59.04991	4.5
65.03939	1.7
67.05516	23.6
68.99787	1.7
69.03421	5.6
69.06740	1.9
69.07080	25.6
71.05004	22.5
75.35506	1.3
79.05505	13.3
81.03429	7.6
81.07072	30.5
82.57720	1.3
83.04996	8.7
83.08636	6.5
84.25770	1.3
84.96047	3.6
85.06559	47.9
88.23380	1.5
91.04987	1.5
91.05498	18.6
93.06485	2.6
93.07059	38.8
95.04980	8.5
95.08619	35.7
97.02911	1.8
97.06532	8.7
97.99182	6.2
99.04462	2.9
99.08112	22.5
105.07055	20.8
107.08613	56.5
108.59559	1.6
109.02856	2.1
109.06522	6.5
109.10174	78.6
111.08104	9.7
111.11769	1.5
113.06051	9.1
116.00286	1.4
119.04930	7.3
119.08598	29.0
121.06527	2.0
121.09453	1.5
121.10172	14.7
123.04423	4.0
123.08096	12.7
123.11724	19.2
125.09662	8.6
125.12577	1.5
127.11204	5.0
129.06923	1.8
131.08612	2.6
133.10156	23.2
135.08032	2.0
135.11716	100.0
137.05978	3.0
137.09633	11.4
139.11182	5.1
141.07077	1.4
141.09158	1.6
147.04445	13.6
147.08060	1.8
147.11710	9.5
149.09624	4.3
149.13287	23.8
151.03899	2.7
151.11137	4.4
151.14830	5.8
153.12773	59.4
154.86037	1.5
155.03355	1.4
157.10162	1.8
165.05424	4.1
165.09100	3.3
165.12762	5.8
165.16370	1.9
167.07141	7.1
167.08269	1.3
167.10699	7.7
167.14299	5.6
169.04932	3.1
175.03841	4.7
175.11205	4.7
175.14848	38.0
183.06544	1.7
193.01431	3.3
193.05000	18.3
193.08577	4.4
193.12344	8.4
193.15916	10.2
209.47772	1.5
211.02359	6.4
211.06053	33.2
211.09566	4.8
211.11462	2.5
211.13295	5.9
211.15001	5.7
211.16933	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03946	2.8
54.17173	1.1
55.01865	1.9
55.05514	22.4
56.96540	1.3
57.03440	21.2
57.07069	4.0
59.05007	1.6
67.05508	32.3
67.42977	1.2
69.03418	3.8
69.07072	18.8
70.31392	2.7
70.31790	2.2
71.05004	7.2
71.05685	1.2
71.08633	2.2
79.05499	12.6
81.03417	6.2
81.07064	43.1
83.01319	1.1
83.02055	1.2
83.04990	13.9
83.08624	14.4
85.06540	6.9
89.11703	1.1
89.35197	1.1
91.05483	17.5
92.16875	1.3
93.06493	1.6
93.07048	25.8
93.07628	1.4
95.04964	8.7
95.08615	60.0
97.02859	2.0
97.06538	11.2
97.10158	4.7
99.04463	2.1
99.08084	6.0
105.07053	16.0
107.08601	33.7
109.06523	16.8
109.10162	100.0
111.08092	46.4
111.08744	0.7
111.08879	1.5
113.05980	2.6
113.09650	3.2
117.07012	1.9
119.04922	5.4
119.08590	52.3
121.10149	31.5
122.07318	1.8
123.04420	1.4
123.08073	52.4
123.11719	21.7
125.09652	11.4
127.07568	1.2
127.11225	1.2
131.08569	4.1
133.10135	43.0
135.08127	3.0
135.11697	53.5
137.06046	2.5
137.09625	99.3
137.13251	4.8
138.10423	9.6
139.11185	7.3
145.10062	1.9
147.04449	9.9
147.11684	15.8
149.09619	3.9
149.13271	14.9
151.07549	2.5
151.11211	6.1
151.14854	10.7
153.01839	1.4
153.12819	1.5
156.24385	1.5
157.10100	3.2
163.11163	2.7
165.05457	3.4
165.09219	1.8
165.12756	14.2
165.16354	3.6
167.07016	2.0
167.10687	9.4
169.04996	2.1
175.03922	4.1
175.11298	5.7
175.14838	65.5
178.13489	2.3
183.06479	1.2
193.04982	17.5
193.12227	3.4
193.15897	45.0
211.06018	33.1
211.09621	3.0
211.13245	2.9
211.15016	2.3
211.16931	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	212.0768
Annotation	2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
Peak:m/z	Relative Intensity
57.03439	0.6
58.99863	0.5
64.57601	0.4
69.03432	7.1
69.07066	1.1
70.06557	0.6
70.53286	1.0
70.53607	0.7
73.02901	1.0
84.04496	0.8
84.08146	4.0
85.02898	1.7
95.41798	0.4
97.02888	1.2
98.06035	2.2
98.97591	2.9
101.00887	1.0
110.97588	0.8
112.07610	59.0
116.01226	0.5
116.98563	0.9
119.01887	1.4
122.04517	1.2
127.03876	0.5
128.98596	0.7
140.05565	11.7
152.05580	1.3
154.08600	0.8
158.06635	53.9
158.99754	0.9
159.06740	1.1
161.01543	0.5
161.02827	0.6
166.08636	0.7
170.06651	12.8
170.08112	0.7
173.05443	0.5
176.07703	19.8
181.08195	0.5
185.05356	1.0
186.06114	0.6
188.07693	28.6
189.07945	0.8
194.05145	0.5
194.06598	2.5
200.07684	4.2
201.00836	0.5
212.07683	100.0
213.07845	1.0
230.08746	60.3
231.09079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0394
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
55.01871	1.0
55.05516	0.8
56.96558	0.2
57.03440	0.3
62.95467	0.2
67.01868	85.8
67.05502	0.8
69.03425	0.7
69.07071	0.7
70.06606	1.3
70.40556	0.2
71.05002	0.7
72.08163	0.3
79.05497	0.9
81.03423	0.4
81.07060	1.7
83.04996	0.2
83.08633	0.4
85.02914	0.8
85.06547	2.0
86.09716	0.7
88.07619	0.4
91.05487	1.4
93.07053	1.1
95.01308	0.3
95.04974	0.8
95.08619	0.5
97.02885	0.2
97.06548	0.7
98.21545	0.4
98.97607	1.4
105.07023	0.7
107.04949	0.6
107.08605	1.3
109.06505	0.2
109.10194	0.3
111.04440	0.7
111.08098	0.5
116.98634	0.3
117.07021	0.2
119.04939	1.0
119.08566	0.2
121.06540	0.3
121.10180	1.3
123.08062	0.4
125.02370	1.4
125.09676	0.3
129.01952	0.2
131.08542	0.5
135.08063	0.3
135.11632	0.3
137.09685	0.3
139.03900	0.7
139.07590	0.2
141.05537	0.3
141.58212	0.2
142.08681	0.2
143.08794	0.3
149.09624	0.5
149.13258	0.6
153.01855	1.0
153.05457	0.2
153.12759	0.3
157.10123	0.3
158.99687	0.4
159.11742	0.5
167.07047	1.6
167.08354	0.3
167.12552	0.2
171.08075	0.2
177.00713	0.3
177.09077	0.3
177.12703	0.6
195.02962	0.7
195.06534	0.4
195.10130	0.8
195.11800	0.6
195.13776	0.5
213.03943	100.0
213.12949	1.4
214.04359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.076
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.03252	2.2
53.03946	3.0
55.01866	6.4
55.05518	4.2
56.96566	3.0
57.03434	6.1
61.02919	9.0
62.86932	2.5
63.84881	2.4
65.03940	9.6
67.05507	10.7
68.99803	20.1
69.03439	14.1
69.07062	9.7
69.20145	10.3
69.20576	12.5
70.06600	34.8
70.94270	3.1
71.04996	2.8
72.08166	16.3
79.05505	23.9
80.05032	2.6
81.03437	3.7
81.07049	8.2
83.04996	3.4
83.08629	2.4
85.02933	14.8
86.09724	12.2
88.07644	12.4
88.95313	4.4
91.05484	64.7
93.03416	10.7
93.07042	9.2
94.04166	3.3
95.04968	11.2
95.08595	7.1
97.06527	5.2
97.10164	3.5
98.20728	5.0
98.97593	3.9
99.04467	2.9
101.02372	5.5
103.03865	2.8
105.03380	3.0
105.07008	3.3
107.04966	33.5
107.08604	7.8
109.06525	4.4
109.10139	4.0
110.03676	21.3
110.07162	5.6
111.00812	13.9
111.04453	16.3
111.08020	2.5
114.05563	2.9
116.07082	5.6
116.98611	5.3
119.04951	91.5
120.05736	8.2
121.02918	4.4
121.06499	15.0
121.10191	5.3
122.03654	4.6
123.04427	5.3
123.11665	2.8
125.06006	75.3
127.03934	28.5
127.54865	2.6
129.01848	12.1
130.96306	20.1
131.08534	5.0
133.02866	13.3
133.10150	2.8
135.04433	31.8
137.09621	3.0
139.03909	6.6
147.04459	4.1
147.96547	5.0
148.97375	32.0
149.05984	21.8
149.09608	4.4
149.13235	4.0
150.03142	15.3
151.03922	100.0
151.05051	11.8
151.93207	2.5
152.06151	4.4
153.01808	7.2
153.05499	16.6
153.09122	3.1
157.06508	3.3
163.03864	9.0
165.05505	44.7
165.06926	4.5
166.07750	3.3
167.03363	3.4
167.05354	7.1
167.07065	20.9
167.08487	4.9
169.05019	5.6
169.06464	3.3
171.02913	3.0
177.05492	27.1
177.07016	5.8
177.09100	5.7
181.01375	4.8
185.06050	3.0
185.09596	3.0
189.97632	12.4
195.02936	2.6
195.04805	5.1
195.06538	33.8
195.08101	6.8
195.10071	3.7
207.71107	2.4
207.98676	6.3
213.03885	5.6
213.05595	5.9
213.07529	15.2
213.09380	22.3
213.12454	9.8
213.16066	3.8
225.76901	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	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.43309	0.2
53.03948	0.4
55.01878	0.8
55.05518	0.6
55.87035	0.2
65.03932	1.6
67.01863	0.6
68.99793	0.7
69.03424	0.9
69.76322	1.4
70.06587	0.9
72.08150	0.5
73.02908	0.2
79.05502	0.9
81.07061	0.3
81.87891	0.3
85.02898	0.4
86.09715	0.5
87.04480	0.5
88.07626	0.5
91.05484	78.5
92.05792	0.3
93.07067	0.5
95.04982	3.6
95.08611	0.5
97.02881	0.4
98.09679	0.4
98.97601	0.3
103.05288	0.3
105.03385	0.8
105.06999	0.3
107.04962	8.7
113.43711	0.3
115.05474	0.3
116.01649	0.3
119.04946	100.0
120.05742	8.2
121.02875	1.5
121.10136	0.4
127.03919	3.0
128.06235	0.5
129.01849	0.3
129.07022	0.7
130.96304	0.3
131.04865	0.3
141.06995	0.6
142.07806	0.4
144.05746	0.5
145.06577	0.5
147.04407	0.6
148.97446	0.3
149.09459	0.3
151.03891	0.4
152.06215	5.0
153.01834	27.7
156.40779	0.3
156.77843	0.3
157.06520	2.0
165.06998	4.9
165.52719	0.3
166.07806	1.7
167.07179	0.3
167.08575	7.7
169.05032	0.5
169.06505	0.8
170.07268	0.5
171.02908	0.3
171.04335	0.4
171.08092	0.5
176.06239	2.1
177.06996	5.5
177.09195	0.3
183.08046	0.4
185.09656	0.9
194.07249	1.0
195.06485	1.9
195.08073	5.8
195.77185	0.3
198.06755	1.3
211.07555	0.4
213.09105	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.02368	0.4
53.03938	0.5
55.01876	2.1
55.05515	1.8
56.96567	0.6
57.03440	0.6
57.07053	0.4
62.95503	0.4
63.00040	3.4
65.03947	1.8
67.01865	8.7
67.05509	1.8
67.79724	0.4
68.99791	0.9
69.03416	1.4
69.07064	1.2
69.76945	1.5
69.77361	0.7
70.06589	2.5
71.04980	1.5
72.08158	1.0
78.04715	0.9
79.05497	4.6
81.03429	0.7
81.07069	2.8
83.04981	1.0
83.08615	0.6
84.91636	0.3
85.02906	10.5
85.06561	0.7
86.09718	1.8
88.07645	0.9
89.06033	1.1
91.05483	76.4
93.07065	1.7
94.04218	0.6
95.04974	4.4
95.08602	1.3
97.02875	0.7
97.06527	1.8
97.10155	0.7
98.97549	1.1
99.04431	1.0
103.05460	3.2
105.03425	0.8
105.04430	0.4
105.07028	3.1
106.04185	0.8
107.02599	0.9
107.04958	30.2
107.08577	1.6
109.06518	0.9
109.10152	0.7
111.04430	0.5
111.08069	0.8
111.54591	0.4
115.05481	1.7
116.06264	0.4
116.07104	0.4
116.98608	0.5
117.07015	0.9
119.04943	100.0
120.05738	7.9
121.02903	1.8
121.06541	0.7
121.10146	1.0
123.04435	3.0
123.08015	0.6
124.05184	1.1
125.06007	1.0
125.09638	0.9
127.07574	0.5
128.06161	0.5
130.96332	0.5
131.04926	1.2
131.08585	0.8
133.06485	0.5
133.10185	0.6
134.99594	0.5
135.04367	0.6
135.08057	7.3
135.11693	0.9
137.06003	0.6
139.00270	0.5
141.06978	1.0
142.07748	0.5
144.05789	0.8
145.06473	0.9
147.04448	0.5
147.11803	0.4
148.97356	0.3
149.09619	1.2
149.13235	1.0
151.03931	0.9
151.05249	0.6
151.07530	0.4
152.04765	0.9
152.06218	5.8
153.05423	0.4
153.09128	0.4
154.06268	0.7
155.07103	0.5
157.06493	2.1
157.10138	0.5
158.99637	0.6
159.08180	0.4
163.07547	12.9
165.05603	0.6
165.06992	4.0
166.07808	2.1
167.07071	46.2
167.08560	7.9
169.06465	0.8
170.07300	0.5
171.02901	13.5
171.08025	0.8
174.89188	0.4
176.06232	1.7
177.00777	0.4
177.06978	4.4
177.09129	0.9
177.12770	0.4
180.07841	1.4
181.01305	0.5
181.06461	0.7
183.08041	0.4
185.07242	0.4
185.09616	1.4
189.97688	0.6
194.07254	0.6
195.06497	0.5
195.08099	6.6
195.10185	10.4
195.11884	0.8
195.13855	1.3
197.06119	0.4
198.06770	1.2
201.13982	0.3
212.08333	0.6
213.09140	26.8
213.11198	3.1
213.14825	0.8
213.16524	0.5
220.92487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02382	0.5
52.51970	0.3
53.03952	1.2
55.01871	1.8
55.05515	1.7
56.96561	0.4
57.03427	0.5
63.00051	1.1
65.03950	1.7
67.01521	0.6
67.01868	5.1
67.05520	1.9
67.89842	0.3
68.99803	0.5
69.03432	1.1
69.07056	1.2
70.06611	3.1
71.04987	1.0
71.52341	0.6
72.08162	1.5
77.03940	0.5
78.04707	1.9
79.05502	8.4
81.03425	0.8
81.07067	2.7
83.05008	0.5
83.08615	0.5
84.08150	0.6
85.02917	5.3
85.06552	0.5
86.09715	1.6
88.07652	0.8
89.06055	0.5
91.05489	63.2
93.03424	0.6
93.07051	2.2
94.04185	0.5
95.04977	5.1
95.08621	1.0
97.02898	0.6
97.04059	0.6
97.06555	1.5
97.10176	0.8
98.09714	0.9
98.97586	3.1
99.04449	0.9
103.05482	6.6
105.03408	0.8
105.07034	6.1
105.09786	0.4
106.04186	1.5
107.04966	61.6
107.08606	1.9
109.02890	0.5
109.06522	0.9
109.10136	0.8
110.03662	0.5
111.04418	0.6
115.05481	3.3
116.07096	1.0
116.98657	1.5
117.07017	1.6
119.04953	71.6
120.05750	8.4
121.02863	1.2
121.06540	1.0
121.10154	1.5
122.03664	0.5
123.04437	5.2
123.08064	0.8
123.75001	0.4
124.05239	2.8
125.05997	1.0
125.09653	0.7
126.05511	0.4
128.06192	0.5
129.07071	0.4
130.96353	0.8
131.04939	2.1
131.08591	0.7
133.06508	1.1
134.03732	0.4
135.04443	0.7
135.08063	15.6
135.11713	1.1
137.06004	1.3
139.03873	0.8
139.07596	0.4
141.05595	0.4
143.08578	0.7
145.06628	0.6
145.07664	1.6
147.04437	1.1
147.11723	0.5
148.97374	0.6
149.06007	0.6
149.09607	1.2
149.13309	0.5
151.03960	1.6
152.04768	1.9
152.06200	2.9
154.06270	2.0
157.06506	1.2
157.10188	0.6
158.99687	1.2
163.07559	29.6
165.05490	1.1
165.07025	2.9
166.07782	1.1
167.07065	100.0
168.07417	0.4
169.06490	0.6
170.07373	0.6
171.02916	7.8
171.04424	0.5
171.08037	0.8
176.06223	1.4
177.00786	0.8
177.07016	4.1
177.09117	1.3
180.07864	3.7
181.01390	0.5
181.08640	0.7
183.08047	0.4
185.09657	1.3
195.08136	4.0
195.10193	21.4
195.13857	0.6
198.06836	0.5
213.09142	20.2
213.11243	5.8
213.16209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03943	1.3
55.05515	19.0
55.39745	0.5
57.03430	1.7
57.07080	9.3
67.05501	5.3
69.03430	1.3
69.07074	3.7
69.51199	3.8
71.08640	0.7
74.50520	0.5
79.05490	3.7
81.07069	5.8
83.04987	7.9
83.08559	0.9
85.06544	6.0
88.07646	1.2
91.05486	4.0
91.05991	0.7
93.07046	13.6
95.04977	1.9
95.08611	11.2
97.06535	5.7
97.10155	0.6
98.58374	0.6
105.07033	4.0
107.08598	19.7
109.06538	3.7
109.10169	3.2
111.04446	100.0
111.08068	3.2
113.06010	1.4
115.05433	0.7
115.19861	0.6
117.07016	1.9
119.08605	2.1
121.06501	2.6
121.10116	3.2
122.07294	0.9
123.08073	1.6
125.06000	29.5
127.07575	3.5
130.07767	1.9
135.08060	14.0
135.11690	23.7
137.06059	0.7
137.13222	2.0
139.07545	5.2
143.08546	0.7
145.10127	16.9
153.12747	6.1
162.36551	0.6
163.11192	26.9
171.11676	0.9
181.12242	69.4
182.12578	0.8
195.13831	4.8
213.09071	0.7
213.12997	1.2
213.14864	2.5
213.16621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03934	2.7
55.01857	5.0
55.05512	17.0
56.96558	2.2
57.03440	16.0
57.07071	4.2
67.05508	73.3
69.07073	29.4
70.06584	1.7
70.63551	5.7
71.04991	7.0
79.05067	2.9
79.05496	34.9
80.70344	1.8
81.03411	2.5
81.07059	100.0
83.04974	14.0
83.08621	20.8
85.06542	5.4
87.14075	1.8
88.07632	7.7
91.05484	26.0
93.07050	71.5
93.07645	4.2
95.04959	6.7
95.08608	30.6
97.06530	18.0
97.10175	2.8
99.08089	5.5
105.07050	9.8
107.04958	2.6
107.08605	35.9
109.06505	4.0
109.10159	5.8
111.08092	10.9
117.07018	9.9
119.05030	2.0
119.08576	6.2
120.22956	1.7
121.06513	2.1
121.10150	24.7
122.77215	1.7
123.11700	2.0
125.09643	2.7
127.07538	2.0
128.06256	2.0
129.06921	4.0
131.08560	13.3
133.10118	10.8
135.08107	2.6
135.11700	15.6
139.11206	2.6
143.08604	4.5
147.11786	2.7
149.13269	58.9
157.10097	6.7
158.16261	1.7
159.11703	26.9
159.36336	1.7
171.11641	3.5
177.12726	13.9
195.06573	2.7
195.12073	2.5
195.13734	12.1
213.05490	7.2
213.09160	2.7
213.12766	5.8
213.14503	2.2
213.16425	11.0
221.15141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03942	1.3
55.01874	10.6
55.05514	46.7
57.03421	1.1
57.07071	1.1
59.05006	1.4
60.52223	0.6
67.01856	1.2
67.05507	20.9
69.03429	5.3
69.07076	10.0
71.04997	49.8
71.52945	0.9
79.05072	0.9
79.05498	13.4
81.03387	1.0
81.07063	21.3
83.04989	4.1
83.08624	31.0
85.02895	0.7
85.06548	4.5
87.04478	6.6
88.07642	0.9
91.05484	6.9
93.06485	0.8
93.07048	12.6
95.04950	0.8
95.08624	8.0
97.06536	64.1
97.10175	44.6
98.06867	0.6
99.08104	0.8
101.09639	1.7
105.07031	2.8
107.04943	1.2
107.07883	1.0
107.08603	15.6
109.06525	2.0
109.10158	12.0
111.08113	3.4
117.07022	4.0
119.04964	3.1
119.08561	1.4
121.06510	1.3
121.10151	2.6
125.06026	0.6
125.09643	28.8
127.07580	0.9
129.07053	0.7
131.08589	2.6
133.10158	2.9
135.08099	3.4
135.11688	5.4
137.09625	0.7
143.08519	0.7
143.10632	1.0
147.11682	1.1
148.53592	0.7
149.09615	2.0
149.13274	3.5
153.01834	1.8
153.09109	1.5
157.06566	0.6
157.10106	1.2
159.11690	3.8
167.14284	0.6
171.10214	1.4
177.12724	6.3
189.11246	6.0
195.02785	0.6
195.13815	38.0
212.06100	0.6
213.14851	100.0
214.15169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01863	3.1
55.05516	23.9
57.03424	5.2
59.81683	2.4
65.03951	2.9
67.05511	88.4
69.03425	3.5
69.07071	21.2
71.03974	5.0
71.04982	10.0
71.08627	2.5
79.05502	28.2
81.03414	3.3
81.07060	100.0
83.04980	9.2
83.08623	15.1
85.06544	14.7
87.04493	3.6
88.07643	6.8
88.40688	3.1
91.05479	30.0
93.07052	56.6
95.04975	5.3
95.08612	56.3
97.06520	18.5
97.10175	6.5
99.04509	3.1
99.08089	4.3
105.07045	10.9
107.08612	33.8
109.06477	3.4
109.10123	8.0
111.04437	2.8
111.08070	11.5
113.05999	3.2
113.09646	2.7
117.07021	12.8
119.04940	5.2
119.08533	2.9
121.10144	15.1
123.08079	3.3
129.07028	5.1
131.08591	19.6
133.10138	16.5
135.08075	5.2
135.11694	43.0
139.07495	3.5
141.06978	2.7
143.08563	3.3
149.13275	44.3
151.24402	2.8
153.01831	4.3
153.09097	3.8
157.06509	18.1
157.10146	5.7
159.11708	46.2
171.11595	4.8
177.12778	26.9
177.16367	8.9
185.05981	6.2
195.06477	6.0
195.08199	2.8
195.10094	4.1
195.13837	38.3
201.11473	2.9
213.03976	2.8
213.05508	24.4
213.09096	5.4
213.12680	7.6
213.14647	4.6
213.16586	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	213.1489
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.52536	0.9
50.78801	0.9
53.03940	2.5
55.01880	11.8
55.05519	50.5
57.03436	2.5
57.07087	2.2
59.05004	1.8
65.03933	1.3
67.05514	32.1
68.51118	1.0
69.03440	5.1
69.07082	13.3
69.88586	1.7
69.88978	2.4
70.06569	1.1
71.05006	48.2
79.05074	1.7
79.05507	22.9
79.29846	0.9
81.03413	2.7
81.07069	41.1
83.04994	10.6
83.08161	2.1
83.08631	33.1
85.02918	1.6
85.06558	6.9
87.04479	6.6
87.18162	1.0
88.07646	1.8
91.05492	11.0
93.07061	25.6
95.04966	2.9
95.08618	18.7
97.06546	69.5
97.10184	43.0
98.21452	1.5
99.04471	1.9
99.08103	2.0
101.09673	1.3
105.07060	4.9
107.08611	21.1
109.06557	2.7
109.10174	15.8
111.08096	7.0
113.05981	1.8
117.07043	5.6
118.63280	1.0
119.04959	3.4
119.08594	3.5
121.06493	2.6
121.10145	4.8
123.08095	1.6
123.11732	1.4
125.08781	1.7
125.09654	27.9
125.10574	1.6
128.06223	1.3
129.07048	2.4
129.56331	0.9
131.08611	7.3
132.15819	0.9
133.10138	5.2
135.08090	6.3
135.11705	12.0
143.08533	1.4
147.11719	2.2
148.73749	0.9
149.09627	2.1
149.13284	12.2
153.01895	1.5
153.09117	2.5
157.06517	6.3
159.10361	1.5
159.11723	9.6
162.60440	1.0
165.12740	2.0
167.07109	1.0
167.08542	1.0
167.10555	1.0
167.14339	4.7
171.11679	1.2
172.62971	1.0
177.12781	11.1
177.16287	1.6
185.05981	3.3
189.11310	4.9
195.06549	1.4
195.13828	46.4
213.03766	1.5
213.05527	11.8
213.09238	2.0
213.14874	100.0
214.09731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01866	1.2
55.05499	1.6
56.05023	0.8
56.21079	0.6
56.96303	1.3
56.96568	20.5
57.03431	1.0
65.03930	1.1
67.05495	1.2
68.05032	0.8
68.99793	7.1
69.03407	0.8
70.06595	18.1
71.51584	0.7
71.51985	0.7
72.93792	4.6
74.32491	0.6
74.97625	0.6
79.05486	1.6
81.03418	1.5
81.07047	1.8
82.06587	1.7
83.04959	1.4
83.08627	0.9
84.04510	2.0
84.08130	1.8
84.96004	0.9
85.02901	2.5
90.94835	5.0
91.05488	2.0
92.05813	1.8
93.03381	0.7
94.04214	0.6
95.05002	3.4
97.02882	1.7
98.06076	1.1
98.97620	0.7
99.04444	0.9
100.02471	0.8
100.07616	1.0
100.99136	1.8
110.09709	0.8
111.00853	0.8
111.04452	2.3
113.96418	1.2
116.01283	3.9
116.65140	0.6
116.97318	0.7
117.03328	0.7
119.01884	1.8
119.04941	1.8
120.05268	1.9
123.04443	10.9
124.07621	1.3
124.10381	1.3
124.11240	16.7
124.99091	0.8
125.01754	1.2
125.44250	0.7
126.03130	1.4
126.05520	1.7
127.03932	2.5
128.01271	1.2
128.07083	1.5
128.98654	0.8
130.08635	0.7
130.96249	0.8
131.97473	1.1
132.95827	4.5
133.02856	0.9
135.04393	1.0
137.01743	1.3
138.09155	1.0
139.03911	44.6
140.01270	0.8
140.04208	1.2
140.07051	0.7
141.00047	2.0
142.03522	1.3
142.12305	0.9
146.99730	1.2
149.01823	0.9
149.94099	0.8
149.96100	4.3
150.03111	6.6
150.96919	6.6
151.00706	1.3
151.03915	23.2
151.05139	1.2
152.98590	1.4
158.02676	0.9
159.02087	1.8
163.03900	3.1
164.01231	1.5
164.98592	0.8
165.00768	0.7
165.05501	0.8
167.00110	0.6
167.03526	0.8
167.97173	4.0
168.01141	1.2
168.02586	5.4
168.06639	1.5
168.10201	2.8
169.01753	0.9
170.02321	0.8
170.11772	100.0
170.99620	1.8
172.06004	0.9
172.97668	1.2
173.01785	6.8
176.98579	1.0
177.03104	2.1
179.00191	3.4
181.98947	0.7
182.02301	19.7
182.52495	1.8
182.99669	0.9
185.01288	0.9
186.07671	0.7
190.98615	1.5
191.02840	38.2
191.53044	2.1
191.97153	2.8
193.53136	2.0
194.99710	6.5
196.09688	3.2
196.51123	0.6
197.01228	5.8
197.06134	0.8
198.99188	1.5
200.00143	1.0
200.03398	9.4
200.69759	0.6
201.00682	3.3
202.53639	2.3
206.99651	1.3
208.99640	0.7
209.01344	0.7
209.98241	1.6
213.00713	22.2
214.05247	1.0
214.07318	1.0
214.10873	4.9
214.12622	0.8
214.14215	3.0
214.18079	1.5
215.02376	0.9
215.06892	0.6
217.00171	0.7
219.01768	1.4
225.00706	2.9
227.99417	1.4
231.01776	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	214.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88640	52.5
71.74900	10.3
103.22564	10.4
158.00214	10.4
214.05876	100.0
217.21693	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	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05515	30.6
56.05042	12.7
56.96569	1.7
57.03429	2.1
57.07073	1.7
65.03919	1.2
67.05183	1.2
67.05510	16.1
69.03429	1.7
69.07072	25.0
70.06596	2.9
70.85221	1.5
70.85583	2.7
71.04979	2.3
72.93797	1.4
79.05499	8.2
81.07060	52.4
82.06585	1.4
83.04985	4.3
83.08161	1.2
83.08627	19.2
84.08118	1.6
85.02893	1.6
85.06528	3.0
90.94816	1.5
91.05482	8.1
93.07051	9.3
95.04935	1.8
95.08613	51.6
96.08167	1.1
97.06540	8.4
97.10184	7.7
98.06094	1.4
98.09698	100.0
99.08105	2.0
101.06038	1.5
105.07033	8.8
107.08564	4.9
108.08197	1.1
109.06522	1.7
109.10143	4.9
111.08088	2.6
115.07584	1.8
117.12952	0.9
119.08585	14.8
121.10149	4.7
123.08073	5.0
132.95824	1.3
133.10143	10.4
135.11707	7.8
137.09596	2.7
137.13257	10.7
140.99994	1.3
141.11472	1.2
149.96115	1.1
150.96855	1.3
152.14384	1.0
158.02766	1.4
161.13254	25.6
168.10188	1.7
172.97855	1.1
179.14291	7.6
196.09676	1.6
196.16988	13.2
205.44960	1.0
214.10858	2.3
214.14590	2.0
214.18037	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	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
53.60844	0.7
55.01875	1.0
55.05270	1.0
55.05518	14.0
56.05037	5.5
56.79736	0.7
56.96553	2.1
57.03429	1.2
57.07070	1.1
58.06586	0.8
65.03934	0.8
67.01865	2.8
67.05504	8.0
68.02206	1.3
69.03426	1.6
69.07072	3.6
70.06591	4.8
70.99419	0.7
71.05002	1.7
71.52570	0.8
72.08154	3.2
72.93785	2.7
73.06538	4.1
77.93278	0.7
79.05494	4.7
81.07057	10.9
82.06594	1.0
83.04969	4.4
83.08619	1.5
84.04519	0.8
84.08160	1.4
85.02902	3.6
86.03219	1.1
86.06071	1.6
90.94828	2.4
91.05491	11.4
92.05808	10.8
93.07050	1.7
94.06562	0.9
95.04998	1.0
95.08607	13.1
96.08141	1.0
97.02911	0.9
97.06550	2.1
98.06061	22.3
98.09695	12.3
98.10275	1.1
98.97585	3.0
99.04436	0.9
105.07027	1.2
107.04969	1.8
107.08614	2.4
108.05293	1.8
108.08168	1.4
109.06548	1.4
109.10139	5.4
110.06076	0.9
111.08079	1.8
112.07640	1.6
113.96387	1.3
116.10740	100.0
116.98659	1.4
119.04961	11.6
120.05268	15.7
121.06014	1.7
123.08047	1.1
124.07587	1.7
124.11233	7.9
125.09649	1.0
126.09138	2.8
128.98615	0.7
132.95850	2.9
136.07585	9.4
137.06001	2.8
138.09148	10.1
138.12846	0.7
140.10703	1.2
141.00104	1.2
149.93965	0.8
149.96149	2.8
150.96925	1.5
151.14867	2.2
153.12779	1.8
154.08633	0.8
156.10278	1.0
158.99716	1.2
164.03426	0.8
164.07018	5.3
166.07375	1.5
167.07030	0.8
167.97266	2.3
168.07399	1.1
168.08971	1.3
168.10208	26.3
168.17513	1.1
171.02907	1.4
172.03259	4.9
172.97725	1.6
177.00732	1.2
177.06671	0.8
178.07326	1.2
179.14310	6.0
182.08203	1.4
191.97182	1.0
196.08270	1.2
196.09871	1.7
196.13397	1.2
196.16972	5.5
203.51990	0.7
214.07179	1.4
214.09071	6.5
214.10948	3.0
214.12462	0.9
214.12772	0.8
214.14420	3.9
214.17993	11.2
215.07129	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	215.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71768	1.1
55.01868	1.4
56.96555	1.6
57.03441	2.1
61.02915	1.3
66.06729	1.2
69.03412	2.6
69.07066	1.5
69.96181	3.9
70.06592	19.8
70.95875	1.6
71.04973	1.2
71.51181	2.0
71.94122	1.1
72.08160	100.0
72.93786	1.9
73.06550	2.3
79.05455	1.6
81.03408	1.2
82.99870	3.3
84.04510	4.0
84.08139	5.0
85.02911	3.2
86.09720	8.7
87.10051	2.0
97.02895	4.3
101.00883	19.6
102.00978	3.4
113.00897	2.3
113.95144	3.0
115.02461	1.8
116.07080	1.8
118.03518	1.2
119.01932	32.1
120.02029	7.3
127.02420	22.7
127.03938	2.8
127.96715	1.1
129.03995	4.8
131.01903	3.6
131.96159	43.1
132.95845	9.0
133.03471	2.5
136.06154	1.2
137.02921	3.5
138.03069	1.3
139.01581	2.4
143.01900	2.4
145.03471	70.2
145.97733	1.2
146.03694	1.8
147.05029	1.8
149.96091	2.0
149.97205	29.7
150.96924	6.5
153.03987	1.6
154.97737	13.1
155.01982	1.5
157.03552	1.7
159.05119	5.7
161.02922	1.5
163.04535	3.1
168.99763	2.8
169.03511	2.8
171.05025	21.0
172.98834	17.0
173.02985	5.3
173.97243	2.1
174.80457	1.5
175.00940	1.5
177.06134	2.1
187.00914	1.6
187.04521	32.2
187.10002	5.5
189.06093	3.6
191.97173	4.3
197.02963	3.4
205.05553	10.6
205.11055	1.4
209.98274	2.1
214.84904	2.0
215.00316	4.6
215.04021	13.3
215.07593	2.3
215.09509	3.4
215.13956	12.2
233.01440	2.2
233.05119	3.7
233.10406	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03944	1.8
55.01875	2.0
55.05272	1.4
55.05520	18.9
57.03445	2.6
57.07084	1.6
67.05513	30.9
69.03422	1.3
69.06734	1.6
69.07080	24.8
71.05005	11.6
71.10857	2.7
73.06564	1.3
79.05506	15.2
81.07068	73.4
83.04987	4.2
83.08625	21.5
84.23693	1.1
85.06554	20.2
87.04436	1.4
91.05492	19.5
93.07054	19.3
95.08620	100.0
97.06551	21.5
97.10170	7.9
99.08100	10.1
105.07051	21.6
107.08608	11.1
109.06530	2.0
109.10165	8.1
111.08090	4.0
113.06079	1.3
113.09647	3.7
115.07613	1.3
117.53217	1.2
119.08598	33.8
121.10167	9.3
123.08084	6.4
127.07565	2.0
131.08586	1.2
133.10141	22.2
135.11722	19.1
137.09631	4.1
137.13261	19.0
151.14801	1.7
161.13277	76.1
179.12746	2.3
179.14331	39.1
180.06953	1.1
197.15369	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03949	1.6
55.05510	26.5
57.03428	3.6
57.07064	2.5
59.56004	1.2
67.05509	32.1
69.07071	27.3
69.60838	5.6
71.05000	12.4
73.06544	1.4
74.09722	2.2
79.05493	16.5
81.07058	72.7
83.04977	4.9
83.08625	22.2
85.06541	20.6
91.05484	17.8
91.80729	1.1
93.07042	18.5
95.04972	1.8
95.08610	100.0
97.06528	24.1
97.10180	7.7
98.20789	2.3
98.98467	2.2
99.08094	9.2
101.06017	2.2
105.07037	22.7
107.08580	8.4
109.06493	3.2
109.10143	8.9
111.08096	5.1
113.09657	2.7
115.07584	2.9
117.07050	1.9
119.08586	35.4
121.00819	1.1
121.10155	9.5
123.08060	7.9
127.07556	2.1
131.08627	2.0
132.95837	3.6
133.10144	24.4
135.11708	17.9
135.74579	1.2
137.09656	3.2
137.13269	17.2
139.01564	3.3
142.31636	1.5
150.96909	4.1
159.11691	3.9
161.13261	77.6
162.47971	1.4
169.10022	1.4
173.09518	2.2
179.14308	32.7
187.11263	1.7
191.97136	3.0
197.15364	14.0
215.14294	3.6
215.16103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32028	16.8
53.75556	15.2
70.01643	61.8
82.36437	14.0
84.08134	15.4
98.20691	24.5
167.94455	16.9
219.02618	100.0
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	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96560	1.2
57.03439	0.7
67.05500	1.1
70.76937	1.1
70.77269	1.1
74.50871	0.6
91.05487	8.8
95.05006	0.9
95.08681	0.5
103.05472	1.7
104.49812	0.5
105.00961	0.6
105.07008	2.4
115.05451	7.7
116.06201	2.6
117.07013	2.6
119.04967	0.5
119.08578	1.2
128.06227	6.4
129.07011	29.0
130.07741	2.1
131.04938	4.8
131.08571	28.3
133.06511	0.7
133.10158	1.5
135.11618	0.7
137.05969	3.3
141.07004	25.4
143.04913	1.5
143.08557	1.8
144.05727	3.3
145.06517	4.8
145.10089	1.1
146.07265	4.2
147.04410	0.7
148.05144	0.9
151.03879	1.4
151.33919	0.6
155.06081	1.0
156.05649	0.8
157.06496	15.8
158.07285	16.8
159.04463	1.9
159.08063	20.3
159.11690	1.0
160.05202	4.6
161.05942	0.8
161.09650	2.9
163.07526	2.4
168.05675	1.2
169.06467	10.1
169.07655	1.1
170.07249	4.7
173.05989	3.9
173.09598	0.9
174.06776	56.1
175.07542	7.7
185.05992	0.8
186.06789	14.3
187.07579	1.6
188.08331	2.2
189.09117	69.9
190.09541	0.9
191.07030	1.0
191.10692	5.2
201.09109	34.0
203.14381	1.6
209.61124	0.6
219.10170	100.0
219.17421	8.5
220.10545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
55.01870	2.0
55.05512	2.0
56.96567	1.6
57.07059	1.2
57.14326	0.8
65.03944	0.9
67.05505	2.6
68.99783	2.7
69.07076	1.1
71.17135	2.3
77.67000	0.8
79.05499	1.7
81.03423	1.7
81.07059	4.1
91.05486	8.3
93.07047	2.9
93.77721	0.8
95.04959	2.7
95.08586	1.7
103.05459	2.4
105.07035	4.9
107.04948	1.4
107.08591	2.5
109.02906	1.3
109.06476	1.3
109.10120	1.4
111.04520	0.9
115.05478	4.8
116.06237	2.2
117.07027	4.0
119.08581	2.8
121.06513	2.2
121.10146	1.7
123.04451	3.2
123.08044	1.1
125.05984	1.2
127.03907	0.9
128.06229	4.4
129.07019	21.8
130.07768	2.9
131.04930	5.5
131.08577	24.8
133.10172	5.1
137.05943	1.5
141.07002	19.9
142.07771	0.9
143.08583	1.9
144.05696	3.4
145.06494	3.4
145.10139	6.6
146.07257	2.6
149.05942	2.2
149.09607	1.5
151.03922	60.1
157.06477	10.6
157.07639	1.4
158.07307	13.2
159.04382	2.4
159.08076	17.8
159.11719	3.5
160.05215	3.5
161.09589	2.8
161.13257	1.9
163.03824	1.5
163.07553	1.7
165.05467	2.4
169.06506	8.3
170.07288	3.6
173.06029	2.5
173.09544	1.9
173.13283	1.6
174.06789	42.9
175.07544	6.0
177.05486	5.0
177.09109	1.5
186.06769	10.4
188.08290	2.3
189.09128	61.2
191.10693	5.8
201.09125	28.0
201.12733	2.6
201.16422	2.1
203.14294	4.6
219.10182	100.0
219.13795	5.8
219.17424	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96559	0.7
57.03421	0.7
63.88237	0.7
67.05515	0.9
70.64687	0.9
70.65026	1.4
91.05489	7.6
93.07069	0.8
103.05464	2.0
105.07036	1.3
107.08575	0.9
109.10092	0.6
115.05442	7.4
116.06235	2.0
117.07002	2.5
121.10147	1.0
128.06252	6.5
129.07016	27.8
130.07785	2.0
131.04918	5.7
131.08572	28.2
133.10098	1.5
137.05971	3.5
141.07002	27.3
143.04933	1.3
143.08559	2.0
144.05733	3.6
145.06499	4.4
146.07245	3.9
151.03900	1.2
157.06500	17.6
158.07278	14.9
159.04401	2.3
159.08069	19.4
160.05209	3.8
161.09627	2.6
162.06808	0.7
163.07513	1.3
168.05629	0.8
169.06503	12.6
169.07813	0.9
170.07292	5.4
171.08076	1.0
173.02347	1.0
173.05995	4.3
173.09624	1.1
173.13179	0.7
174.06783	51.2
175.07568	7.8
177.05519	0.8
177.09227	1.3
186.06761	16.1
187.07518	1.2
188.08327	2.9
189.09119	81.6
191.10684	5.4
201.09120	29.0
201.10979	1.6
203.14264	1.6
219.10170	100.0
219.17314	6.4
220.10493	1.0
220.16959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03937	0.6
55.05517	5.5
57.03417	1.7
57.07064	2.0
59.04983	1.9
65.03945	0.7
67.05508	8.1
69.03427	1.3
69.07069	25.8
70.32925	0.5
70.59690	1.4
70.60042	0.6
70.77814	0.5
71.05000	5.0
79.05505	5.0
81.06601	0.7
81.07057	12.5
83.04955	1.9
83.08626	4.3
85.06519	2.8
90.24597	0.5
91.05486	5.6
93.06491	0.8
93.07047	11.8
95.04954	3.4
95.08607	19.0
97.06517	2.0
97.10147	2.1
105.07034	16.6
107.04935	0.9
107.08596	17.9
109.06541	4.2
109.10161	21.3
111.08092	1.6
113.09654	0.6
117.07017	2.8
119.08582	17.4
121.06518	2.8
121.09338	1.2
121.10152	16.7
123.08079	2.8
123.08833	0.7
123.11725	5.7
125.09607	2.0
129.06995	1.0
130.07765	1.5
131.08551	6.5
133.10130	9.3
133.55074	0.6
135.08066	3.8
135.10699	0.9
135.11697	13.3
137.09631	8.5
137.13202	2.8
143.08521	1.0
145.10130	16.0
146.06055	1.0
147.11720	4.3
149.09618	8.0
149.13278	4.8
151.11165	2.2
157.10184	0.6
159.11714	9.5
161.09673	1.1
161.13252	8.8
163.11188	15.0
163.14807	0.9
173.13249	3.6
175.14819	6.1
177.12787	3.5
177.16370	1.3
186.14053	0.6
191.17934	8.5
201.16373	15.4
203.14294	6.0
213.52394	0.6
219.17445	100.0
220.17795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.6
56.05020	0.5
57.03416	0.5
57.07082	4.4
59.04321	0.3
59.04973	0.9
64.01958	0.3
67.05500	1.7
69.03432	2.0
69.07051	1.3
69.63207	2.0
69.63622	0.6
70.02927	1.0
70.06587	2.2
72.04524	3.3
72.08161	11.7
73.02874	0.9
74.02442	17.3
79.05482	1.0
81.06650	0.4
81.07058	4.2
82.02946	2.5
83.08628	0.8
84.00104	0.3
84.04472	0.8
84.08131	0.5
85.06075	0.5
85.06550	6.0
86.06071	6.8
87.04474	19.8
87.08126	0.4
90.05559	18.2
93.07020	2.0
94.06541	0.3
95.04945	1.6
95.08612	3.4
96.04488	3.8
96.08076	0.4
97.02895	2.6
98.02416	3.8
98.06058	29.0
98.09710	2.3
100.03995	1.7
101.09653	3.5
103.07593	1.6
110.06039	0.3
110.09658	1.7
111.08061	0.8
112.11253	1.4
113.05956	0.5
116.03441	3.2
120.08120	0.6
121.06512	0.7
124.07597	4.0
128.07059	0.8
128.10732	4.4
138.09142	6.6
139.07542	2.4
140.10710	19.9
142.04985	1.3
142.08617	1.9
144.10228	3.4
146.05997	0.4
156.10207	17.2
158.11772	100.0
160.09714	0.5
162.05487	0.4
166.08656	0.7
174.05472	0.5
174.11273	14.8
184.09702	16.6
192.14229	0.3
202.10757	9.1
202.14372	10.5
204.14664	0.8
205.15918	1.6
220.11855	21.0
220.15416	19.6
220.17809	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01882	1.5
55.05516	1.4
57.07079	6.3
59.05011	5.1
60.44156	0.6
67.05505	5.4
69.07075	4.9
70.02962	6.6
70.56384	0.6
70.56721	1.7
72.04525	15.1
72.08169	1.9
73.02923	3.0
74.02465	1.8
76.53751	0.6
80.22053	0.7
81.07054	1.1
83.05000	1.5
85.06548	10.7
86.06075	0.8
86.09705	1.3
87.04480	2.2
87.08122	2.4
90.05564	100.0
95.04977	7.0
96.08126	2.6
98.02425	17.3
98.06094	3.6
98.09713	2.3
98.20815	0.7
100.03992	2.5
100.27471	0.8
103.07596	7.4
113.06030	2.2
114.13854	0.7
116.03466	14.1
124.07601	16.7
129.46269	0.6
132.10213	0.7
140.10703	2.9
142.08656	9.0
144.10211	4.6
156.10184	0.8
158.11798	15.8
160.09683	2.3
166.08665	2.1
166.70425	0.6
172.17702	0.6
172.74840	0.7
174.11281	2.8
184.09714	23.8
202.08830	1.6
202.10760	32.3
202.14491	2.2
205.15894	1.1
220.11824	49.6
220.15434	2.5
220.17642	1.3
238.00293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
51.95684	0.5
55.01876	1.7
55.05518	4.7
56.05027	1.1
57.03440	7.6
57.07079	1.4
58.99592	7.6
60.04547	0.5
60.08154	0.6
60.48617	0.5
67.05504	0.7
68.05011	0.9
69.03461	0.7
69.07069	1.0
69.62563	1.5
69.62974	1.1
70.06602	0.9
70.23663	0.5
72.04509	0.9
72.08160	0.6
76.02236	6.5
78.04244	0.5
79.05498	5.5
81.07065	34.6
84.04518	0.6
84.08150	1.0
85.00646	1.0
85.01138	11.5
85.01654	0.7
86.00671	3.9
86.09724	4.8
86.99061	6.2
87.02708	12.2
87.04476	65.7
88.03990	0.8
89.00613	0.5
90.05555	1.5
91.05496	1.1
91.21133	0.5
93.07087	0.7
94.87592	0.5
95.08621	0.7
98.09700	1.1
98.21494	0.8
98.97594	0.8
99.08088	4.2
102.03777	11.7
105.00101	6.3
105.07006	1.5
107.08552	0.7
109.02869	0.6
110.07171	2.2
113.04236	1.6
116.98624	0.7
117.07017	1.0
117.76683	0.5
118.06551	5.2
119.07352	6.5
120.04819	0.6
120.08144	0.9
121.06532	0.9
122.02739	11.0
123.08057	0.5
124.07609	0.6
130.06691	0.5
131.01648	9.4
132.01157	6.4
132.08168	0.8
134.09662	100.0
134.48059	0.6
147.04491	0.7
148.04282	39.7
156.08549	0.7
157.06810	0.6
159.04773	6.7
163.03944	0.7
164.10710	1.1
174.11351	1.0
174.12674	0.9
177.12767	0.7
192.02861	0.6
192.06479	0.6
194.24406	0.5
202.08984	15.1
202.10814	1.3
202.18018	6.4
203.07353	5.4
204.14665	1.4
205.15874	4.3
208.54771	0.6
214.90994	0.5
220.09917	3.1
220.13356	96.9
220.17238	3.8
220.19106	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.07079	0.1
59.49562	0.1
70.49901	0.3
90.05561	0.2
95.08585	0.2
98.21423	0.1
118.06548	7.7
119.07357	0.4
120.08102	0.4
126.82311	0.1
132.08096	2.4
133.08888	1.1
134.09653	0.7
144.08011	0.2
146.09647	2.1
147.10463	0.3
151.03915	0.5
152.04237	0.9
154.81422	0.1
160.11229	0.4
162.09137	5.2
176.10782	3.5
176.14359	25.3
177.11481	1.4
177.14742	0.1
189.15085	0.2
190.12274	2.8
202.10646	0.2
202.15878	0.7
204.13692	0.2
205.16029	0.2
220.16974	100.0
221.17288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24263	0.2
54.87988	0.2
61.10474	0.2
63.90948	0.2
69.41962	0.8
69.42406	0.6
91.05486	0.2
118.06548	7.5
119.07372	0.3
132.08102	1.2
133.08864	0.6
134.09622	0.3
138.54535	0.2
138.98869	0.2
144.08110	0.2
146.09654	1.9
147.10442	0.3
160.11118	0.3
162.09152	5.8
175.07021	0.2
176.10918	1.3
176.14355	22.6
177.11465	0.6
177.14760	0.2
190.12289	2.4
202.15909	0.7
205.15929	0.3
220.16972	100.0
221.17303	0.9
221.79260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.76517	0.6
56.45947	0.5
70.22710	1.8
73.02882	1.1
74.02435	1.3
82.02927	2.1
82.69512	0.5
88.71623	0.5
90.32468	0.6
91.81873	0.6
94.06570	3.1
97.02896	0.8
98.21405	0.8
98.97488	0.6
104.04960	0.8
115.05504	0.8
130.06532	80.8
132.04457	40.8
147.09213	0.7
148.07613	2.9
152.65401	0.6
157.07619	52.7
158.06021	80.7
162.05411	1.0
175.08676	100.0
176.07066	2.1
176.08917	0.9
185.07114	2.4
186.05475	2.8
203.08165	36.0
204.06575	4.7
220.59258	0.6
221.09244	20.1
221.11395	1.3
221.15582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05500	3.2
56.96565	1.5
57.07067	2.7
59.04986	1.5
61.93520	0.8
66.47800	0.7
67.05501	3.7
69.07073	6.9
71.04961	1.1
73.12395	0.7
79.05478	2.7
81.07054	7.3
82.57732	0.9
83.08614	3.1
85.02895	5.2
91.05466	3.3
93.07057	4.0
94.25246	0.7
95.04972	1.4
95.08612	6.8
98.21558	2.8
100.55775	0.8
105.07037	7.1
107.08620	4.3
109.06544	5.2
109.10159	4.6
111.08093	1.3
119.08587	9.7
121.06515	2.3
121.10161	5.6
123.04486	0.9
123.08099	6.8
123.11716	2.0
125.06013	1.0
125.09637	1.1
130.06523	1.0
131.08543	1.4
133.10136	18.3
135.08008	1.3
135.11691	2.5
137.05946	1.4
137.09683	1.9
137.13310	1.8
139.42464	0.8
143.05252	0.9
145.10106	3.0
147.04398	2.7
147.08072	0.9
147.11690	3.1
151.07571	15.7
157.10120	1.3
159.11684	2.6
161.09647	2.0
161.13275	27.4
162.27330	0.8
163.11247	1.7
163.14848	1.1
165.09154	4.2
175.11153	1.2
175.14790	3.6
177.16441	1.0
179.14316	2.9
185.13283	2.9
193.15886	1.0
203.03369	3.9
203.10812	1.0
203.14343	2.9
203.17993	3.6
221.04428	4.0
221.11778	3.5
221.15378	100.0
221.18947	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05512	16.5
56.96552	3.1
57.03422	3.0
57.07072	6.1
59.96704	1.7
67.05511	32.4
69.07069	10.7
71.04990	8.1
71.08637	1.7
73.06548	2.3
79.05487	10.4
81.07068	29.2
83.05015	2.9
83.08627	3.8
90.05500	1.8
91.05466	10.7
93.07052	21.7
95.04962	3.4
95.08614	100.0
97.02883	2.1
97.06515	2.0
97.10168	20.5
99.08107	5.8
104.73866	1.5
104.85375	1.5
105.07037	20.7
107.04925	2.1
107.08600	29.9
109.06544	4.7
109.10166	18.5
119.08582	21.9
121.10152	55.4
123.08102	4.2
123.11701	10.7
125.09635	3.1
131.08598	2.5
133.06432	1.8
133.10141	31.1
135.11734	5.4
137.05984	2.5
137.09627	2.5
137.13307	2.8
139.11169	15.4
145.10204	2.5
147.04448	3.9
147.08055	2.5
147.11690	25.1
149.13277	10.2
151.11195	8.9
159.11754	2.8
161.05965	2.2
161.09682	2.3
161.13319	14.3
162.52316	1.6
163.11330	1.9
163.14845	18.9
165.09145	3.1
165.12744	2.1
175.11182	2.5
175.14859	4.0
179.10823	2.0
193.15967	1.7
203.03438	13.0
203.10760	3.8
203.14362	4.0
203.17986	36.9
221.04442	12.7
221.07912	4.7
221.11797	6.3
221.15599	13.1
221.19034	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.2
54.36839	1.0
55.05526	8.4
57.07069	2.5
58.33488	1.0
63.34082	0.9
65.58149	0.9
67.05515	7.6
69.03443	1.1
69.07069	9.8
71.04999	16.9
71.09917	2.4
79.05502	15.5
81.07063	67.3
83.04996	1.5
83.08614	5.8
83.31795	1.2
85.06520	1.1
91.05469	9.7
93.07050	35.1
95.08617	30.3
97.06527	2.3
97.10182	2.5
99.08096	4.3
105.07027	21.0
107.08605	58.8
109.06528	1.5
109.10160	23.6
111.08089	2.0
119.08584	36.3
121.10154	8.7
123.08053	2.0
123.11730	15.8
125.09624	2.8
127.11208	7.5
129.68578	1.2
131.08589	1.5
131.92094	1.0
133.06427	1.2
133.10143	21.9
135.11702	100.0
137.09637	2.2
137.13245	2.4
139.11195	1.9
145.10085	1.7
147.04370	1.3
147.11696	17.2
149.13240	6.9
151.11211	3.7
157.10030	1.0
159.11708	1.5
161.13277	10.5
163.14877	3.9
165.12802	1.4
175.14844	4.1
177.16463	1.2
203.03429	1.8
203.14355	1.6
203.17979	36.6
221.04456	2.5
221.15486	4.0
221.19034	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.1
55.05507	7.3
56.96566	1.2
57.07067	3.2
62.04126	0.9
65.03940	1.1
67.05504	8.4
69.07072	9.3
69.68345	4.2
71.04990	15.0
79.05502	13.2
81.07064	64.3
83.04984	2.2
83.08620	4.6
85.06529	2.8
87.08060	1.0
91.05476	13.1
92.08589	1.0
93.07053	34.4
93.34895	1.1
94.15916	1.1
95.04987	2.0
95.08613	23.5
97.06495	2.0
97.10169	2.5
99.08087	3.7
105.07037	22.8
107.08604	54.3
109.06533	3.6
109.10167	17.6
111.08084	2.6
111.11732	1.2
117.07013	1.7
119.04884	1.3
119.08593	38.1
121.06493	2.3
121.10140	8.6
123.08094	3.4
123.11710	14.0
125.09638	1.5
127.11218	6.1
131.08589	1.4
133.10146	24.1
135.11703	100.0
136.08873	1.4
137.05905	1.1
137.09604	3.6
137.13246	3.0
145.10130	3.2
147.04437	2.1
147.08058	2.0
147.11690	20.9
149.13298	5.8
151.11201	3.0
159.11685	1.7
160.12529	1.8
161.09645	2.0
161.13313	11.1
163.14789	2.5
165.09119	1.4
165.12752	1.7
175.04034	1.3
175.07481	1.2
175.11197	1.2
175.14868	3.6
177.16425	2.0
189.07300	1.8
193.08560	1.0
194.12143	1.2
200.06763	0.9
203.03403	11.4
203.14320	2.4
203.17984	28.7
206.16258	2.0
211.94994	0.9
221.04459	13.2
221.07924	2.3
221.11758	2.7
221.15512	11.7
221.19017	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1126
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.05516	0.9
57.03447	0.6
60.04517	0.6
70.06592	6.6
71.51769	1.1
72.08144	1.2
80.04993	0.6
82.06541	0.6
85.02888	0.9
91.05457	1.4
94.96280	0.6
98.97579	0.6
105.07047	0.7
106.06550	1.1
107.08604	0.6
115.05438	0.7
116.07080	4.9
116.98566	0.7
117.07024	0.8
118.06551	3.1
119.07311	2.4
119.08586	1.0
120.08122	1.0
121.06499	0.8
123.08119	0.7
127.07059	1.1
130.06508	2.1
131.07309	0.9
132.04430	1.0
132.08092	0.7
134.06039	1.5
134.09647	9.3
136.07547	0.8
144.08102	6.1
145.08876	3.3
146.09615	1.5
147.04376	1.7
148.07582	1.2
159.06345	2.5
160.11221	40.7
162.05502	0.8
163.03871	2.0
172.03940	1.2
174.09160	22.7
175.08592	0.7
176.03217	0.8
176.07106	5.1
176.09048	3.6
176.10699	1.8
177.07838	1.8
185.73282	0.6
192.10197	38.4
194.04323	0.6
194.11844	0.6
204.10172	4.0
204.42043	0.6
216.97954	0.7
222.07664	4.3
222.11261	100.0
223.11531	1.0
225.33681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1853
Annotation	Tapentadol
Peak:m/z	Relative Intensity
55.01856	0.2
56.96584	0.2
57.07081	0.2
59.02944	0.2
62.15403	0.2
63.97107	0.1
69.03435	0.3
70.64699	0.6
71.05009	0.2
81.07058	0.4
83.04969	0.3
91.05480	0.4
93.07076	0.3
94.06585	0.3
94.07337	0.2
94.94421	0.2
97.06528	0.2
98.97559	1.0
102.10526	0.2
105.07036	0.2
107.07343	5.1
107.08541	0.2
114.47514	0.2
116.98621	0.8
118.06528	0.2
118.07357	0.2
119.08572	0.3
120.08098	1.9
121.10148	0.2
123.08042	0.2
131.05031	0.2
134.09628	0.9
134.99666	0.3
136.11162	0.3
137.84012	0.2
148.04742	0.2
148.11211	0.2
149.02351	0.2
150.09215	0.2
151.09924	5.3
158.01321	0.5
162.12653	0.2
164.10762	1.6
165.11476	0.2
176.04404	0.2
177.09140	0.5
178.09515	1.8
178.12325	0.7
178.15919	21.9
179.03436	0.2
181.80074	0.2
204.03738	1.6
204.17535	0.6
205.04907	0.3
222.04861	2.0
222.18539	100.0
223.05994	0.7
223.18909	0.5
235.67780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Pisonin B
Peak:m/z	Relative Intensity
53.03949	1.0
53.44226	0.2
54.24546	0.2
55.01875	0.6
57.07069	0.3
59.04991	0.2
59.35332	0.2
65.03940	0.5
67.01866	0.5
67.05519	0.5
68.99788	0.3
69.03435	0.7
69.07064	0.7
71.52615	0.2
73.02925	0.2
77.03932	0.4
79.01885	0.2
79.05490	1.1
81.03426	1.0
81.07069	0.7
83.04973	0.4
83.08625	0.5
85.02912	0.4
85.06536	0.3
89.03978	0.2
91.05471	1.4
93.03426	1.5
93.07044	1.5
95.01328	0.6
95.04982	0.9
95.08619	0.8
97.02903	0.3
97.06550	0.4
98.98460	0.5
99.95770	0.2
101.33752	0.2
103.05465	4.3
105.03404	0.4
105.04524	0.4
105.07056	0.4
107.04969	0.8
107.08605	0.7
109.02885	0.9
109.06521	0.4
109.10153	0.4
111.04469	0.3
111.08066	0.3
117.07034	0.5
119.08575	0.6
121.02859	0.7
121.06506	3.0
121.10114	0.6
123.04375	0.2
123.08044	0.3
125.09643	0.3
127.03891	0.2
131.04933	8.0
131.08565	0.2
135.04408	1.1
135.11670	0.3
137.05980	0.3
137.09595	0.3
139.03961	0.4
139.07581	0.4
145.02802	0.3
145.06454	0.6
145.10088	0.4
147.04411	0.3
149.02338	2.7
149.05998	3.2
153.05441	0.7
154.66846	0.2
159.04414	8.0
159.11685	0.4
162.03079	0.2
163.03893	3.6
163.07544	0.3
163.11165	0.6
165.09142	0.2
167.03351	0.5
167.04698	0.6
177.05463	6.7
177.09035	0.2
177.12782	0.2
178.13115	0.3
179.03433	0.7
180.04103	0.3
181.04961	5.4
181.12216	0.3
187.03897	12.4
190.02597	0.5
195.06564	0.9
205.04958	47.8
205.12296	0.6
206.05353	0.4
223.06001	100.0
224.06419	0.9
225.04179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Diethyl phthalate
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	1.3
55.05507	1.1
57.07052	0.5
59.05012	0.5
67.05508	1.1
69.03423	1.1
69.07066	1.1
69.20254	3.0
71.04992	0.7
72.08138	0.3
73.02916	0.7
75.04461	0.5
76.30320	0.3
77.83410	0.3
78.04683	0.3
79.05491	2.2
81.03407	0.7
81.07056	1.7
83.04988	1.1
83.08609	0.5
84.08130	0.6
85.02912	1.0
86.09708	0.5
89.06013	0.6
91.05477	3.9
92.05757	0.4
92.06300	0.3
93.07051	2.2
95.04970	3.5
95.08626	0.7
96.08150	0.3
97.02888	1.2
97.06524	0.8
98.97549	0.4
99.04449	0.8
102.96857	0.3
103.05459	2.5
105.03384	0.9
105.07047	3.2
107.04964	2.1
107.08598	3.5
109.02850	0.3
109.06509	1.7
109.10136	0.8
111.04435	0.8
111.08065	1.0
115.05469	0.3
116.06269	0.4
117.07024	1.5
118.04131	0.4
119.04961	1.6
119.08574	1.8
120.05721	1.0
121.02901	0.5
121.06509	5.0
121.10147	2.2
123.04454	0.8
123.08070	1.7
125.02217	0.3
125.05998	0.8
125.09623	1.0
129.05553	0.7
131.04933	1.4
131.06854	0.5
131.08551	1.1
132.05705	0.5
133.02841	0.5
133.06487	2.2
133.10143	0.6
134.03458	0.3
134.07262	0.7
135.04408	0.7
135.08046	2.7
135.11678	1.0
136.05139	0.4
137.05983	2.4
137.09605	0.9
139.07559	1.4
139.11115	0.5
145.02843	0.4
145.06459	0.9
145.10114	1.3
147.04398	2.4
147.08040	1.2
148.05205	1.5
149.02348	4.4
149.05978	11.3
149.09622	0.8
150.06734	1.2
151.07483	1.7
151.11156	0.4
153.09123	0.3
158.56866	0.3
159.04413	1.0
159.08064	0.5
159.11687	1.4
160.05196	1.2
161.05956	2.7
161.09579	0.6
162.03098	1.6
162.06778	3.1
163.03860	1.0
163.07545	4.6
163.11211	2.7
164.04680	0.6
164.08310	1.9
165.05473	6.6
165.09109	3.2
166.06328	1.4
166.07533	0.3
167.03360	0.4
167.07050	1.8
175.07587	0.4
176.04698	0.8
177.05473	46.1
177.12729	1.1
178.06282	0.7
179.03590	0.3
179.07056	5.0
179.10661	0.5
180.07814	5.5
181.08675	1.8
181.09958	0.3
181.12273	1.3
187.11206	0.9
189.05418	0.5
190.06253	6.1
191.07039	6.8
191.08733	0.2
192.07813	100.0
193.04970	5.9
193.08600	1.5
193.12221	0.4
195.02919	0.6
195.10201	5.1
197.04880	0.3
199.59132	0.3
205.08548	0.8
205.10358	0.5
205.12236	2.6
207.06512	1.2
208.03693	0.3
208.07306	5.3
209.05339	0.4
211.71606	0.3
219.97827	0.3
223.06027	2.3
223.09647	57.6
223.13264	5.8
223.16893	1.1
225.04298	2.2
227.02261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	1.7
54.31986	0.7
55.01862	2.1
55.05512	5.5
57.07077	1.3
59.04984	2.6
65.03929	2.1
67.05511	6.6
69.03429	18.3
69.07059	3.6
69.41051	1.9
69.41453	4.3
71.04961	0.8
79.05474	4.9
81.03413	2.1
81.07058	11.0
82.07363	0.8
83.04991	7.3
83.08604	1.1
85.02897	4.3
85.06525	0.8
87.04470	28.0
91.05480	14.3
93.07040	17.1
93.07547	0.5
94.04207	1.5
95.04974	7.9
95.08601	3.8
97.02876	1.6
97.06506	2.2
101.02383	4.0
105.07022	7.7
107.04956	3.6
107.08596	7.9
109.06522	45.6
109.10166	6.5
110.07283	3.1
111.04401	1.7
111.08086	2.8
117.07016	4.2
119.06046	5.7
119.08580	9.2
121.06507	44.8
121.10140	8.3
122.07298	7.0
123.08052	2.9
123.11666	2.2
124.53078	0.8
125.06025	3.7
125.09603	1.2
129.07010	1.8
130.07806	1.0
131.08553	2.9
133.10121	3.0
135.04445	0.8
135.08054	4.5
135.11685	4.3
137.09619	100.0
139.03900	3.0
139.07536	4.0
139.11200	1.4
144.09303	1.4
145.06436	2.3
145.10104	4.5
147.08069	2.7
147.11641	1.1
149.02348	3.8
149.05978	7.3
149.09633	7.2
153.01811	1.4
159.11700	6.1
161.09605	1.8
163.07538	5.6
163.11179	11.6
165.09059	1.2
167.07021	2.5
172.08719	0.8
175.07750	0.8
175.11142	1.5
177.12776	10.8
181.12202	2.1
187.11128	4.6
190.02563	0.9
195.79883	0.8
205.12221	9.2
211.98651	1.1
223.06018	4.2
223.11427	1.2
223.13287	23.1
225.04230	1.4
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	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.21568	2.5
53.03952	2.5
55.01862	2.7
55.05500	10.7
57.03426	2.8
57.07063	6.7
58.92592	2.3
59.04995	7.1
67.05505	15.3
69.03089	4.0
69.03436	57.7
69.07075	18.0
69.11333	2.4
71.04980	12.8
71.52332	2.9
73.02914	3.2
77.85524	2.1
79.05489	16.0
81.03430	3.2
81.07056	36.1
83.04967	11.0
83.08609	10.9
85.02895	4.1
85.06538	5.3
86.81095	2.3
91.05463	13.8
93.07045	36.6
95.04981	18.7
95.08613	42.8
97.02898	100.0
97.06548	13.3
98.97572	2.9
103.05486	3.8
105.03410	6.0
105.07039	18.5
107.04952	6.0
107.08595	30.7
109.06522	13.9
109.10157	11.8
111.04430	3.8
111.08092	13.4
111.11711	4.3
114.17053	2.2
117.07080	11.6
119.08599	12.6
119.66930	2.7
121.02847	2.6
121.06500	5.8
121.10157	39.6
123.08068	25.3
125.05977	8.6
125.09623	9.1
126.66214	2.3
131.04909	5.6
131.08556	4.4
133.10135	2.5
135.07986	3.9
135.11690	20.0
137.09604	7.2
139.07558	5.3
139.11179	13.7
143.08557	2.9
145.06499	5.8
145.10136	18.7
147.08034	6.6
147.11598	3.7
149.02341	39.8
149.09660	4.5
153.12738	10.5
158.99696	3.5
159.04510	5.6
159.11690	6.5
163.11200	26.9
163.14842	2.7
165.09114	33.3
167.07076	5.2
177.05515	5.6
177.12772	5.7
181.04953	5.8
181.12241	89.0
187.03879	8.2
187.11223	3.8
190.02594	3.6
205.04967	25.4
205.10431	2.4
205.12256	12.6
223.05968	68.0
223.11206	10.2
223.13254	57.4
223.16937	6.2
225.04222	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	223.1694
Annotation	Saniculamoid D
Peak:m/z	Relative Intensity
53.03954	1.4
55.05521	7.6
56.96571	1.3
57.03424	1.2
57.07069	4.7
59.05008	1.4
67.05511	23.0
69.03423	3.2
69.07075	18.7
71.05006	9.5
78.39361	1.3
79.05494	6.5
81.03402	1.7
81.07066	21.4
83.04990	2.9
83.08624	4.8
85.06557	20.3
91.05479	5.0
93.07052	10.3
95.04965	4.0
95.08615	22.3
97.06546	18.0
98.21524	3.2
98.98495	1.4
99.04507	2.0
99.08077	1.9
102.99004	1.4
105.07018	5.8
107.08589	14.8
109.06549	10.0
109.10168	100.0
111.08108	15.7
111.11725	6.1
113.09660	6.6
117.07021	3.7
119.08587	6.8
121.06516	3.2
121.10151	13.2
123.08085	3.9
123.11724	39.0
125.09631	1.7
127.11193	9.4
127.79882	1.2
131.04906	1.3
131.08553	2.6
131.12114	1.2
133.10088	4.4
135.08075	6.2
135.11691	4.8
137.09621	3.3
139.07550	1.8
139.11203	3.5
143.08646	1.6
145.06494	2.3
145.10155	4.6
147.11703	5.9
149.02353	13.7
149.05989	1.7
149.09682	6.1
149.13271	2.1
151.11226	2.6
153.12711	1.5
159.11710	3.7
161.13239	4.5
163.11188	5.0
163.14828	9.5
165.12755	4.7
167.07059	2.0
167.10664	1.9
177.00760	2.2
177.05435	1.6
177.12822	2.2
177.16389	4.0
185.65906	1.2
187.11337	1.4
187.14886	6.3
205.10333	2.0
205.12228	2.2
205.15906	25.0
223.05998	9.6
223.11203	4.6
223.13321	11.4
223.16916	33.1
225.04265	3.5
228.99451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05278	4.1
55.05520	58.0
57.07081	36.7
67.05486	3.8
69.07073	100.0
69.66642	2.9
71.08639	16.8
71.20042	5.5
73.60905	3.1
81.07038	6.0
83.08623	60.7
84.24832	2.8
85.10179	10.3
89.06019	3.0
97.10173	50.3
111.11736	22.8
112.18447	3.3
124.04716	2.9
125.13262	7.0
149.02390	21.7
178.61967	3.4
213.89339	3.5
223.05986	3.5
223.11000	3.2
223.13243	6.4
243.11638	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38421	2.5
70.19315	2.8
70.91699	6.6
77.15512	2.6
94.93005	17.9
97.93988	2.5
151.73862	2.6
163.61470	2.4
189.90999	2.6
205.88661	2.4
205.96185	14.0
206.94601	3.4
223.97229	100.0
223.99135	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	224.0918
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
50.03217	0.7
56.05058	0.7
62.25535	0.8
69.69761	3.6
72.08168	1.3
74.06059	0.9
81.03407	0.8
84.04490	1.4
84.08131	3.2
86.09716	1.2
91.05482	12.9
93.07069	0.8
95.04970	2.0
95.47641	0.8
98.21504	1.0
98.97582	1.7
103.05483	1.1
105.03403	1.2
105.07030	2.1
107.04961	1.1
109.06573	1.1
116.98628	1.0
118.06516	1.5
119.01931	1.2
119.04951	15.8
120.08121	1.2
123.04444	14.0
123.08068	1.2
129.10258	1.4
135.04480	1.0
136.07587	100.0
143.01930	1.8
147.04428	10.2
150.02614	1.9
150.09137	1.5
158.99710	1.2
160.11198	4.8
161.02954	2.0
163.03969	4.6
165.05489	21.1
178.08653	22.3
178.12253	5.3
182.08142	20.3
206.08147	1.3
224.07158	1.1
224.09225	3.8
224.12819	3.2
224.16589	1.2
226.04311	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05507	0.7
56.96574	0.6
58.06605	3.0
59.05003	1.0
60.04523	0.6
68.05031	1.1
70.06586	0.6
71.04823	1.0
72.08169	2.6
74.06067	0.5
79.05500	3.9
80.36996	0.5
82.06583	1.3
83.28196	0.5
84.04509	1.0
84.08143	2.1
86.09685	0.7
91.05480	8.3
93.07037	1.5
95.04984	0.8
98.97568	0.7
103.05476	9.4
105.07035	33.6
107.04961	4.0
115.05460	0.7
116.98625	0.6
117.05771	1.0
117.07018	0.8
118.06548	13.9
119.04927	1.6
119.07308	1.3
120.08105	19.8
122.06059	0.8
123.04443	1.2
123.43282	0.5
128.06224	5.6
129.10254	1.0
130.06497	3.1
131.04930	3.5
131.07307	3.1
131.08522	1.2
132.08084	2.1
134.18765	0.5
136.07588	8.7
143.07571	0.7
143.08554	4.2
145.08836	0.8
147.04431	1.5
158.09650	1.3
160.11221	100.0
163.03886	0.5
165.05493	1.1
178.08722	2.1
178.12273	92.1
182.08163	1.6
182.91957	0.5
197.05940	0.5
206.08276	0.7
206.11781	14.3
211.98270	0.6
224.12814	45.3
224.16388	1.2
226.04439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83810	3.6
61.87603	3.4
64.70071	3.0
70.09415	13.1
82.99841	5.6
101.00885	62.1
105.03355	3.9
118.96318	3.7
119.01926	100.0
124.02473	11.9
137.02953	14.6
137.06842	3.4
142.03511	76.0
160.04591	11.2
161.02956	43.2
164.15997	3.6
176.41486	4.4
177.00945	11.2
179.04013	48.8
184.04626	9.5
202.05583	5.8
219.02049	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	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.01870	1.0
55.05505	1.7
57.03433	0.8
57.07066	0.8
65.03945	2.0
67.05519	2.2
68.99802	0.6
69.03423	1.6
69.07057	1.7
69.65320	2.7
71.04999	2.8
71.08621	0.6
77.03928	1.0
79.01847	0.5
79.05499	1.8
81.03427	1.2
81.07055	3.4
83.04971	1.9
83.08626	1.3
84.08167	0.8
85.02913	3.5
85.06540	1.2
89.03928	1.1
91.05490	37.8
93.03394	0.5
93.07056	2.0
95.04985	3.7
95.08630	2.7
97.02887	1.2
97.06532	1.6
98.09718	1.3
98.21492	0.9
99.04462	7.5
101.00884	0.5
101.95036	1.4
103.05471	1.6
104.02595	0.5
104.12651	0.4
105.03417	5.3
105.04520	0.5
105.07047	2.8
107.04955	1.4
107.08620	3.2
108.05757	0.8
109.06517	2.4
109.10160	2.0
111.04403	0.7
117.07014	0.8
118.04176	4.4
119.04955	46.0
119.08590	2.9
119.96092	0.5
121.02863	1.2
121.06498	1.3
121.10144	3.9
123.04392	1.1
123.08087	3.8
123.11741	2.8
125.05973	2.1
125.09673	1.2
127.04002	0.5
127.07575	0.6
129.03418	0.8
129.04597	0.5
131.04921	1.1
132.02074	2.6
133.02856	1.3
133.06509	0.7
133.10141	1.0
135.04425	1.2
136.05219	1.5
137.05965	0.8
137.09631	1.7
143.08556	0.6
145.02840	0.5
145.10150	0.6
146.03648	0.8
147.04425	34.1
147.08086	0.7
147.11703	1.7
148.05135	0.6
149.02351	5.7
149.06023	0.7
149.09621	3.2
151.03934	0.9
151.07532	1.9
151.11189	0.7
151.12363	0.5
153.05473	1.2
157.03992	4.2
161.09653	1.1
161.13261	1.1
163.03905	1.2
163.11223	3.8
164.04703	4.7
164.08411	0.5
165.05537	1.1
165.06882	0.6
165.09143	1.3
165.12755	1.5
167.10695	2.9
171.11743	0.9
174.03191	0.8
175.03925	63.5
177.01875	1.6
179.07053	3.5
179.14334	1.6
180.07811	0.6
181.08586	4.0
181.12251	1.1
183.06483	1.1
183.13814	1.4
184.12283	0.5
189.09113	0.5
189.12791	1.7
192.04198	21.0
193.04919	1.0
195.10208	1.8
207.06549	100.0
207.13797	6.1
225.07466	1.4
225.09151	1.8
225.11121	1.1
225.14754	4.6
225.19653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1124
Annotation	Myxostiol
Peak:m/z	Relative Intensity
53.03941	0.3
55.01859	0.2
55.05506	0.4
55.31610	0.1
57.03437	0.3
57.07073	0.2
61.95959	0.1
65.03948	0.3
67.05498	0.6
69.03405	0.3
69.07071	0.7
70.34755	0.4
71.04991	0.5
75.87904	0.1
78.04702	0.3
79.05505	1.2
81.03411	0.3
81.07062	1.5
83.04966	0.4
85.02917	1.3
85.06561	0.2
89.03915	0.2
90.04704	0.2
91.05489	2.0
92.06277	0.2
93.03391	0.1
93.07054	1.0
95.04990	1.1
95.08605	1.0
96.08117	0.3
96.37648	0.1
97.02923	0.4
97.06535	0.3
98.97568	0.2
99.04471	0.6
101.95000	0.1
103.05459	0.1
105.03400	0.7
105.07043	1.2
106.04193	0.4
106.58316	0.1
107.04963	1.1
107.08604	1.3
108.05748	0.4
109.06539	1.4
109.10160	0.8
111.04449	0.3
111.08082	0.3
115.35388	0.1
117.06934	0.1
119.04963	0.6
119.08573	1.0
120.05732	0.4
121.06523	1.1
121.10169	1.0
122.07265	0.3
123.04422	1.5
123.08076	3.0
123.11726	1.3
125.05974	0.4
125.09615	0.2
127.07534	0.2
130.04965	0.2
131.08607	0.2
133.02873	0.3
133.06496	0.5
133.10138	0.7
134.03644	0.1
134.09657	0.2
135.04399	0.7
135.08064	0.6
135.11697	0.3
136.05186	1.0
136.67027	0.1
137.05986	4.4
137.09624	0.7
138.06779	2.2
139.07591	0.8
145.10147	0.4
147.08047	0.2
147.11710	1.0
148.05202	14.2
149.06006	1.5
149.09613	0.6
150.06732	0.4
151.03940	1.1
151.07581	0.8
151.11185	0.3
154.06348	0.2
158.99689	0.2
161.06012	0.6
161.09596	0.5
161.13257	0.4
162.09123	0.3
163.07526	0.8
163.11174	0.9
164.08347	1.9
165.05519	1.1
165.09146	0.7
165.12775	1.3
166.06267	2.0
167.07095	0.2
167.10689	0.3
171.11708	0.2
175.04024	0.2
176.08321	1.3
177.05502	0.2
179.07010	0.3
179.10643	0.2
179.14275	0.6
180.07831	1.8
181.08603	100.0
182.08937	0.6
189.09135	0.3
189.12729	0.8
192.07838	0.2
195.10176	7.3
207.06523	0.6
207.10205	3.8
207.13806	8.2
208.09740	0.6
208.67931	0.1
225.07370	0.3
225.09106	0.3
225.11119	2.5
225.14664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.55734	2.6
55.01867	3.4
55.05502	13.4
57.03430	3.2
57.07072	7.1
59.05006	4.5
59.29098	3.2
65.03938	3.3
67.05241	2.4
67.05511	29.7
69.03409	8.5
69.07069	16.9
70.96613	4.8
70.96940	3.6
71.04992	23.0
79.05488	17.2
79.11507	3.2
81.03410	5.3
81.06588	4.9
81.07060	87.6
83.04994	15.0
83.08595	7.0
85.02898	8.9
85.06532	12.1
89.46522	2.9
91.05487	26.1
93.07054	32.7
95.04981	19.5
95.08610	83.9
96.41824	2.8
97.02882	7.2
97.06516	15.5
97.83368	2.9
99.04464	25.4
101.05998	3.6
101.95032	5.2
105.03384	14.4
105.07030	100.0
107.08600	40.6
109.02889	5.6
109.06544	22.2
109.10155	24.2
111.04426	5.0
111.08092	5.5
113.06011	32.7
113.09605	3.4
115.05432	3.9
115.07564	7.0
119.04967	24.1
119.08588	61.5
121.06540	4.3
121.10143	60.3
123.08098	26.8
123.11691	13.3
125.06018	4.5
125.09654	3.8
127.07567	3.6
128.06252	3.6
129.06917	4.4
131.08588	20.7
133.06487	12.4
133.10117	25.9
135.08012	3.1
135.11665	14.3
136.97513	3.0
137.05984	4.5
137.09613	16.9
137.13255	16.1
139.07510	4.1
139.11201	4.6
141.06996	5.3
143.08554	9.6
145.10196	15.2
147.04376	3.5
147.08037	15.7
147.11696	25.4
149.09636	77.2
151.07556	20.4
151.11224	3.4
154.12277	7.0
156.09344	28.6
159.11731	4.6
161.09593	13.9
161.11989	6.5
161.13264	83.9
163.11165	8.8
165.12756	7.0
167.10698	8.4
169.08656	15.4
171.11703	55.0
174.10423	5.3
175.03883	7.1
179.10646	3.9
179.14326	21.1
181.08734	3.6
182.11749	10.2
183.13837	4.8
189.12759	64.5
204.07210	5.7
207.06500	6.9
207.13803	62.5
225.09041	8.2
225.14792	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.69363	0.8
55.01863	1.4
55.05516	3.6
55.05729	0.6
57.07085	0.9
62.57561	0.7
67.05503	2.3
69.03416	1.9
69.07058	1.8
69.30122	6.1
71.05001	36.1
72.66003	0.7
79.05495	3.0
81.03403	1.4
81.07075	6.8
83.04991	2.6
83.08641	7.2
85.02901	2.3
85.06557	1.8
87.04515	0.8
91.05495	4.5
93.07061	2.9
95.04995	2.0
95.08635	5.2
97.06538	1.8
97.10152	1.1
99.04466	100.0
105.03423	2.5
105.07055	5.7
107.07877	1.6
107.08607	31.1
109.06525	18.2
109.10184	2.5
111.08094	2.4
113.09676	4.9
119.08626	3.8
121.10164	10.6
123.08088	15.5
123.11711	15.2
125.09650	7.8
127.07553	0.8
131.08565	2.2
133.10138	1.9
137.06076	0.7
137.09647	2.3
139.07564	0.9
139.11192	2.5
141.12775	1.8
145.10144	1.5
147.07964	1.1
147.11716	7.3
149.09657	10.1
151.07611	0.8
161.09669	1.4
161.13246	1.9
163.11224	0.9
165.12759	11.1
167.10693	26.9
167.12123	1.3
171.11653	0.9
183.13828	29.8
189.12759	4.3
200.27679	0.7
207.10292	1.0
207.13841	6.1
225.09210	1.2
225.14873	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.88771	0.7
53.03934	0.7
55.05502	1.2
57.07067	2.1
64.73128	0.8
67.05515	4.2
69.03429	1.2
69.07082	1.7
70.25134	2.9
71.04989	1.4
79.05498	1.3
81.07059	19.2
82.95160	0.7
83.04964	1.8
85.02908	100.0
85.06545	1.1
91.05485	11.0
93.07050	3.0
93.61791	0.7
95.04956	1.3
95.08600	4.5
97.06518	1.0
99.04465	1.2
101.94983	0.8
103.23548	0.8
105.03400	2.2
105.07007	4.2
107.08584	4.4
109.06522	1.9
109.09461	1.3
109.10164	11.4
111.04458	1.0
118.04175	1.0
119.04937	9.2
119.08582	4.5
121.06528	1.0
121.10155	9.7
123.04393	0.9
123.08084	3.4
123.11710	75.9
125.06021	5.5
125.09597	1.4
131.08582	2.0
135.11707	0.7
137.05994	1.2
137.09627	1.3
145.10117	1.5
147.04413	6.2
147.08072	1.5
147.11674	4.3
147.31303	0.7
149.02386	1.8
149.09612	8.3
151.07529	3.9
161.13295	2.4
163.11194	2.0
164.04674	1.2
165.12814	1.9
171.11710	1.4
175.03908	14.6
179.14377	2.6
181.08684	0.9
189.12743	5.2
192.04224	3.2
207.06525	18.7
207.08389	1.0
207.13802	26.7
225.14830	6.9
226.41553	0.8
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	Apiosporic acid
Peak:m/z	Relative Intensity
55.05499	6.9
57.07062	2.9
59.04995	3.8
64.64534	1.7
67.05505	22.3
69.03429	2.7
69.07058	3.8
70.90089	1.7
71.05000	6.9
79.05470	3.8
81.07052	8.1
83.04983	4.8
83.08626	4.5
85.02898	6.2
85.06547	10.2
91.05466	8.4
93.07045	8.2
95.04966	4.1
95.08615	100.0
97.02885	4.1
97.06519	2.9
99.04453	7.8
99.97108	1.6
101.95049	3.9
105.03380	5.2
105.07034	8.6
107.04923	3.1
107.08591	14.4
109.06516	7.2
109.10146	4.1
111.08091	2.5
113.05991	9.9
119.04931	2.6
119.08591	16.0
121.06480	1.9
121.10133	8.3
123.08074	41.4
123.11700	7.6
125.05970	2.4
125.09581	2.8
127.07305	3.7
131.08600	3.2
133.10207	3.5
135.08047	2.7
135.11705	14.1
137.06006	2.7
137.09647	2.9
139.07437	2.0
140.10704	2.8
141.09102	6.3
147.04465	2.7
147.08035	3.6
147.11719	9.7
149.09642	23.2
151.07547	10.5
151.14774	3.1
161.13263	7.2
163.11206	5.4
165.09068	5.5
165.12782	8.2
167.07059	1.9
168.10126	3.5
175.03889	2.8
177.12752	1.7
179.14281	3.5
181.08598	2.6
189.12726	10.2
193.08556	2.6
207.06516	6.6
207.13834	17.7
225.11183	6.6
225.14926	6.3
225.19531	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Annuionone A
Peak:m/z	Relative Intensity
51.22974	1.1
51.54810	1.0
54.65854	1.0
55.05506	6.0
57.07067	3.7
59.04993	2.1
67.05498	3.1
69.03441	1.5
69.07063	4.4
69.34992	2.3
69.35394	7.3
71.01369	1.1
71.04602	2.1
71.04994	34.3
74.75639	1.1
77.82417	1.0
79.05499	4.9
80.56772	1.2
81.03413	1.7
81.07061	9.0
82.46067	1.1
83.04984	4.9
83.08627	9.0
85.02903	2.7
85.06551	2.7
91.05484	4.6
93.07043	3.1
95.04950	1.9
95.08624	12.3
97.06525	12.8
98.21521	2.1
98.97549	1.3
99.04457	100.0
99.08081	2.0
105.03407	2.8
105.07045	8.6
107.08600	36.7
109.06519	23.9
109.10160	2.1
111.08083	2.1
111.11675	1.4
113.09649	3.6
119.08598	4.7
121.06517	2.2
121.10153	18.8
123.08086	20.7
123.11710	18.9
125.09649	8.7
127.07544	2.0
131.08578	2.2
133.10152	3.2
137.05942	1.7
137.09619	3.3
137.13277	2.7
139.11198	4.5
141.09100	1.4
141.12744	2.9
145.10149	1.2
147.11678	7.6
149.08557	1.5
149.09641	14.2
151.07571	2.0
155.10718	1.2
160.98796	1.1
161.09575	2.3
161.13287	2.7
165.09181	3.0
165.12747	18.4
167.10689	32.7
179.14305	4.0
179.59564	1.2
183.13811	50.3
189.12730	6.3
201.51984	1.1
207.13847	12.9
210.92731	1.1
214.08681	1.3
215.67055	1.1
215.73732	1.3
225.09023	1.5
225.14867	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.24199	1.4
55.01875	1.7
55.05504	6.1
57.03426	1.8
57.07078	2.7
59.05001	2.2
65.89284	1.4
67.05500	9.2
69.03435	3.1
69.07064	6.8
70.85601	3.4
71.05001	17.0
79.05511	7.9
79.29458	1.6
81.03450	1.4
81.07079	10.3
83.04987	3.2
83.08610	3.7
85.02908	5.0
91.05494	13.1
93.07053	21.0
95.04978	4.5
95.08618	11.8
97.06549	7.1
98.97601	11.9
99.04472	10.7
101.95059	4.8
105.03414	7.1
105.07038	31.5
107.08597	15.4
109.06541	11.3
109.10166	23.2
111.04450	2.2
111.08076	3.2
116.98649	2.5
119.04958	5.0
119.08584	32.4
121.06546	2.5
121.10153	100.0
123.08082	21.4
123.11703	5.6
125.06003	3.9
125.09617	3.7
129.07089	1.7
131.08563	8.5
133.06509	2.6
133.10146	14.3
135.08078	2.5
135.11703	6.5
137.09624	27.4
138.09787	1.5
143.08586	3.9
145.10146	5.9
147.04402	2.1
147.08066	7.1
147.11708	21.6
149.09630	97.8
151.07562	7.8
151.11188	2.2
156.09349	4.6
158.99677	5.1
159.08066	3.1
161.09648	4.7
161.11977	3.2
161.13264	43.9
163.11230	11.7
165.12752	13.0
167.10762	1.7
167.49329	1.5
171.11713	10.9
173.13310	2.8
174.10442	5.4
175.03894	4.1
177.00735	3.9
179.14352	9.5
181.12216	2.9
183.13768	2.5
189.12755	53.2
191.14311	1.8
192.04196	1.9
205.08012	1.9
207.04791	2.1
207.06546	6.4
207.13809	35.4
207.15738	2.5
225.09195	3.1
225.12857	3.1
225.14738	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.60529	1.2
55.05510	6.7
57.07075	3.8
59.04994	1.9
62.16866	1.0
67.05502	4.5
69.03432	4.1
69.07063	4.3
70.66402	2.6
70.66773	2.7
71.01363	1.2
71.04997	38.5
79.05499	7.4
81.03401	2.7
81.07061	9.6
83.04977	5.9
83.08642	7.8
85.02915	8.9
91.05486	4.6
93.07039	6.3
95.04969	3.3
95.08626	11.5
97.02919	2.6
97.06537	7.1
97.10153	1.5
99.04461	100.0
105.03417	1.5
105.07030	9.8
107.04983	1.2
107.08604	38.8
109.06526	24.4
109.10149	4.8
111.08060	3.8
113.09645	4.6
119.08588	8.1
121.06491	1.2
121.10144	18.3
123.04501	2.2
123.08065	22.8
123.11709	22.1
125.06014	1.4
125.09645	8.7
127.07564	1.7
129.07019	1.4
131.08578	2.8
133.06564	2.1
133.10132	5.0
137.09639	5.7
137.13264	3.0
139.11180	2.7
141.12677	2.1
145.10129	1.6
147.11722	10.9
149.09633	18.0
151.07547	2.9
161.13260	3.3
163.11162	2.3
165.12778	12.5
167.10672	29.0
171.11774	2.2
179.03426	3.8
179.14331	4.9
181.08629	2.4
181.12094	1.3
183.13823	33.7
189.12704	9.7
197.04485	2.9
207.06566	6.3
207.13837	16.6
225.07516	14.1
225.09163	1.3
225.12743	1.5
225.14832	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03947	1.6
55.01883	1.2
55.05521	1.4
57.03438	1.6
57.07085	1.9
65.03956	1.1
67.05516	5.3
69.03427	2.8
69.07070	3.1
70.13609	4.4
71.01363	4.8
71.04999	11.5
79.05512	6.9
81.03432	1.5
81.07068	10.5
83.04979	4.0
85.02441	1.2
85.02917	14.3
85.06545	2.3
91.05482	7.0
93.07053	16.0
95.04989	2.8
95.08613	9.9
97.06544	4.1
98.21483	1.4
99.04492	4.9
101.06039	1.3
105.03386	2.9
105.07046	17.1
107.08609	16.1
109.06532	5.3
109.10163	10.2
111.08107	3.5
119.04978	1.9
119.08587	13.8
121.06543	1.7
121.10153	33.7
121.11047	1.6
123.04446	1.7
123.08114	6.9
123.11721	9.6
125.06015	5.0
131.08594	2.6
133.06499	1.1
133.10112	6.0
135.08066	1.4
135.11710	6.6
137.05969	1.8
137.09634	18.6
137.13277	6.4
139.11191	1.3
143.08617	1.8
145.10173	5.2
147.08087	3.8
147.11696	13.1
148.05241	2.5
149.09634	100.0
151.07561	6.1
153.12834	1.9
156.09346	2.6
159.08112	1.1
161.09633	2.8
161.13263	10.1
163.11203	9.5
165.12715	6.1
167.10696	2.6
171.11725	5.1
174.10452	3.5
175.04012	1.3
179.14366	2.6
181.08632	19.0
181.12221	3.0
189.12769	26.8
197.16690	1.0
207.06564	3.8
207.10269	1.3
207.13824	21.0
225.07520	1.9
225.14879	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01867	3.2
55.05517	12.0
56.81940	2.1
57.07075	3.5
59.04984	4.1
67.05502	11.2
69.03431	16.4
69.07079	10.2
70.67035	5.2
70.67372	2.1
71.01350	7.4
71.04993	39.7
74.95620	1.9
79.05502	11.4
81.03426	2.7
81.07061	27.5
83.04973	8.0
83.08629	9.3
85.02912	35.2
85.06535	4.2
91.05473	11.5
93.07048	17.0
95.04959	8.4
95.08608	22.6
97.06507	11.8
99.04459	100.0
99.05113	5.1
99.08096	2.6
105.03394	6.0
105.07037	25.2
107.08602	57.7
109.06521	32.8
109.10142	15.7
111.08086	5.8
113.06007	2.4
113.09621	5.1
117.06962	2.1
119.05006	2.9
119.08594	19.5
121.06512	3.7
121.10148	35.2
123.04430	7.7
123.08076	34.8
123.11700	38.6
125.06017	3.7
125.09628	8.3
131.08574	4.9
133.06502	6.2
133.10143	29.7
135.08002	3.1
135.11684	7.5
137.05983	4.3
137.09615	21.1
137.13255	12.4
139.11171	5.7
145.10144	6.8
147.04419	3.0
147.08093	3.5
147.11679	22.6
149.09624	69.9
151.07533	10.7
153.09128	2.1
153.12753	2.4
156.09386	5.2
161.09610	2.8
161.13239	13.9
163.11148	4.3
165.09187	3.4
165.12752	20.5
167.10686	27.7
171.11678	7.8
174.10341	5.0
179.03485	3.3
179.14297	6.4
179.76552	2.2
181.08601	4.8
181.12215	3.4
183.13820	29.2
189.12749	31.7
197.04428	3.8
207.06557	7.4
207.10138	2.4
207.13806	45.4
208.50734	2.3
225.07533	14.8
225.14824	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03941	0.8
55.01862	1.4
55.05516	1.9
57.03432	0.7
57.07069	1.3
58.67131	0.4
59.05008	0.5
67.05510	3.6
69.03440	2.7
69.07075	4.1
69.46163	2.4
71.04996	7.9
77.03905	0.6
79.05501	3.9
81.03411	1.2
81.06659	0.5
81.07068	5.8
83.04977	2.6
83.08613	1.8
85.02903	3.3
85.06531	1.4
86.09724	0.4
89.00108	0.4
90.04733	0.5
91.05492	6.0
93.07044	6.8
95.04968	3.9
95.08607	4.9
97.02904	3.7
97.06544	2.1
98.97590	0.6
99.04461	13.2
101.95016	1.6
103.05423	0.6
105.03396	4.0
105.07036	7.3
107.04954	1.6
107.08599	8.1
108.05733	1.0
109.06529	5.6
109.10159	7.7
111.04465	0.6
111.08101	1.9
116.98607	0.4
119.04947	1.7
119.08592	7.7
120.05691	0.6
121.06495	2.5
121.10148	13.8
122.07297	0.6
123.04429	1.6
123.08073	8.0
123.11685	3.6
125.05966	1.1
125.09618	1.5
127.07568	0.7
127.11140	0.6
131.08574	1.6
133.06468	0.5
133.10130	3.8
135.04463	0.6
135.08060	1.3
135.11662	1.0
136.05205	0.9
137.05971	6.5
137.09627	7.6
137.13232	0.7
138.06746	1.6
139.07591	2.2
139.11183	0.6
143.08530	0.9
145.10136	1.6
147.04402	1.5
147.08049	2.0
147.11700	6.7
148.05193	13.6
149.05983	4.1
149.09625	24.2
151.03900	1.3
151.07558	2.2
151.11188	1.0
156.09358	0.9
159.07954	0.4
159.11745	0.8
160.98688	0.7
161.09648	1.9
161.13269	3.9
163.07581	1.1
163.11191	2.2
164.08345	1.8
165.05484	0.9
165.09111	1.5
165.12749	4.4
166.06244	1.4
167.10663	2.9
171.11685	2.5
174.10461	0.7
175.03897	1.5
176.08269	1.0
177.12776	0.8
179.08630	0.5
179.10576	0.8
179.14290	3.0
180.07806	1.5
181.08601	100.0
183.08096	3.2
183.13795	0.8
184.00496	0.5
189.09145	0.9
189.12733	7.8
195.10161	8.2
197.04515	0.5
207.06595	1.9
207.10094	4.7
207.13809	25.3
225.07652	0.4
225.09102	4.1
225.11234	5.5
225.14796	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	227.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17868	0.3
57.57435	0.3
67.01868	79.3
69.79398	1.4
99.04460	0.4
107.08640	0.3
125.02362	1.2
139.03912	0.5
147.01161	0.3
153.01845	0.7
195.02904	2.7
213.03944	100.0
214.04297	0.8
222.18147	0.3
227.05521	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.02398	2.2
55.01867	7.8
55.05510	20.8
55.44667	1.8
56.96550	5.9
57.03427	6.7
57.07071	5.1
59.04987	3.0
62.20617	2.0
67.01833	2.7
67.05188	2.2
67.05508	30.1
69.03416	7.3
69.07069	17.4
69.90637	9.8
70.06594	2.6
71.04993	24.0
71.38562	1.8
72.93781	12.4
73.02914	5.0
76.71039	2.0
79.05078	2.3
79.05496	30.3
81.03383	2.5
81.07059	27.7
81.14664	1.9
82.06556	2.1
83.04984	9.9
83.08614	14.9
84.04501	3.4
85.02888	5.5
85.06544	83.4
86.09237	2.2
86.09716	24.6
90.94834	2.5
91.05492	20.6
93.07043	31.2
95.04973	100.0
95.08618	14.1
97.06528	24.4
97.10159	3.9
98.97563	4.2
99.04444	20.5
99.08089	15.2
100.11259	52.9
105.06400	2.5
105.07034	22.9
107.04942	12.8
107.08602	37.3
109.02877	2.2
109.06534	20.3
109.10154	10.6
110.07142	4.7
111.04443	14.5
111.08086	5.4
113.06022	2.1
113.96407	17.0
115.07537	9.1
117.06993	7.9
119.08578	16.6
121.02875	1.9
121.06525	18.0
121.08459	2.3
121.10137	27.7
123.04421	7.8
123.08060	5.5
123.11684	4.9
125.05981	8.5
125.09615	13.3
127.07549	2.6
129.06958	4.0
130.03017	1.9
130.04990	3.0
131.08572	47.9
131.97453	12.4
133.10141	17.1
135.04422	2.9
135.08069	7.7
135.11678	9.8
137.05965	5.3
137.09590	8.5
139.03920	8.6
139.07523	3.6
139.11136	5.2
140.04668	7.0
140.07846	2.3
142.01810	1.9
145.02838	2.4
145.06500	2.5
145.10123	26.2
146.99664	2.0
147.08037	3.3
147.11694	5.5
149.05936	4.2
149.09619	47.8
149.13272	4.6
151.03839	6.2
151.11188	6.2
153.05443	2.3
153.07104	3.2
153.09117	28.9
155.07016	11.9
155.08430	2.4
157.06371	2.4
163.04004	3.1
163.07545	2.4
163.11188	22.6
163.14827	4.5
165.09145	7.3
165.12775	2.2
167.07056	17.7
167.10678	26.1
171.10083	4.0
173.09602	8.7
173.13283	8.2
174.02574	3.6
177.05478	6.1
179.00235	2.5
181.04980	20.9
181.12071	3.0
183.03041	6.1
191.10669	60.6
191.14296	12.4
197.01237	4.5
209.04448	11.1
209.08031	7.4
209.11713	51.1
209.15350	16.6
210.08484	5.7
210.11195	2.2
213.03929	4.5
227.05304	4.0
227.07034	6.1
227.08868	5.0
227.10744	4.2
227.12675	20.0
227.16388	6.9
227.17551	13.3
227.19991	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	227.128
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03935	2.3
55.01873	5.1
55.05273	1.0
55.05515	13.6
57.03428	2.1
57.07055	1.7
59.15251	0.8
65.03926	1.6
67.01859	2.7
67.05181	1.0
67.05508	14.9
69.03429	1.8
69.06795	0.7
69.07075	8.5
70.62608	0.8
70.62943	1.5
71.04980	2.9
72.93764	1.1
73.02911	1.5
79.05499	24.1
81.03410	2.3
81.06593	1.2
81.07064	20.4
83.04978	3.8
83.08630	10.8
85.06528	1.5
91.05495	7.5
93.03394	0.9
93.07050	34.9
95.04986	6.5
95.08614	41.5
97.02883	4.7
97.06521	4.4
97.10153	0.8
98.21441	0.8
99.04445	4.2
100.11275	4.6
105.07042	7.0
107.04964	10.0
107.08604	25.6
109.06512	1.3
109.10159	2.5
111.04469	1.4
111.08092	1.3
113.05959	0.9
113.96373	1.2
114.79173	0.9
117.07037	9.4
119.08593	7.4
121.06526	6.9
121.10155	14.2
123.08098	0.8
125.05991	2.5
125.09633	1.0
130.07762	2.2
131.04884	0.8
131.08525	0.8
133.10127	2.4
135.08037	2.9
135.11703	48.6
139.07565	1.8
139.11194	0.9
145.10138	22.5
153.05489	0.9
153.12733	2.1
155.08653	1.0
163.11192	63.8
167.06995	5.7
173.09570	1.5
177.05492	0.9
181.12245	15.6
209.11783	2.4
209.15338	1.2
213.03949	2.7
227.12794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01866	4.4
55.05517	14.5
56.96549	4.4
57.03448	7.8
57.07058	7.3
59.04982	4.0
60.59930	1.6
65.03902	1.9
67.01884	2.7
67.05511	9.5
68.99773	2.0
69.03407	7.1
69.07071	23.7
69.42135	13.0
70.06597	12.6
71.04997	21.6
72.08154	1.5
72.93803	11.4
73.02904	3.3
73.06545	1.8
79.05503	11.3
81.03381	2.7
81.06673	1.9
81.07066	22.4
83.04988	8.8
83.08624	13.8
84.04490	1.8
84.08127	3.2
85.02880	2.2
85.06556	10.5
86.09716	17.8
90.94813	1.7
91.05482	10.8
93.07047	24.3
95.04972	100.0
95.08623	15.2
96.05318	1.9
97.02848	2.1
97.05919	2.2
97.06528	27.0
97.10150	6.6
99.04460	16.2
99.08096	25.3
100.07627	1.6
100.11267	10.4
101.06064	1.7
105.07043	11.6
107.04933	2.7
107.08611	22.0
109.06524	24.9
109.10167	13.0
110.07159	3.0
111.04433	2.5
111.08053	6.4
113.05994	3.1
113.18372	1.7
113.96415	21.6
115.07528	7.1
117.07041	2.4
119.08559	6.4
121.06486	5.6
121.09369	1.6
121.10154	28.6
123.04469	10.4
123.08038	3.2
123.11694	7.4
125.06037	1.9
125.07090	6.9
125.09659	12.7
125.13297	1.9
127.07563	10.9
131.08609	7.5
131.97476	11.7
133.10139	26.0
135.08023	6.8
135.11707	8.2
137.05957	4.2
137.09584	3.8
139.03894	9.9
139.07498	2.1
139.11186	10.5
140.04637	2.8
143.08563	1.8
143.10635	6.5
145.10086	4.0
147.11646	5.2
149.05917	4.2
149.09601	5.8
149.13277	10.0
150.03120	2.1
151.03947	8.7
151.11165	5.5
153.05583	1.8
153.06961	3.4
153.09125	26.4
153.12698	2.0
155.06992	7.4
158.10864	2.1
161.02922	2.1
163.03860	2.6
163.11172	5.4
163.14827	4.4
165.01924	1.6
165.05452	1.9
167.07060	8.4
167.10648	2.2
168.06517	1.9
171.10181	15.1
173.13283	12.1
174.02477	5.3
177.05528	2.3
179.00101	3.9
181.01550	2.0
181.04906	7.1
181.06461	4.5
181.08574	3.3
181.13396	2.3
183.03067	12.4
183.53191	3.7
191.10675	4.0
191.14319	15.1
192.03571	6.7
195.06490	2.4
197.01227	10.4
199.07428	3.1
209.01212	2.9
209.06038	1.8
209.08026	4.6
209.13086	3.3
209.15312	27.3
213.03854	4.5
227.02254	3.5
227.07137	8.0
227.14334	4.3
227.16380	57.3
227.19751	3.2
228.08679	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03932	0.7
55.01865	2.2
55.05275	0.7
55.05514	7.6
55.82490	0.7
57.03434	5.7
57.07067	2.2
58.05424	0.7
59.04990	2.5
65.03932	0.8
67.01865	12.4
67.05502	6.8
69.03424	2.4
69.07068	6.4
69.97794	3.1
71.04996	10.1
72.93819	0.7
73.06577	0.8
75.04472	3.2
79.05493	4.8
81.07060	9.1
82.06590	1.0
83.04971	3.0
83.08599	3.4
85.02901	0.9
85.06554	5.5
86.09708	3.5
87.04459	0.7
91.05506	3.9
91.58102	1.2
93.07042	11.0
95.04968	100.0
95.08607	8.0
97.02933	1.0
97.06535	17.9
97.10179	1.8
98.20840	1.2
98.97585	0.7
99.04456	23.3
99.08096	8.7
100.09431	1.0
100.11256	13.5
103.05492	0.9
105.07014	6.6
107.08604	14.9
109.06520	12.1
109.10154	7.6
110.06073	1.0
111.04452	1.7
111.08121	3.4
113.06030	1.8
113.96381	1.4
115.07540	4.1
117.07037	1.2
119.08598	6.1
121.06557	1.8
121.10150	9.6
122.69869	0.7
123.08079	3.1
123.11701	3.0
125.05933	0.8
125.09648	3.0
127.07542	3.5
131.08569	3.2
131.97421	0.9
133.10138	15.4
135.08063	3.4
135.11690	4.4
137.09645	1.4
139.07503	1.1
139.11208	5.8
141.11504	2.1
143.01923	1.1
145.10146	3.0
147.11684	4.7
149.09668	1.6
149.13274	3.0
150.59038	0.8
151.07596	1.0
151.11185	2.8
153.09103	32.5
153.12709	1.7
154.12413	0.7
158.10995	0.7
163.03946	1.1
163.07564	1.0
163.11194	6.2
163.14821	2.1
163.64388	1.9
167.07048	5.8
167.10725	1.5
167.14348	0.9
169.08525	3.4
171.10153	6.0
173.13280	8.7
177.05521	1.3
181.05002	1.9
181.08595	1.9
181.12270	3.2
182.15408	1.6
183.14044	0.8
191.10663	3.5
191.14313	10.9
194.09344	0.9
199.18115	1.3
206.09834	0.8
209.04463	3.9
209.11746	6.0
209.15297	20.0
213.03943	19.1
213.17856	3.5
227.05496	2.5
227.12965	3.4
227.16298	21.3
231.53676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97656	16.5
66.08302	15.8
69.03430	18.4
70.06602	32.6
71.04026	17.1
71.04351	25.9
80.05040	20.7
84.04513	16.9
95.79396	14.5
110.06058	30.8
111.04450	16.1
111.69344	14.9
150.50755	15.2
154.04970	41.9
182.09348	26.4
192.77574	14.2
202.77625	13.7
228.08450	100.0
228.23314	37.7
229.15489	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	Resveratrol
Peak:m/z	Relative Intensity
53.03949	0.9
54.80342	0.8
55.01872	6.7
55.05502	2.5
57.03427	2.3
62.24638	0.6
63.02380	0.9
65.03942	1.7
67.05499	3.3
69.03420	1.5
69.07057	1.6
70.06604	3.7
71.04997	3.0
72.08160	0.6
72.33002	0.6
77.03893	0.6
79.05482	5.3
81.03426	8.5
81.07066	8.6
83.04981	1.9
84.04483	0.6
84.08145	1.1
85.02880	1.3
86.09705	1.9
89.03918	2.1
91.05484	60.4
93.03381	0.8
93.07042	2.1
95.04964	6.6
95.08618	2.9
97.06540	0.9
98.21500	1.6
99.00802	0.6
99.08117	1.1
103.05481	0.9
105.03398	0.7
105.07040	1.4
107.04961	38.1
107.08591	0.7
109.02885	23.7
109.06510	1.1
109.10165	1.0
109.28081	0.6
111.04449	1.4
111.08092	1.7
115.05460	2.9
116.07098	0.9
117.03381	2.1
118.04150	2.5
119.04947	100.0
119.08589	1.2
120.05735	13.9
121.02872	2.4
121.06518	10.6
123.04438	9.1
123.08068	5.9
123.71262	0.6
125.06010	1.1
125.09578	0.7
127.03907	1.8
127.07547	2.8
129.06993	2.4
131.08577	1.1
133.02885	0.7
133.06474	0.6
133.10126	2.1
135.04422	46.1
136.05217	3.0
137.09601	0.8
139.64830	0.6
141.06999	8.0
145.03992	1.8
145.06488	1.3
147.11726	1.6
151.07561	0.7
152.06145	1.0
153.07004	17.2
154.07719	2.5
155.06006	0.9
155.08571	19.7
157.06444	1.2
165.07010	75.7
165.12752	0.9
166.07571	0.8
167.07028	2.8
167.32089	0.7
168.05685	2.9
169.06514	0.9
175.11131	0.9
181.06497	4.1
182.07333	3.2
183.08063	61.0
193.06433	5.9
193.08003	4.6
196.05135	0.7
197.06071	0.9
201.05659	0.7
201.09088	1.7
201.12354	0.7
211.07568	41.1
211.09604	2.9
211.13094	1.3
229.08606	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0862
Annotation	Resveratrol
Peak:m/z	Relative Intensity
51.70283	0.9
53.03947	1.7
55.01876	5.5
55.05506	1.8
56.09525	0.9
65.03931	2.4
67.05495	3.9
69.03416	1.6
69.07101	1.5
70.06596	7.0
71.04996	1.7
71.51974	1.4
71.52380	1.1
72.08141	2.8
72.44952	0.9
79.05492	3.5
81.03426	10.5
81.07050	4.3
83.04971	0.9
83.08614	1.7
84.04505	3.5
84.08136	2.6
85.02901	1.2
86.09714	7.6
89.03913	3.4
91.05494	57.6
93.07038	2.8
93.82277	0.8
95.04977	4.7
95.08590	2.0
97.02876	1.5
97.06562	1.2
99.00835	0.9
99.04501	0.9
100.11259	1.5
103.05455	0.9
105.03428	1.1
105.04518	1.1
105.07012	2.3
107.04964	37.2
109.02895	24.2
109.06498	1.5
109.10167	2.3
111.04440	1.0
115.05457	2.9
116.07092	2.2
117.03384	1.8
118.04140	1.6
119.04955	100.0
120.05746	12.9
121.02865	1.8
121.06523	11.9
123.04439	7.1
125.05994	1.1
127.03914	2.9
128.06198	1.0
129.05475	1.1
129.07010	1.7
129.10246	3.3
129.14348	0.8
133.02820	1.0
133.06442	1.1
133.10143	2.2
135.04427	42.0
136.05162	3.1
137.09642	1.5
139.07564	1.1
141.07005	8.0
145.03967	1.8
145.06505	1.3
147.11674	1.6
153.07007	18.4
154.07761	2.2
155.08572	21.0
155.09741	1.8
156.95126	0.9
157.10086	1.9
165.07022	65.7
166.07661	1.2
167.07062	4.2
168.05661	2.5
169.06480	1.3
173.06140	1.1
181.06500	2.2
182.07300	2.5
183.08069	59.6
183.15802	1.6
190.32985	0.8
193.06465	4.7
193.07747	3.7
201.09172	2.0
201.12471	2.2
205.98819	2.0
211.07568	41.2
211.20650	1.0
229.08618	71.0
229.12254	2.0
229.15768	4.2
229.23540	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01857	1.0
55.05517	9.9
57.03443	20.8
57.07085	0.8
59.05008	6.1
65.03958	1.2
67.05510	100.0
69.07077	2.9
69.82348	2.6
70.06598	0.8
71.05000	4.7
79.05488	1.2
81.07063	12.8
83.08623	7.9
85.06552	3.0
91.05491	5.3
93.07027	3.4
94.86549	0.6
95.04973	0.7
95.08620	6.1
105.07022	0.8
107.08624	2.4
109.10166	92.7
111.08106	4.4
119.08583	7.4
127.11185	0.9
137.09641	5.0
155.10695	8.1
173.11748	35.0
229.14362	44.5
229.23494	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.33059	1.4
55.05521	8.9
57.03446	19.1
57.07093	2.2
59.05005	5.4
65.03940	2.6
67.05512	100.0
69.07079	1.7
69.61363	1.2
70.06605	2.2
71.04996	2.5
71.52917	2.2
73.96362	1.3
77.68295	1.2
81.07084	11.7
83.08617	6.7
83.44395	1.3
85.06551	3.8
91.05495	5.7
93.07063	2.3
95.08633	8.2
96.08943	1.8
106.24728	1.3
107.08640	2.2
109.10168	90.5
111.08105	3.5
119.08622	7.9
137.09616	4.4
151.56329	1.5
155.10696	6.0
173.11761	28.4
173.13193	2.0
206.11867	1.6
229.14357	40.1
229.17892	5.7
229.19894	1.5
229.23529	6.0
229.27184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.51118	2.8
55.01874	11.7
55.05503	12.0
57.03444	4.6
57.07074	4.6
67.05184	3.2
67.05512	49.4
69.07061	15.6
70.06600	2.4
71.04989	5.1
79.05501	15.0
81.07060	79.0
83.04967	7.3
83.08611	8.6
85.06547	6.1
91.05486	24.8
93.07057	16.0
95.04961	3.8
95.08608	20.2
97.06528	9.3
99.00791	2.7
99.08091	3.3
100.86318	2.1
102.09196	3.3
105.07031	34.6
107.08610	13.4
109.06528	4.3
109.10171	22.8
113.05969	4.1
118.64741	2.3
119.08587	31.8
121.10152	18.7
123.08063	3.4
123.11714	39.7
127.03819	2.8
127.07521	3.1
129.07016	5.0
133.10098	5.5
134.22083	2.4
135.12766	2.4
137.09650	3.0
137.13272	2.4
141.09114	2.3
147.11699	100.0
149.24100	2.3
157.10149	9.9
165.12761	50.6
173.11728	8.9
175.11194	12.7
183.13834	5.7
193.12247	10.3
229.14293	52.2
229.16243	3.9
229.23544	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.58103	2.8
55.01876	22.1
55.05517	20.2
56.96559	3.6
57.03431	13.8
57.07080	4.7
58.23046	3.1
59.05013	5.3
67.05511	100.0
69.07068	22.0
69.38403	20.6
70.06613	5.8
71.04981	8.8
76.51128	3.4
79.05474	13.6
81.06596	6.0
81.07064	99.1
83.04953	9.2
83.08633	17.6
85.06533	9.8
85.23084	3.4
86.16638	3.2
88.98270	3.1
91.05488	22.3
93.07025	15.5
93.85622	3.5
95.04958	3.4
95.08618	24.4
97.06530	5.9
97.99210	4.0
99.00809	6.4
102.09261	3.4
103.84072	3.5
105.07034	40.2
107.08595	9.6
109.06499	10.5
109.10168	62.5
111.08091	4.8
115.96428	5.8
117.06952	3.4
119.08584	32.6
121.10159	25.0
123.08120	5.2
123.11720	29.1
127.03889	3.0
127.07552	5.7
131.08655	4.0
133.10158	5.1
137.13246	5.6
140.98062	3.0
141.93208	3.4
147.11702	89.6
155.10632	5.2
156.05791	3.0
157.10129	4.0
159.11728	3.6
165.12775	48.4
173.11739	20.4
183.13728	6.2
193.12238	3.5
211.20558	3.2
229.04965	5.3
229.12274	5.4
229.14323	33.6
229.16164	3.8
229.23567	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01875	13.2
55.05510	8.6
57.03440	10.1
57.07081	1.7
59.05000	1.6
67.05513	19.0
69.03436	6.4
69.07072	16.6
70.06597	7.3
71.04988	3.9
71.52624	1.9
72.08150	1.5
73.02922	17.0
74.02454	7.6
75.02775	1.6
75.04468	1.1
79.05503	11.8
81.03420	1.9
81.06593	2.1
81.07064	42.6
83.04972	3.4
83.08617	3.1
84.08150	2.3
85.02915	1.5
85.06553	5.4
86.09704	2.2
91.05489	22.9
91.11964	1.0
92.08498	1.0
93.07053	11.9
95.04973	5.8
95.08620	12.2
97.02847	1.1
97.06541	13.9
99.00815	3.3
99.04446	1.7
105.07039	20.5
107.04966	8.7
107.08601	12.4
109.02885	5.9
109.05811	1.4
109.06531	23.0
109.10148	20.2
111.08080	2.1
111.11689	2.0
113.06017	2.3
113.09649	1.0
115.05463	1.7
117.06963	1.3
119.04948	26.5
119.08581	24.2
120.05700	3.3
121.06540	6.9
121.10152	14.7
123.04430	2.1
123.08060	6.8
123.11688	3.0
126.03782	1.4
129.07001	1.5
130.08609	2.3
131.08604	4.8
133.06512	1.2
133.10155	5.5
135.04425	11.9
135.08066	6.2
135.11667	3.8
137.06004	7.1
137.09631	30.6
139.11171	6.7
140.69159	1.1
141.06966	2.3
142.07806	2.5
143.08572	1.6
145.10164	3.2
147.08049	2.0
147.11693	18.9
149.09586	1.1
149.13354	1.3
151.07480	1.1
151.11153	4.1
153.07022	3.9
155.07249	1.4
155.08534	5.2
155.10637	3.5
157.10170	7.2
163.11176	3.2
165.07024	15.3
165.09116	1.3
165.12717	10.1
173.06026	1.1
173.11792	2.2
173.13202	1.4
175.11198	35.0
175.14784	1.8
181.06419	1.7
181.12239	4.5
183.08049	16.7
183.11589	1.5
183.13916	1.1
187.11131	2.1
193.12260	100.0
199.13206	2.3
201.09084	1.6
201.12654	1.5
211.07503	10.8
211.09564	2.0
211.11363	2.3
211.13268	21.4
211.15135	1.5
229.04860	5.9
229.08575	17.4
229.12277	3.6
229.14014	2.3
229.16217	5.4
229.19640	2.3
229.23587	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	4.3
59.07378	1.3
60.07884	0.5
60.08167	6.6
68.05011	0.9
70.06593	31.8
71.51540	0.4
72.08155	1.1
72.19459	0.3
84.04465	0.5
86.09686	0.4
96.08125	1.0
98.00702	0.3
98.06071	0.7
101.00858	0.3
109.95892	0.3
114.05521	3.3
114.09136	1.9
115.96728	0.3
116.07116	1.0
118.58405	0.3
124.07606	2.5
126.09200	0.7
133.03392	0.4
141.05180	0.4
142.08636	28.1
170.08131	1.4
183.11307	0.4
184.04562	0.6
220.21909	0.3
222.15962	0.3
228.86508	0.6
229.15477	100.0
230.15787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01885	0.5
55.94603	0.2
57.03443	0.2
58.06600	4.0
59.07393	0.8
59.26712	0.2
59.84789	0.2
60.08168	6.2
61.02950	0.2
68.05033	0.9
69.03463	0.2
70.06596	30.6
71.06913	0.2
71.21301	0.4
71.94102	0.6
72.08163	0.6
84.04499	0.3
84.08154	0.3
86.09715	0.4
96.08117	1.0
98.06048	0.4
101.00871	1.3
103.02460	0.2
112.96700	0.7
113.00879	0.4
114.05532	3.0
114.06681	0.2
114.09170	1.4
115.96642	0.8
116.07088	1.4
119.01943	1.4
123.53017	0.2
124.07606	3.2
126.09130	0.6
130.97781	0.2
131.01888	0.6
133.97659	0.3
142.08640	28.4
143.96127	0.2
145.03598	0.2
157.03491	0.2
161.02974	0.2
168.99837	0.3
170.08136	1.7
180.10480	0.2
182.97253	0.2
184.04601	0.4
187.00887	0.5
187.05704	0.3
192.02876	0.2
196.99359	0.2
201.02350	0.2
203.04135	0.3
215.00360	0.2
229.15480	100.0
230.15884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13222	1.8
52.76046	1.6
55.01870	3.5
55.05513	22.1
57.03419	6.5
57.07069	6.0
59.05000	2.4
60.08144	7.1
61.08525	2.2
65.00513	1.5
67.05509	64.7
69.07079	19.4
69.71509	5.7
69.71918	3.0
70.06586	2.2
71.04996	13.9
71.08637	2.6
79.05482	16.2
81.07063	82.2
83.04974	6.1
83.08624	18.1
85.06539	21.6
91.05496	21.5
93.07038	22.6
95.04974	3.0
95.08612	100.0
97.06003	2.5
97.06536	26.4
97.10160	7.3
98.00083	1.8
98.20748	2.4
99.00834	4.3
99.08101	13.3
105.07037	26.1
105.94338	2.3
107.08578	11.1
109.06524	3.0
109.09476	3.3
109.10163	37.7
111.08078	6.7
113.09634	4.7
115.07558	4.3
115.96437	4.3
117.07005	2.4
119.07804	2.8
119.08588	34.0
121.10143	10.1
123.08051	4.6
123.11684	3.4
131.08563	4.0
133.10117	22.5
133.97470	2.0
135.11705	15.0
137.09624	5.3
137.13269	15.7
145.10071	2.4
146.91798	2.4
147.11644	2.1
155.10643	4.1
159.11708	2.6
161.13261	77.9
161.14633	3.8
171.11655	2.2
173.11784	8.7
173.13132	2.9
179.14336	50.7
195.97543	1.9
197.15352	13.9
211.16899	2.4
229.08386	1.8
229.12184	3.5
229.14136	13.8
229.17944	4.1
229.19795	3.2
229.23532	4.7
229.27211	47.3
230.24753	3.9
244.07884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
53.27220	1.1
55.05496	3.7
55.93507	1.6
56.05021	2.1
56.94287	2.7
56.96548	4.8
58.06598	6.9
67.05509	1.8
68.04997	1.3
69.03407	4.5
69.07057	1.6
69.19594	2.5
69.19997	9.2
70.06596	31.9
71.04948	1.3
71.06905	1.5
72.08161	11.1
72.91895	1.4
72.93796	13.1
74.06070	1.4
80.04987	1.8
81.03403	1.7
82.06591	2.4
83.04955	1.7
84.04474	4.2
84.08154	12.0
84.96005	2.0
85.02908	7.3
86.06072	6.3
86.09708	6.8
87.04469	2.0
88.03964	2.0
89.03876	1.6
89.94050	1.6
90.94801	4.5
91.35819	1.1
95.04939	2.2
97.02851	3.5
98.06061	6.9
98.20702	2.3
98.97575	9.0
100.02499	1.3
101.00851	1.8
105.66892	1.0
109.02876	1.8
112.06853	2.5
112.07607	39.7
113.07143	2.3
113.96409	29.3
114.05503	1.6
116.07076	6.5
116.96353	7.1
116.98626	6.7
117.03345	1.2
119.01866	4.4
120.01991	1.1
124.11147	1.3
128.07024	2.1
129.02963	1.1
129.10213	4.0
130.08601	4.5
131.97452	14.7
134.97414	7.1
134.99606	4.5
135.04344	2.0
139.03854	3.0
140.05486	3.5
142.08600	1.8
143.01881	1.6
144.95856	1.8
145.03455	2.5
157.98920	4.0
158.06641	28.8
162.96886	2.0
163.03896	21.0
166.07233	1.4
166.08559	2.4
167.97430	2.8
170.06647	7.8
176.07716	11.2
183.96893	3.3
184.04507	3.6
184.09624	10.2
184.10928	1.2
185.98517	1.5
186.11235	1.4
187.04448	2.3
187.14374	1.7
188.07681	19.0
194.08067	3.0
197.02985	1.6
200.07646	3.1
206.95876	2.4
212.07677	100.0
213.12350	10.8
215.03888	4.0
230.05025	2.4
230.08655	72.5
230.13736	20.7
230.15738	4.6
230.17543	1.0
230.18617	1.2
233.05069	9.7
252.10172	1.5
253.10286	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23001	20.4
58.90349	20.5
59.43704	19.4
65.35027	26.2
68.76510	21.0
70.01805	100.0
70.06576	76.4
70.57475	22.5
88.03986	35.2
94.17809	22.0
96.19019	22.9
102.18606	24.0
116.07072	74.4
118.32642	23.0
142.38434	19.5
196.06007	32.4
208.85004	20.3
230.99007	59.1
231.09766	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66854	11.5
65.09341	9.8
67.35445	11.2
69.75484	42.2
70.06596	100.0
76.61704	9.0
88.04002	23.9
90.63922	8.9
98.21461	20.1
105.18844	10.8
111.76067	9.2
116.07104	77.9
125.07136	18.2
128.69937	10.3
171.07689	19.2
178.96727	10.2
196.06126	38.2
213.08762	13.4
227.09424	12.8
230.15793	53.1
230.99036	15.7
231.09831	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	231.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.46624	0.4
55.01863	1.0
55.05506	1.6
57.03416	0.6
57.07072	0.7
59.05001	0.8
65.03919	0.6
67.05506	7.4
68.99798	0.5
69.03132	0.5
69.03432	5.0
69.07058	1.4
69.38341	0.7
69.38744	3.3
71.01359	3.6
71.04991	3.2
73.02901	2.2
73.06552	1.1
79.05489	2.1
80.26758	0.5
81.07059	7.3
83.04979	3.8
83.08630	1.5
85.06551	2.4
91.05466	2.5
93.07056	5.5
95.04974	44.3
95.08606	2.1
97.02890	2.8
97.06550	1.0
99.04454	1.6
99.08072	0.5
105.07040	4.9
107.08597	6.4
109.06528	2.7
109.10145	3.7
110.92591	0.5
111.04430	0.7
111.08089	2.0
113.06009	43.9
117.07047	0.9
119.08567	1.2
121.06479	1.1
121.10156	2.3
123.04462	2.9
123.08056	0.7
123.11682	3.0
128.06219	3.8
129.07025	0.5
131.08580	0.9
133.10138	6.2
135.08063	2.1
135.11708	1.2
141.05469	100.0
142.05821	0.7
143.08566	10.4
143.09673	0.6
145.10223	0.5
149.13231	0.6
151.09964	1.1
151.11186	22.8
157.10083	0.7
159.11720	0.9
161.09627	15.7
163.07506	0.9
167.10564	0.5
169.14235	1.1
177.12772	0.9
179.10687	14.8
181.08620	0.7
181.26270	0.5
184.96162	0.5
185.13217	1.0
187.15204	0.9
195.13823	1.0
197.11734	4.4
213.12761	0.9
213.14848	1.0
231.06461	1.0
231.12067	4.5
231.14226	0.9
231.17691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1593
Annotation	Talaromycin A
Peak:m/z	Relative Intensity
53.03942	1.5
55.01861	4.3
55.05512	30.5
57.03442	26.0
57.07072	3.3
59.84678	1.2
61.36332	1.3
67.05508	12.4
68.14739	1.1
69.03423	3.5
69.07074	100.0
70.06611	1.5
71.05000	7.6
71.52707	1.3
72.08149	3.7
73.06552	2.0
79.05496	17.2
81.07058	30.1
83.04992	10.3
83.08632	4.1
84.08177	2.5
85.06537	1.2
86.09702	2.9
91.05492	6.5
93.07053	44.6
95.04975	2.1
95.08614	16.8
97.06541	19.1
97.10181	18.2
101.06040	2.6
105.07033	5.8
107.08622	2.0
109.06491	2.1
111.04481	1.3
111.11738	8.8
115.07609	1.4
117.07048	1.6
119.08556	3.4
121.09332	2.4
121.10153	33.3
128.06262	1.4
129.06984	1.4
131.08617	1.4
132.95900	2.5
133.10149	3.2
139.11191	35.0
142.07790	1.9
143.08559	3.0
145.10132	2.5
157.10123	2.8
157.12259	3.2
159.11679	1.9
161.09680	1.6
171.08107	1.3
171.11662	2.1
173.09546	1.8
175.11176	1.7
175.14827	1.6
185.05940	1.9
185.13298	3.9
213.12779	4.6
231.03014	1.3
231.06516	4.0
231.13947	7.6
231.15935	93.8
249.14861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
69.15234	34.4
69.15644	77.2
72.08163	100.0
74.06061	17.2
84.04508	16.3
86.09699	30.2
91.91969	12.1
95.46834	10.3
118.03625	9.7
120.70840	10.4
130.05023	11.3
152.06985	12.8
196.69482	11.0
198.07643	14.1
201.75533	11.1
211.59683	10.7
211.68588	11.6
233.04259	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	4.2
70.06596	4.5
71.00549	5.7
71.00877	5.2
72.08157	5.8
74.06058	4.5
76.02213	6.7
84.04495	10.9
84.08153	6.0
85.02880	6.7
86.09225	6.4
86.09715	100.0
101.00876	12.6
102.05559	4.4
104.07090	6.4
109.03116	3.8
111.11470	3.4
113.00852	4.5
115.02442	6.8
117.03949	4.4
119.01927	18.2
120.06569	5.2
127.03892	4.0
130.08611	4.4
131.01811	5.2
133.03468	20.1
143.01892	7.0
145.03439	6.8
152.05035	6.0
161.02963	8.3
161.84900	4.3
173.02988	11.7
175.87596	3.2
189.02473	4.7
191.04037	19.7
206.68408	4.0
233.01616	4.0
233.04747	11.8
233.11269	4.2
233.15005	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	233.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37135	0.6
52.54804	0.5
53.03950	0.8
54.92687	0.6
55.01876	1.8
55.05512	3.0
56.05039	8.4
56.96573	3.8
57.03441	3.3
58.06601	2.2
58.99578	1.1
60.04527	0.9
61.02936	1.2
67.05511	0.8
69.03434	3.6
69.07081	3.0
70.02960	1.9
70.06597	4.1
70.95866	0.9
70.99881	0.7
71.51604	0.9
72.08160	22.9
72.93793	1.2
73.02916	1.9
74.02442	1.5
74.06086	100.0
76.02242	7.3
79.05510	1.0
81.03429	1.3
82.06601	1.6
82.99866	0.7
83.06094	1.1
84.04509	19.4
84.08138	8.9
85.01428	1.6
85.02905	6.7
85.06557	0.9
86.06075	1.4
86.09711	21.1
86.10246	1.0
87.04447	0.9
88.03994	6.4
90.05563	14.2
90.94843	0.7
91.05487	1.4
95.01334	0.9
95.04989	0.8
97.02922	2.7
97.04031	1.0
98.02456	0.6
98.06051	3.5
98.97609	2.2
99.09251	1.1
100.99157	1.5
101.00896	5.6
101.02390	1.0
102.05541	3.0
103.00671	1.1
103.02438	3.8
104.07112	5.5
104.10766	2.7
109.02904	1.0
110.02406	0.9
110.07214	0.7
110.97599	0.9
113.06054	0.9
114.05503	0.6
115.00655	0.7
115.02445	2.3
116.07102	22.4
116.98595	0.7
118.08681	5.3
119.00223	0.9
119.01921	10.0
119.95766	0.7
120.06609	1.4
121.01690	1.9
121.03522	1.8
121.06523	0.9
123.04462	0.7
124.07625	0.9
124.11234	0.8
126.05524	3.9
127.02415	1.0
127.03989	1.5
127.08699	2.7
128.07091	0.8
128.98671	1.5
129.10242	1.2
130.05022	14.2
130.06541	0.7
130.08659	1.6
131.01889	3.6
131.08606	0.9
132.10254	0.9
132.95842	6.9
133.00827	0.7
133.01683	3.1
133.03461	14.8
133.04399	0.9
137.02957	1.3
139.02597	0.5
140.10835	0.7
142.05017	0.7
142.08633	1.6
143.01907	6.8
143.03633	1.2
144.06570	26.3
144.95868	1.7
145.01775	1.1
145.03491	5.0
147.03313	1.0
147.07907	0.5
149.02980	0.8
149.97198	0.8
150.96901	8.2
151.01756	0.9
151.02792	1.5
151.04515	3.9
152.07076	4.5
152.55009	0.7
155.01895	0.8
155.07050	0.9
155.08211	1.3
156.06599	0.8
157.03511	2.8
159.01427	0.7
159.04947	0.7
159.06589	0.7
161.01196	1.1
161.02937	9.0
162.07687	1.7
162.96912	3.6
162.99210	0.6
163.02782	1.3
163.04015	1.3
169.03513	1.4
170.08229	1.0
170.11836	2.1
171.05119	0.8
173.03032	2.7
173.06778	0.7
173.09332	1.8
173.97246	0.8
175.02847	0.8
175.04495	1.4
177.02527	1.4
179.02298	3.1
184.04695	0.7
185.02971	1.6
186.96974	0.9
187.00967	4.6
187.02803	1.5
187.04585	5.8
187.06230	1.0
187.10803	6.7
187.14557	1.9
188.02458	0.8
188.12738	0.7
189.00722	0.7
189.09622	0.8
190.98750	1.3
191.04085	5.2
191.10350	0.7
194.04552	0.7
197.03186	1.2
197.09348	0.9
198.07672	2.6
198.11304	2.4
201.02559	1.2
203.04016	1.3
204.98016	2.5
205.02008	1.0
205.03873	2.3
205.10345	0.8
207.01799	1.0
207.05394	0.7
208.99763	3.0
210.02452	3.0
210.06100	0.8
214.96564	2.7
215.03947	3.1
215.10362	3.8
215.13921	3.0
217.10814	1.0
219.03551	1.3
221.03334	0.8
232.97485	7.4
233.05002	16.7
233.07970	1.9
233.11438	2.8
233.14972	9.7
233.18681	1.2
251.02420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.01900	0.6
55.05503	1.6
56.05039	14.3
56.96568	3.2
57.03426	2.9
58.06611	3.4
58.99598	0.9
60.04534	1.3
69.03431	1.2
69.07059	0.7
69.19598	3.4
69.20030	2.1
70.06595	3.9
71.06937	0.9
72.08158	10.2
72.93755	0.6
74.06084	100.0
74.68169	0.6
76.02237	5.4
79.05494	0.7
82.85239	0.6
83.04990	0.6
84.04510	6.4
84.08148	1.9
84.36716	0.5
85.02918	1.4
86.09711	23.0
90.94836	0.8
91.05502	1.2
93.30611	0.5
95.04983	0.8
95.08651	0.6
98.21547	1.1
98.97586	1.1
99.04452	0.7
101.07127	2.1
104.07114	0.7
104.10746	0.8
105.07048	1.0
107.04967	0.7
111.04430	1.3
116.07130	2.1
116.98676	0.8
117.07032	0.7
119.01926	0.7
119.08571	1.0
121.02876	0.6
121.06548	1.0
125.11623	1.6
130.05028	1.8
130.96219	0.6
131.08553	0.6
132.09219	1.2
132.10211	18.6
132.95860	1.7
133.01677	0.7
134.08141	6.3
142.12294	0.9
143.11719	0.7
149.05917	0.7
150.96875	1.4
159.08174	0.7
169.13419	1.8
170.11742	3.2
171.12134	11.0
173.08188	0.7
173.09630	0.7
187.14435	11.2
189.09563	1.6
189.13208	0.6
190.98747	0.7
191.07051	1.3
205.10194	0.7
208.99728	1.1
215.07227	0.7
215.10815	0.7
215.13898	6.3
216.12164	0.5
217.10789	1.7
222.63443	0.7
233.04317	0.9
233.06158	0.9
233.08075	2.0
233.10017	0.9
233.14966	16.4
233.18872	0.8
242.10429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
53.03964	0.9
55.01870	0.9
55.05516	3.2
55.61552	0.6
57.03431	0.8
57.07072	1.2
59.05005	4.9
67.05515	5.2
69.03096	0.7
69.03443	11.9
69.06733	0.7
69.07079	9.3
70.53596	2.0
71.04990	2.9
79.05493	5.4
80.47593	0.6
81.03450	1.1
81.07069	13.9
83.05000	1.2
83.08614	1.7
85.02879	0.7
87.04485	3.3
88.07617	0.9
91.05489	7.3
92.06258	0.7
93.07053	14.3
95.04978	7.8
95.08616	11.4
97.02837	0.8
97.06537	5.4
99.04453	1.0
104.42751	0.7
105.07047	13.7
107.04963	1.0
107.08606	14.9
109.06543	3.8
109.10153	5.2
111.08086	2.0
117.07043	3.7
119.04959	0.6
119.08595	26.0
121.06528	8.6
121.10155	17.2
123.08059	2.5
123.11674	1.0
127.11163	1.3
130.07762	1.0
131.08601	7.8
133.10143	9.3
134.10933	7.8
135.08058	5.2
135.11696	3.0
137.09628	2.3
141.06969	1.0
142.07774	0.9
143.08563	1.2
145.06497	1.3
145.10150	15.5
145.56070	0.7
147.08055	1.8
147.11690	3.0
149.09644	4.8
149.13249	1.3
151.07481	0.6
155.08553	3.1
156.09370	1.5
157.10150	2.5
158.07231	0.8
159.08057	5.1
159.11700	8.3
161.09674	1.3
161.13263	2.5
163.11215	5.9
163.14767	1.0
169.10181	2.0
171.11731	2.3
173.09639	7.1
173.10872	1.0
173.13246	3.9
175.11227	1.2
176.98451	0.6
177.09149	1.7
177.16396	6.4
180.53806	0.7
182.10948	2.2
186.18575	1.4
187.11143	1.7
187.14838	13.2
189.12764	2.4
197.13274	10.7
205.15862	7.5
215.07024	1.3
215.14345	21.1
233.08073	2.5
233.15385	100.0
234.20747	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.75951	0.4
53.03942	1.8
53.87046	0.5
55.01872	0.6
55.05517	3.1
56.96566	0.5
57.07063	2.2
59.04988	0.7
61.52865	0.4
67.05518	2.3
68.04982	0.5
69.03140	0.5
69.03435	5.8
69.07061	1.3
70.10702	2.0
71.04981	1.5
76.02232	1.0
77.03955	0.7
79.05499	34.4
81.07065	3.2
83.04965	2.4
83.08626	3.4
83.09035	0.6
84.08208	0.4
85.02872	0.6
85.06550	4.2
87.04445	0.6
91.05476	5.4
93.07045	6.3
95.04956	3.4
95.08624	2.8
97.06525	2.2
99.04411	0.5
105.04529	0.9
105.07041	9.8
105.44975	0.5
107.04961	39.4
107.08601	8.7
109.06509	1.5
109.10141	0.9
111.08085	3.5
112.92396	0.6
113.05997	1.8
115.05454	0.7
117.07018	2.7
119.08586	12.4
121.06509	1.9
121.10156	5.2
123.08067	1.4
123.11673	0.9
125.09630	1.7
128.06197	0.6
129.06996	2.1
130.07738	0.6
131.08580	12.4
133.07657	0.5
133.10139	10.3
135.04701	0.5
135.08046	3.8
135.11670	0.5
137.09602	5.4
142.07796	2.3
143.08556	2.7
145.06462	0.5
145.10133	12.7
146.10883	1.5
147.08051	14.7
147.11696	14.7
149.09631	6.3
149.13309	2.3
150.10371	0.5
153.09071	1.2
155.08514	1.0
156.09311	1.2
157.10153	6.9
158.10876	2.4
159.08070	1.9
159.11720	1.8
160.08871	1.7
161.13277	1.1
163.11159	4.0
163.14804	0.5
167.08562	0.5
169.10104	0.8
171.11684	2.5
172.12444	0.8
173.09642	1.4
173.13269	10.7
174.10345	0.6
175.11197	23.0
177.09100	0.7
182.10915	1.8
187.14836	3.6
189.12723	8.2
191.14323	47.3
197.13348	3.0
205.12146	0.5
205.15799	0.6
215.14354	9.5
233.15379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03943	1.7
55.01857	1.0
55.05510	3.3
56.20775	0.7
57.07058	3.0
59.05014	0.8
67.05505	6.8
69.03432	15.5
69.07068	2.7
70.80484	1.8
71.04975	1.7
71.40439	0.7
76.02235	1.7
77.03925	0.9
79.05497	15.2
81.07062	11.4
83.04990	1.7
83.08611	2.4
84.04468	0.7
85.06520	1.7
90.68078	0.8
91.05486	15.5
93.06543	0.5
93.07050	11.3
95.04973	32.7
95.08631	4.5
97.02898	0.8
99.61384	0.7
103.05476	2.3
103.17497	0.6
105.07027	17.1
105.07695	1.4
107.04956	11.1
107.08595	13.4
109.02868	2.4
109.06519	8.0
109.10182	6.3
111.04441	2.8
111.08076	2.2
113.05994	0.9
115.05475	1.4
117.07045	4.5
119.08585	100.0
121.06532	3.9
121.10148	14.6
123.08081	2.4
123.11714	4.8
128.06229	0.7
129.07011	2.4
130.07790	1.2
131.08569	14.7
133.06505	7.8
133.10133	10.0
134.10875	0.8
135.08057	4.7
135.11674	1.8
137.09583	0.8
141.07008	1.3
142.07756	2.2
143.08578	3.4
144.09343	1.4
145.06483	2.1
145.10135	12.9
147.08028	3.3
147.11681	8.7
149.05901	0.9
149.09627	10.3
149.13271	1.2
150.58971	0.8
151.11148	2.1
155.08536	3.1
156.09361	2.7
157.10109	7.1
158.02310	1.4
158.07312	1.3
158.10948	1.7
159.08052	6.2
159.11682	5.9
160.08847	1.0
161.13147	1.7
163.07562	1.1
167.08569	2.8
169.10085	3.9
171.11710	5.5
172.12488	1.1
173.09648	6.8
173.13264	7.6
175.11185	7.2
177.09119	2.3
177.12753	1.2
182.10913	7.0
185.09572	1.3
187.11220	1.3
187.14830	9.4
189.12735	8.8
191.14323	13.4
197.13257	9.8
205.12279	1.2
215.14334	18.6
215.17589	0.7
233.07889	1.4
233.15373	61.2
233.23013	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03936	2.5
55.05499	2.7
57.03392	0.7
57.07073	0.7
58.60095	0.7
67.05508	1.1
69.03442	4.2
69.07054	0.9
71.04973	0.7
71.52689	0.6
76.02224	1.2
79.05497	41.0
81.07067	1.8
83.04968	1.6
83.08623	4.5
85.06555	0.8
91.04593	0.8
91.05473	2.9
93.07034	3.1
95.04962	3.0
95.08596	0.7
97.06564	0.9
105.03379	0.8
105.04539	0.9
105.07031	5.5
107.04961	43.2
107.08589	6.9
107.44192	0.7
108.98229	0.7
109.06520	1.4
111.08096	4.1
119.08575	3.9
121.06570	1.1
121.10166	4.8
123.08040	0.9
125.09631	2.0
129.06993	1.1
131.08615	3.7
133.10167	5.8
135.08011	2.1
135.11705	0.8
142.07808	1.2
143.08540	1.4
145.10146	3.2
147.11679	5.7
149.09639	5.9
149.13258	2.0
157.10161	2.1
158.10858	1.0
159.08105	1.4
159.11705	1.2
160.08810	0.9
173.09605	1.0
173.13266	3.2
175.11179	7.5
177.09059	1.0
191.14317	52.1
197.13223	1.3
209.53001	0.7
215.14362	1.4
217.10706	0.8
233.12022	6.1
233.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03952	1.3
55.05507	4.5
57.03426	1.0
57.07078	0.9
65.03937	0.8
67.05503	10.4
69.03419	1.6
69.07065	5.4
71.05013	0.9
76.02238	2.3
77.03951	0.6
79.05492	13.0
80.65405	0.5
81.07055	18.9
83.05006	0.8
83.08612	2.3
84.08160	0.9
85.02904	0.6
85.06547	1.7
86.09714	1.3
86.30301	0.6
91.05484	42.8
93.07047	17.2
94.99389	0.6
95.04970	5.4
95.08611	15.2
97.06523	2.7
99.04500	0.8
103.05499	0.7
105.07033	66.2
107.04955	1.3
107.08598	14.5
109.06519	4.3
109.10166	5.1
111.04404	0.9
111.08070	2.4
115.05428	0.9
117.07034	4.9
119.08585	32.4
121.06513	2.5
121.10186	9.2
123.08092	2.0
123.11752	0.9
125.06004	1.6
125.09632	0.7
128.06250	0.6
129.07001	3.9
130.07764	0.7
131.08577	14.9
133.10133	11.2
133.11093	0.8
135.08060	2.5
135.11650	3.2
137.09641	1.0
142.07777	1.1
143.08545	1.8
144.09357	1.0
145.06529	0.7
145.10120	21.4
147.08069	1.7
147.11691	100.0
149.06010	1.0
149.09628	1.5
149.13246	1.7
155.08572	0.9
157.10110	8.2
159.08066	2.4
159.11702	10.0
161.09633	0.6
161.13280	1.6
163.11200	1.4
167.03465	1.2
171.11751	0.9
173.09624	2.6
173.13258	2.6
175.11189	76.5
177.09100	1.5
177.12723	1.4
177.16383	4.4
187.07574	1.5
187.11203	1.5
187.14825	19.9
191.10686	1.1
191.14383	1.1
191.16187	1.2
197.13234	1.6
205.15907	3.8
215.07037	1.7
215.10921	0.7
215.14336	7.3
215.18002	0.8
215.97795	0.6
217.10645	0.9
231.20671	0.6
233.04326	1.4
233.08080	2.6
233.15363	89.7
233.22256	2.3
251.16405	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	234.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.7
55.05515	9.9
56.96576	0.5
57.07081	13.4
58.99582	0.5
61.37560	0.5
70.96019	1.0
79.05466	0.5
83.04957	0.7
85.01136	1.1
85.02864	0.4
86.00630	0.7
87.08112	100.0
98.09692	0.6
98.26519	0.4
98.97570	4.0
102.03767	0.9
107.08537	0.6
111.04464	1.0
113.04251	0.8
116.98620	0.6
131.01642	1.8
132.01187	2.1
148.04274	10.5
149.09628	1.0
155.07039	1.6
156.08423	0.5
158.99734	1.2
159.04750	1.0
173.08173	1.7
177.00754	1.1
198.05530	0.8
202.03107	1.0
202.08968	7.7
213.07805	1.9
216.06642	1.0
217.10730	3.9
217.12677	0.6
222.08411	1.6
234.08133	0.6
234.08966	0.6
234.11575	12.7
234.15062	0.7
234.22363	0.5
241.00175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.149
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
53.86032	0.1
54.93576	0.1
55.05499	0.1
71.52658	0.1
74.14537	0.1
79.05469	0.1
83.04979	0.2
86.88284	0.1
91.05483	0.3
98.97581	0.1
105.07018	0.1
111.04459	0.4
117.05767	0.1
117.07057	0.1
118.06523	0.2
119.08571	0.2
130.06551	0.3
131.07312	0.2
131.08627	0.2
132.08083	0.4
144.08075	0.4
146.09599	0.4
155.07007	0.5
160.11197	1.0
164.07054	0.1
173.08029	0.6
174.12799	0.2
175.06354	0.1
176.07092	22.1
177.07846	0.5
188.07048	0.3
189.07831	0.1
189.15129	0.8
190.08647	9.4
191.09453	2.0
192.07385	0.3
192.10234	0.8
204.10226	7.2
205.10991	0.3
206.11856	0.2
213.07864	0.6
216.13799	0.4
217.10698	1.1
218.11798	0.5
234.14911	100.0
235.15169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.36383	0.2
57.86545	0.2
70.06564	0.2
71.52850	0.2
79.05496	0.3
81.07027	0.2
83.04967	0.9
87.04494	0.2
89.06025	0.2
91.05470	0.3
93.07027	0.5
95.08580	0.2
98.97580	0.3
101.05997	0.4
105.07009	0.2
110.27547	0.2
111.04435	1.5
116.25963	0.2
118.06515	0.5
120.08889	0.2
129.05478	0.3
130.06520	0.5
131.07277	0.3
132.08075	0.3
155.07008	1.8
160.11214	0.8
173.08081	1.5
176.07069	23.7
176.14334	0.5
177.07790	0.5
188.07039	0.3
189.15086	0.8
189.83011	0.2
190.08626	5.1
191.09508	1.1
192.10217	0.5
199.09583	0.3
202.03117	0.5
204.10205	6.0
214.08598	0.2
216.13820	0.3
217.10704	4.6
218.11787	0.6
234.14888	100.0
235.15266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9172
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68177	0.7
69.82206	2.6
73.42979	0.6
83.69286	0.6
118.61131	0.6
136.70860	0.6
136.94029	100.0
144.93974	0.5
163.01903	0.7
220.11768	0.5
224.70039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.12938	1.1
53.00301	1.2
53.20043	1.1
55.03721	1.1
55.05516	6.8
56.05041	7.8
57.07088	10.1
58.06584	3.4
58.07405	1.4
59.04992	2.8
59.06909	1.4
60.04535	1.2
67.05190	1.4
67.05516	17.8
69.03419	2.4
69.07077	9.7
69.50045	2.5
69.50447	6.2
71.05002	27.8
71.08637	1.8
73.06541	2.8
74.06095	5.4
75.06395	1.8
79.05506	9.6
81.07068	29.3
83.04974	4.4
83.08607	3.5
85.06557	2.2
88.07635	13.5
89.06046	8.1
89.07960	6.7
91.05485	14.1
93.07060	27.0
95.04986	11.5
95.08061	1.9
95.08617	20.5
97.06562	1.8
97.10175	2.1
99.08026	1.2
105.07043	34.0
107.08610	59.8
109.06537	6.4
109.10172	33.2
111.08099	17.0
117.07009	1.8
118.08669	2.5
119.08592	30.6
121.06490	3.7
121.10153	19.7
122.08110	2.5
123.07984	2.6
123.11717	2.8
125.08786	2.0
125.09650	29.4
130.07813	1.5
131.08591	13.0
133.10144	20.3
135.08075	2.5
135.11708	24.9
137.09621	2.3
139.07541	1.6
142.07809	2.2
143.08572	2.0
145.10143	18.3
146.68607	1.1
147.08034	4.5
147.11708	65.3
149.09602	3.8
149.13245	2.2
153.12753	11.4
157.10138	6.5
159.11743	7.1
161.09627	4.4
161.13307	5.4
163.11171	3.0
165.09081	2.3
165.12738	7.8
171.11659	1.4
173.13252	5.1
174.08438	1.1
175.11237	6.4
175.14848	10.3
179.10670	6.5
186.18517	4.2
187.18900	42.2
189.16402	38.2
191.17969	2.6
193.15892	3.3
199.14803	5.8
201.02124	1.2
207.17432	2.4
217.12419	1.8
217.15884	28.2
235.17007	71.0
235.20972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.01870	1.9
55.05509	6.9
56.96550	1.0
57.07077	15.9
57.12915	0.8
58.96121	1.2
59.04975	2.7
59.89425	1.0
65.03935	1.2
67.05502	9.9
69.03435	4.9
69.07076	12.2
69.22093	8.7
71.05011	5.0
71.61465	0.9
73.12576	0.9
79.05492	9.6
81.07057	18.8
83.04968	3.4
83.08621	5.3
85.06539	3.9
91.05473	13.4
93.06477	1.5
93.07047	20.9
95.04985	6.8
95.08611	19.3
97.05992	1.2
97.06531	11.3
98.21468	1.9
99.04491	1.4
99.98744	1.7
101.06025	1.1
103.05499	1.4
105.07036	29.7
107.08593	29.9
109.02834	0.9
109.06531	6.5
109.10159	15.1
111.08080	4.1
111.74113	0.9
113.96408	0.9
115.05417	1.1
117.07034	5.2
119.04898	1.0
119.08587	78.6
121.06519	2.5
121.10146	18.8
123.04399	1.5
123.08058	4.4
123.11704	5.2
128.06187	2.6
129.07005	3.7
131.08563	13.9
133.06503	1.3
133.10133	47.1
135.08061	18.6
135.11732	7.6
137.09657	6.2
139.11156	2.3
142.07768	3.4
143.08546	9.3
144.09358	1.7
145.10139	11.5
146.07230	2.5
146.10789	1.0
147.08069	6.5
147.11697	18.2
148.08939	1.0
149.09616	4.9
149.13240	1.6
149.23271	0.9
151.11203	9.2
156.09355	2.6
157.06445	1.2
157.10114	11.7
158.10899	4.1
159.08064	1.6
159.11691	13.3
160.08817	2.2
161.09625	49.7
161.13254	4.1
169.10080	1.8
170.10884	1.6
171.11703	7.1
173.13266	20.4
174.13980	1.3
174.61510	1.0
175.07474	1.5
175.11198	10.4
175.14841	16.7
177.12767	3.3
179.10692	16.8
183.79755	0.9
184.12399	2.7
187.11182	1.9
187.14798	4.9
189.12755	3.9
189.16397	20.8
191.14287	3.7
193.15860	3.4
199.14832	11.3
202.13521	1.5
217.15883	85.6
217.19438	2.7
218.11084	1.3
235.06038	1.8
235.16931	100.0
235.20264	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	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
54.14105	0.8
55.05278	1.7
55.05520	22.5
57.07066	2.8
59.05012	1.4
67.05510	6.3
69.03427	4.0
69.07081	12.1
69.45267	2.5
69.45683	4.7
71.04984	3.4
78.83008	1.0
78.84905	0.9
79.05505	6.0
81.07067	11.6
83.04494	2.1
83.04987	42.3
83.08627	31.5
85.06528	2.4
91.05492	4.7
93.07050	16.3
95.04966	6.2
95.08611	13.7
97.02892	1.3
97.06537	8.2
97.10178	2.3
99.08089	1.4
100.06274	1.0
102.12947	0.8
105.03330	0.9
105.07043	8.9
106.02412	0.9
107.04951	1.2
107.08608	21.2
109.06530	9.9
109.10159	23.7
111.04455	22.0
111.08116	5.6
113.05996	1.8
113.09662	7.2
117.06980	1.9
119.08584	8.1
121.06509	13.7
121.10145	13.6
123.08054	4.3
123.11723	4.8
125.05981	3.4
125.09623	8.4
127.07556	6.0
127.08357	0.9
128.06238	1.0
131.08569	3.4
133.10165	10.7
135.08060	9.6
135.11710	3.0
136.08859	19.7
137.09627	19.3
139.07529	6.6
143.08594	1.5
144.09404	1.6
145.10091	1.6
146.06087	1.3
146.07256	1.1
147.11627	1.3
149.09605	2.2
149.13261	19.3
151.11195	2.4
153.09125	10.2
155.10760	1.2
159.11708	13.3
161.09627	15.3
163.03926	1.0
167.14339	4.1
173.13261	4.9
177.09099	1.3
177.12759	17.0
179.10681	48.9
191.14308	1.7
192.06529	3.0
195.13823	48.1
201.12750	2.8
219.13757	7.8
219.17371	1.3
237.14859	100.0
237.22142	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	239.1644
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.77612	1.3
53.19014	1.4
55.01873	3.4
55.05516	13.3
57.03423	2.1
57.07058	7.0
65.03941	3.5
67.05181	2.2
67.05508	30.4
69.03436	15.3
69.07069	12.1
70.06575	1.7
70.10697	5.4
71.04668	1.5
71.05003	21.5
72.96929	1.4
78.73347	1.7
79.05497	19.8
81.06594	2.2
81.07064	42.3
83.01323	1.5
83.04998	8.5
83.08630	10.9
85.02916	8.2
85.06551	11.7
89.06034	9.6
91.05479	9.6
93.07049	32.9
95.04980	22.4
95.08611	34.3
97.06535	23.5
97.10140	3.4
99.04449	4.4
99.08077	2.5
105.03387	4.9
105.07048	32.0
107.04950	1.8
107.08606	69.3
109.06522	21.1
109.09468	2.4
109.10164	31.3
111.04453	4.6
111.08097	10.9
113.06023	2.6
113.09684	10.6
115.03918	3.1
117.07031	3.3
119.08591	23.6
121.06506	7.1
121.10158	20.7
123.04403	3.2
123.08077	8.8
123.11726	19.3
125.05968	8.5
125.08771	2.4
125.09636	20.0
129.06949	1.7
131.08533	4.4
133.06514	3.1
133.08597	4.5
133.10149	15.5
135.08072	3.9
135.11710	24.3
137.09583	5.8
137.13196	1.8
139.07530	7.0
139.11133	1.6
141.05447	2.1
143.08556	5.5
145.10150	27.2
147.08046	2.3
147.11688	5.5
149.09554	1.6
150.26807	1.7
151.03893	4.7
151.07553	2.3
151.11165	8.9
153.09039	3.3
155.10637	1.6
157.10088	4.4
159.11646	5.6
161.06042	2.1
161.09688	8.1
161.13243	14.6
163.11217	8.8
165.09169	4.9
165.12737	1.8
169.04967	5.0
169.10017	2.8
175.11188	4.3
175.14822	17.5
179.03365	7.0
179.10645	5.0
179.14310	6.8
181.12335	1.5
183.11743	2.2
185.13280	18.4
185.91440	1.7
193.15904	11.2
197.02803	2.6
197.04483	33.2
197.13266	3.6
203.10672	3.0
203.14333	20.2
211.14893	2.0
211.16916	32.1
221.11763	4.6
221.15364	19.7
239.06709	3.4
239.08958	58.8
239.12668	3.5
239.16403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39791	1.8
53.03928	3.6
55.01844	2.3
55.05518	28.4
57.03429	4.6
57.07082	26.9
57.91975	1.8
58.81735	2.2
59.05010	23.3
60.64928	2.3
62.41404	1.9
67.05510	22.9
69.03434	2.4
69.06730	2.7
69.07074	39.9
69.76414	12.8
71.05007	12.2
71.08627	4.5
73.06553	3.2
79.05492	14.4
79.77610	2.1
81.07069	88.2
83.04990	3.8
83.08627	26.4
85.02921	12.6
85.06549	10.0
87.04452	3.1
89.06037	6.9
90.19725	2.0
91.05478	10.2
92.43771	2.0
93.07048	36.5
95.04969	3.2
95.08618	100.0
97.06537	13.3
97.10191	20.4
98.21452	3.3
99.08105	6.9
104.51253	1.9
105.03429	2.1
105.07054	16.3
107.08606	58.2
109.06560	10.1
109.09470	3.4
109.10171	52.9
111.08083	11.7
111.11048	2.3
111.11736	23.2
115.07561	3.3
117.07092	2.0
119.08595	33.9
121.10165	34.0
123.08063	7.4
123.11720	34.4
125.09671	13.2
127.11191	6.7
131.08653	3.1
133.10150	31.7
135.11711	48.7
137.09627	7.5
137.13272	63.7
139.07539	2.7
139.11217	19.4
143.10721	10.2
147.11694	25.6
149.13283	16.8
151.11206	11.2
151.14832	2.9
153.09103	2.5
153.12744	7.1
157.12210	4.1
159.11658	2.7
161.13246	14.4
163.14845	31.8
165.09229	2.6
165.12766	8.0
175.14862	8.9
177.16391	9.7
179.03461	3.6
186.22835	2.3
187.08536	2.2
193.19576	10.3
197.04454	5.5
203.03438	2.3
203.10684	2.3
203.17987	71.9
221.15424	5.8
221.19023	79.9
239.08908	19.3
239.12672	3.8
239.16315	2.6
239.17883	3.5
239.20071	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.39791	1.8
53.03928	3.6
55.01844	2.3
55.05518	28.4
57.03429	4.6
57.07082	26.9
57.91975	1.8
58.81735	2.2
59.05010	23.3
60.64928	2.3
62.41404	1.9
67.05510	22.9
69.03434	2.4
69.06730	2.7
69.07074	39.9
69.76414	12.8
71.05007	12.2
71.08627	4.5
73.06553	3.2
79.05492	14.4
79.77610	2.1
81.07069	88.2
83.04990	3.8
83.08627	26.4
85.02921	12.6
85.06549	10.0
87.04452	3.1
89.06037	6.9
90.19725	2.0
91.05478	10.2
92.43771	2.0
93.07048	36.5
95.04969	3.2
95.08618	100.0
97.06537	13.3
97.10191	20.4
98.21452	3.3
99.08105	6.9
104.51253	1.9
105.03429	2.1
105.07054	16.3
107.08606	58.2
109.06560	10.1
109.09470	3.4
109.10171	52.9
111.08083	11.7
111.11048	2.3
111.11736	23.2
115.07561	3.3
117.07092	2.0
119.08595	33.9
121.10165	34.0
123.08063	7.4
123.11720	34.4
125.09671	13.2
127.11191	6.7
131.08653	3.1
133.10150	31.7
135.11711	48.7
137.09627	7.5
137.13272	63.7
139.07539	2.7
139.11217	19.4
143.10721	10.2
147.11694	25.6
149.13283	16.8
151.11206	11.2
151.14832	2.9
153.09103	2.5
153.12744	7.1
157.12210	4.1
159.11658	2.7
161.13246	14.4
163.14845	31.8
165.09229	2.6
165.12766	8.0
175.14862	8.9
177.16391	9.7
179.03461	3.6
186.22835	2.3
187.08536	2.2
193.19576	10.3
197.04454	5.5
203.03438	2.3
203.10684	2.3
203.17987	71.9
221.15424	5.8
221.19023	79.9
239.08908	19.3
239.12672	3.8
239.16315	2.6
239.17883	3.5
239.20071	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	240.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	3.6
55.01861	3.5
55.05515	7.9
56.05029	2.6
57.03445	6.3
57.07080	6.8
63.85917	1.2
67.05507	21.9
68.04735	1.4
68.05031	17.3
69.07066	5.2
70.06609	7.5
71.04987	1.8
71.19681	2.1
72.04507	4.9
72.08157	1.7
73.17030	1.4
73.50595	1.2
74.59006	1.2
79.05509	1.8
80.05014	7.8
81.07051	2.8
82.02935	5.3
82.06570	4.0
84.04511	18.0
84.08132	3.5
85.06549	10.0
91.05481	1.4
93.05773	1.4
93.07027	2.0
94.06561	4.2
95.04965	4.8
95.08579	2.8
96.04489	23.1
98.06004	1.6
100.03384	2.5
100.03986	30.7
107.07318	1.9
108.08116	20.2
110.09692	42.1
111.33477	1.3
112.03997	6.5
113.05997	12.2
117.81732	1.1
120.08131	7.5
122.09675	33.8
126.09144	7.0
128.03452	18.2
136.07579	2.1
137.60515	1.3
138.09148	94.5
140.03432	18.2
140.10696	5.9
148.07535	1.9
150.09145	42.0
154.08638	100.0
166.08646	31.5
168.10214	35.6
168.11681	1.5
182.08133	23.8
184.09712	21.2
194.08128	27.0
196.09691	7.2
212.09216	33.8
222.07597	1.5
240.08662	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85893	1.1
55.05511	8.6
56.58499	1.3
57.03439	5.2
57.07063	3.6
62.05798	1.8
62.06099	33.5
65.03948	2.4
67.05514	41.4
69.03438	1.4
69.07076	7.7
69.17661	13.6
70.06593	1.2
71.04993	4.4
72.04515	2.0
79.05501	23.4
81.03420	3.2
81.07067	37.7
83.04993	3.2
83.08617	1.8
85.06537	1.3
87.74941	1.1
91.05495	11.2
93.07057	20.8
93.80285	1.1
95.04963	8.8
95.08619	73.3
97.06518	2.8
97.35528	1.2
98.09666	2.0
98.97639	1.6
105.07045	14.4
107.08611	20.8
109.06524	3.3
109.10168	40.1
119.08598	21.5
120.08086	2.0
121.10178	6.4
123.08062	5.2
123.11747	1.9
125.36238	1.3
133.10133	5.3
135.11688	7.8
137.09669	9.9
137.10652	1.9
137.13271	2.4
142.12320	12.0
149.13290	11.0
151.14839	17.7
161.13286	10.5
163.07513	4.1
170.11755	4.2
179.14311	16.5
196.16968	1.7
222.18506	3.8
222.22275	2.1
240.06827	1.8
240.09175	2.0
240.19615	100.0
240.23474	2.9
241.04875	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05020	0.3
56.24416	0.2
57.07071	0.2
58.87518	0.2
67.05486	0.7
68.05019	0.2
69.03416	0.2
69.07066	0.5
70.06586	0.6
71.52378	0.2
72.04525	1.0
72.08128	0.2
74.06061	0.6
79.05499	1.0
80.05045	0.3
81.07063	1.7
82.06564	0.6
83.04943	0.2
83.08620	0.3
84.08129	0.6
86.09720	0.4
88.07614	0.3
91.05470	0.2
93.07063	1.7
94.06557	0.6
95.05029	0.2
95.08613	1.1
96.08129	0.6
97.02890	0.2
98.06033	0.3
98.97559	0.4
100.07612	0.3
105.07012	0.3
105.13443	0.2
106.06532	0.2
107.08615	0.9
108.08131	1.0
109.08916	0.3
109.10133	0.3
110.09660	0.5
110.97508	0.2
112.07607	0.6
114.09161	0.4
120.03829	0.2
120.08134	0.9
120.08836	0.2
121.10140	0.3
122.09666	1.3
123.10432	0.4
123.11757	0.2
124.06715	0.3
124.07591	4.9
124.11265	0.3
126.09153	0.5
128.10725	0.5
129.10269	0.4
133.10110	0.4
135.11697	0.8
136.11206	1.7
137.13240	0.6
138.09137	0.9
139.09900	0.8
140.10672	0.7
142.12270	1.5
147.04448	0.2
148.07556	0.4
148.11270	0.2
149.12027	0.3
150.12790	1.6
151.13597	1.1
152.07095	0.2
152.10716	1.9
152.14304	0.4
153.11453	0.9
154.12279	2.3
161.09631	0.2
166.12271	3.9
166.15865	0.2
167.13083	2.3
168.13872	1.2
170.08162	0.3
176.07106	0.3
178.15933	0.5
180.13881	0.2
194.08118	0.2
194.11716	0.3
194.15396	2.5
196.16972	100.0
197.17377	0.5
198.18552	1.3
199.06198	0.4
208.06802	0.5
240.16081	4.6
240.19588	64.9
241.20021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1072
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03933	0.5
55.01866	0.6
55.05497	0.7
57.07036	0.4
67.05505	0.7
69.03429	0.9
69.07064	0.8
69.85387	1.3
69.85796	0.6
71.04980	0.5
72.08154	0.4
73.02921	0.7
79.05478	1.8
81.07039	1.2
83.04979	0.7
83.08587	0.5
84.04505	0.5
84.08129	1.7
85.06550	0.5
86.09693	0.5
89.03941	0.5
91.05478	3.3
93.03407	0.8
93.07055	1.1
95.04972	1.2
95.08592	0.6
97.02885	1.1
98.97567	1.1
99.04462	0.7
101.02398	1.0
103.05461	1.2
105.07016	1.1
107.04982	2.3
107.08586	0.9
108.05707	0.7
109.06525	1.5
109.10202	1.0
111.05586	0.4
112.20189	0.4
116.98600	0.4
117.07027	0.5
118.04209	0.4
119.04962	0.5
119.08581	0.6
120.05763	0.8
120.08074	0.5
121.02872	0.9
121.06503	5.0
121.10120	0.8
122.07249	0.5
123.04420	1.2
123.08112	0.8
123.11690	1.1
124.07497	0.4
125.06015	0.7
128.07092	0.6
129.10223	0.5
131.04958	0.5
133.06465	1.4
135.04436	1.3
135.08041	1.8
136.05223	2.2
137.05975	5.2
137.09631	0.6
138.06729	2.6
139.03882	1.2
139.07518	0.8
145.02846	0.4
147.04430	1.0
148.05194	17.2
149.02373	3.3
149.05992	6.9
149.09625	0.4
150.06729	1.0
151.03905	1.9
151.07539	4.3
153.01830	0.4
153.09134	0.6
154.06264	5.3
159.11713	0.6
161.05989	0.7
162.06767	1.6
163.03925	1.4
163.07553	2.6
164.08345	6.3
165.05472	4.4
165.09123	1.6
166.06250	3.9
167.03415	4.5
167.07031	1.8
169.08601	2.6
176.04651	0.4
176.96973	0.5
177.05479	15.7
177.12772	0.5
179.06995	2.6
180.07813	3.8
181.08600	100.0
190.06273	1.9
191.07008	3.5
192.07819	51.6
193.04953	1.5
193.08591	1.3
195.02931	3.5
195.08569	0.7
195.10187	6.5
196.07388	0.5
205.12227	0.6
208.07314	2.6
209.05971	0.6
223.02396	6.0
223.09657	26.1
223.13229	1.2
226.08376	0.8
241.08546	0.5
241.10635	9.1
241.14513	0.6
241.15417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03940	1.2
55.01862	1.5
55.05500	1.8
60.88200	0.6
67.05507	1.3
69.03442	0.9
69.07059	1.5
69.74899	1.3
69.75300	2.4
70.06586	2.8
71.04974	1.0
73.02892	0.9
77.03913	0.7
79.05496	2.3
81.03385	0.7
81.07075	1.1
84.04509	0.9
84.08138	3.1
85.02908	1.6
85.06540	0.8
88.86555	0.6
91.05465	5.5
93.07045	2.3
95.04967	1.9
95.08611	1.4
97.06557	0.7
98.97537	1.2
99.04438	1.9
99.84969	0.8
103.05469	2.3
105.03394	1.1
105.07026	3.5
107.04922	2.4
107.08586	1.1
109.06512	2.5
109.10176	3.6
110.07185	0.8
116.98597	0.8
118.04163	1.1
119.04917	1.3
119.08556	0.9
120.05721	1.4
120.08093	1.2
121.06502	7.2
121.10161	1.1
122.07301	1.0
123.04444	1.3
123.08084	1.1
125.05949	1.5
129.10248	2.2
131.04955	1.9
133.02815	1.0
133.06494	1.8
134.07301	0.9
135.04430	1.6
135.08057	3.2
135.11714	1.0
136.05173	2.3
136.08595	0.8
136.77806	0.7
137.05968	5.9
137.09630	3.2
137.53673	0.6
138.06714	2.3
139.07483	1.0
145.02919	0.8
147.04393	1.8
148.05188	15.3
149.05971	12.6
149.09587	0.6
150.06752	1.8
151.03888	2.2
151.07559	5.1
154.06268	5.6
159.11661	0.8
160.05296	1.0
161.05978	2.5
162.06769	2.1
163.03903	0.8
163.07587	5.7
163.11180	0.9
164.08344	7.6
165.05469	9.0
165.09108	5.8
166.06227	4.0
167.07051	5.7
169.08603	2.4
177.05476	40.4
179.07004	6.7
180.07813	8.0
181.08600	90.5
190.06247	4.4
191.07079	7.3
192.07819	100.0
193.04900	3.4
193.08539	3.2
195.08542	1.3
195.10167	9.8
205.08777	0.9
208.07274	5.0
211.09654	1.1
223.09673	45.1
223.13304	2.3
241.04892	1.3
241.10715	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	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.09770	0.3
58.06601	12.3
60.08153	1.1
70.06612	2.4
71.51310	0.3
72.08166	0.4
81.03413	0.4
84.08147	8.6
85.02916	0.5
85.35837	0.3
93.29063	0.3
97.02930	0.3
98.09680	1.0
100.11236	0.4
104.10751	27.6
116.07095	0.5
118.03658	0.3
126.09204	0.4
128.10719	3.3
139.91499	0.4
144.10175	0.8
158.08179	0.3
168.10197	0.6
178.95094	0.5
196.09688	5.0
204.68649	0.3
213.15981	0.4
219.07718	0.3
240.98820	0.4
241.15483	100.0
242.15742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.9
55.13336	1.1
56.94303	1.3
57.03433	12.7
58.06590	4.6
59.05012	1.5
59.06934	2.3
61.02919	1.6
61.40807	1.2
71.01358	6.7
71.05011	1.9
71.51428	1.9
72.93773	1.8
73.02917	8.3
79.58566	1.2
83.01321	2.2
84.08150	2.7
85.02909	5.2
87.04485	10.1
89.02390	7.3
97.74056	1.2
101.02390	19.6
103.03952	3.4
105.01899	1.2
110.07187	1.5
111.00816	1.7
113.96419	2.4
115.03937	38.1
119.03425	2.2
123.04454	1.9
129.01851	29.7
133.04990	7.1
143.03401	18.1
147.02859	1.8
157.01332	36.2
159.02904	2.2
161.04453	24.8
171.02869	5.6
175.02359	2.1
189.03949	100.0
196.06061	1.4
196.09650	2.8
197.10043	1.6
207.05042	7.3
224.07674	3.7
227.96059	1.4
242.10271	3.7
242.15828	45.3
259.14847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05519	3.3
56.05042	2.9
57.03437	5.8
57.07072	3.4
58.06603	0.6
61.01139	1.2
65.03935	1.9
67.05509	25.9
68.05024	0.5
69.03436	2.8
69.07073	3.9
69.41844	2.8
70.06596	2.8
71.04989	5.1
72.08150	1.8
73.02927	0.7
74.02428	1.2
74.06084	3.3
78.03787	3.1
79.05467	0.7
80.05025	0.8
81.03389	0.5
81.07052	1.2
82.06575	1.1
83.06109	1.8
84.04512	8.5
84.08149	24.5
85.02909	25.2
85.06541	3.6
85.08472	0.9
86.09714	3.7
87.04461	1.5
90.94819	0.5
91.05498	0.9
93.07047	0.7
94.06540	1.0
95.01347	2.1
95.04975	24.8
95.08569	0.9
96.04472	1.2
96.08116	1.1
97.02889	0.9
98.09701	2.2
102.05547	3.5
102.09219	2.9
105.07062	0.5
106.06548	1.4
108.08125	1.6
110.06068	2.5
110.07169	1.3
110.09671	0.8
112.03989	0.7
112.07613	4.0
113.02392	0.7
113.06013	30.6
115.03914	0.6
116.54398	0.4
119.01909	1.6
119.04939	0.6
121.08898	1.3
122.09672	2.0
123.04440	11.3
123.05342	0.9
123.08081	1.1
124.07624	2.9
129.10225	1.3
130.05009	28.7
130.08647	6.2
131.03365	1.0
132.08124	1.6
133.06503	0.4
134.09660	0.9
135.07932	0.6
138.09158	2.6
140.10701	0.5
142.05029	1.8
147.04472	0.5
150.09148	5.9
151.07539	0.5
152.06989	0.7
154.08656	0.8
156.10248	1.0
160.07565	1.0
161.04649	0.5
164.10742	0.8
165.05511	4.3
168.10237	3.7
169.08656	1.1
178.08617	1.7
181.03450	0.5
181.13310	0.8
184.09700	4.4
189.04097	0.5
190.09732	0.7
196.09708	64.3
197.09985	0.5
198.11264	22.0
208.12004	0.4
214.10832	2.7
219.03580	1.1
224.09326	2.4
224.12802	0.5
242.10248	100.0
242.13660	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	242.9673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39768	0.7
60.08150	3.1
67.94495	0.7
69.63673	1.3
69.64077	2.8
69.64498	0.6
69.82300	0.7
86.50127	0.7
94.93020	7.6
104.10752	100.0
114.71860	0.6
114.89352	0.9
133.35616	0.6
134.92470	0.7
136.94002	1.2
141.91278	2.1
170.16423	0.7
176.93532	14.7
184.62279	0.8
206.94542	3.9
224.95599	5.5
242.96716	14.9
249.37453	0.7
252.17763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0655
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
52.16869	0.2
53.03953	0.3
55.01875	1.0
55.05494	0.2
56.96581	0.3
57.03423	0.4
65.03933	2.2
67.05500	0.6
68.99793	4.1
69.03444	0.3
69.07063	0.3
70.06593	1.9
71.04998	0.3
71.52129	0.2
79.05492	0.5
81.03424	0.5
81.07051	0.8
84.04486	0.3
84.08160	0.5
85.02922	0.3
86.09709	0.6
91.05486	1.8
91.79141	0.2
93.07054	0.4
95.01334	0.3
95.04983	0.7
95.08588	0.4
97.02900	0.3
97.06490	0.5
98.97593	0.9
99.04454	0.5
103.05459	0.6
105.07030	2.9
107.04224	0.3
107.04955	5.7
107.08600	0.4
111.04447	0.4
115.05471	0.7
117.07020	0.7
118.34169	0.2
119.04933	1.5
119.05648	0.2
119.08602	0.7
121.02874	15.8
121.06493	0.4
121.10160	0.3
123.04435	0.4
123.08054	0.4
125.06079	0.2
128.06244	0.3
129.06976	0.6
129.96872	0.2
130.08649	0.4
131.04913	1.1
131.08577	1.3
133.02827	0.3
137.09613	0.3
141.06998	5.9
144.05696	1.0
145.06487	1.9
147.04419	3.3
147.08069	2.9
147.11662	0.4
149.02347	100.0
150.02773	0.3
151.03859	0.3
153.07004	0.3
155.06027	0.5
155.08545	0.6
157.06531	0.4
158.99649	0.3
159.08064	1.7
165.05663	0.4
165.07001	1.7
167.03456	1.5
168.05740	0.3
169.06493	8.5
169.07579	0.4
171.61740	0.3
172.08713	0.7
173.06013	1.4
174.88260	0.2
176.96935	0.3
181.08603	0.4
183.06519	0.7
183.08076	1.8
185.05954	0.8
186.02194	0.2
187.07561	2.3
193.07622	0.3
197.05981	10.5
198.06709	0.4
198.11244	0.6
200.04610	0.4
207.13843	0.4
211.07562	2.0
213.05527	0.6
215.07031	97.2
216.07498	0.5
219.01776	0.8
222.08424	0.3
225.14946	0.3
237.02832	0.4
243.06534	77.2
244.06888	0.5
260.37479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.123
Annotation	7-O-Ethylguaiacylglycerol
Peak:m/z	Relative Intensity
56.96552	0.4
65.23245	0.2
66.31075	0.2
69.94180	1.1
70.06576	0.7
78.04692	0.2
79.05471	0.4
82.24257	0.2
84.65304	0.2
84.83677	0.2
91.05462	1.6
93.07040	0.2
95.04953	0.5
98.97571	1.0
105.03387	0.3
105.07005	0.5
106.04184	0.6
107.04949	1.1
108.05743	0.3
109.06512	0.6
116.98611	0.4
120.05700	0.7
121.06508	0.9
123.04425	0.9
123.08050	0.3
133.06499	0.3
133.39424	0.2
135.04385	0.3
135.08032	0.2
136.05190	0.9
137.05997	3.4
138.06747	1.7
148.05200	11.6
149.06039	1.1
151.03922	1.2
151.07550	0.7
161.05965	0.2
163.07547	0.7
164.08359	1.8
165.05566	1.1
165.06784	0.3
165.09140	0.4
166.06282	1.7
167.07051	0.5
176.08342	1.0
177.05544	0.3
179.06999	0.6
180.07799	1.9
181.08603	100.0
182.09094	0.7
189.12907	0.2
195.10193	6.6
207.10168	4.5
222.06483	1.0
222.56638	0.4
224.76674	0.3
225.11232	2.5
231.06978	1.3
236.51338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.9
57.03426	0.3
58.17826	0.2
66.09617	0.2
67.05484	0.3
69.03431	0.3
69.07057	0.2
69.27188	0.2
70.06599	6.9
71.04995	0.3
71.15836	0.4
78.04701	0.4
79.05484	0.7
80.30719	0.2
81.07072	0.6
83.04981	0.2
84.08160	0.3
85.02895	0.3
86.09715	0.7
88.92091	0.2
89.32639	0.2
91.05469	1.4
95.04963	0.7
97.02925	0.3
97.06519	0.3
98.97601	1.9
105.07027	0.5
106.04188	0.3
107.04955	0.7
108.05702	0.3
109.06517	0.6
109.10180	0.2
110.07235	0.3
110.32925	0.2
114.09182	0.4
116.98615	0.4
118.82932	0.2
119.04949	0.7
119.08570	0.3
120.05685	0.3
121.06530	1.0
123.04472	1.0
128.98598	0.2
133.02829	0.3
135.04462	0.4
135.08076	0.3
135.11736	0.2
136.05179	0.7
137.05991	3.0
138.06776	1.9
141.11450	0.3
148.05203	12.7
148.95653	0.2
149.06032	1.3
150.06749	0.3
151.03915	1.5
151.07593	0.7
153.06969	0.3
154.06277	0.3
155.08504	0.3
158.99603	0.5
161.05946	0.2
163.07542	0.4
164.08325	2.1
165.05467	1.4
165.07011	1.0
165.09093	0.5
166.06273	2.0
171.04910	0.3
176.08321	1.2
177.00606	0.2
179.06981	0.4
180.07831	1.5
181.08603	100.0
182.09041	0.7
183.08051	0.6
192.07794	0.3
195.10181	5.6
207.10168	4.6
211.07556	0.7
222.06537	0.5
225.11189	2.2
231.07039	1.4
231.57211	0.3
238.64363	0.3
238.67088	0.2
243.06448	0.3
243.10086	0.2
243.12181	0.3
243.17101	1.5
259.13263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39207	1.9
69.39629	0.4
82.99844	0.9
101.00885	7.9
102.00973	2.6
103.00644	0.3
119.01934	21.1
120.02024	4.0
121.01687	0.7
123.97910	0.3
124.02482	0.4
135.99971	0.5
137.02977	4.1
138.03064	0.5
138.11787	0.4
141.98967	0.7
142.03499	3.1
143.01895	1.2
145.03482	0.4
155.01913	0.3
157.03574	0.4
158.99974	0.5
159.99998	2.8
160.04581	0.8
161.02953	7.0
161.65665	0.3
173.03148	0.3
177.00972	2.9
178.01057	16.0
179.00734	2.1
179.04025	8.3
179.05600	0.6
184.00107	1.1
184.04585	1.0
185.03011	0.8
194.04236	0.3
196.48155	0.3
202.01050	2.8
202.02692	0.5
202.05630	1.0
203.04059	1.0
211.33116	0.3
217.04053	0.3
218.04251	3.1
219.02032	2.2
220.02141	21.5
220.94257	1.8
221.01797	7.1
221.05109	0.8
226.00917	1.8
235.00882	0.4
238.95259	0.6
238.98352	1.3
239.02022	0.4
243.95952	1.8
244.02100	11.8
245.01918	0.4
245.05145	0.5
262.03210	100.0
263.02927	5.0
264.03687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88943	2.2
68.05051	3.0
68.84400	2.7
69.87594	9.8
69.87998	4.3
70.06599	100.0
80.84418	2.8
84.04516	15.9
88.84090	3.2
90.57459	2.9
98.21518	3.6
104.10751	22.9
105.70167	2.9
112.05118	3.8
113.05484	3.7
116.07054	14.8
119.01977	3.3
124.07590	6.4
130.04997	4.9
184.09593	3.4
201.12413	4.6
219.77745	2.6
225.02843	2.6
227.10254	7.8
245.00592	4.7
245.11343	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	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88329	21.0
70.02950	8.5
70.06608	32.6
84.04527	22.1
84.08139	10.8
85.02862	3.8
96.00827	5.2
98.21494	7.1
101.00890	8.8
104.10746	21.5
112.05109	6.2
113.02741	6.1
113.03501	100.0
113.05445	8.2
116.07085	16.1
119.01934	6.3
121.11218	3.7
131.83125	4.4
134.05170	4.2
143.01883	7.3
145.03429	4.6
161.03011	6.2
173.03064	4.5
193.86406	4.3
227.10165	8.4
245.00635	5.7
245.05099	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08429	0.3
58.47319	0.3
58.99850	0.3
60.14592	0.3
63.93182	0.3
65.03596	0.2
68.98289	0.6
69.03417	0.7
69.68631	0.7
69.69037	1.2
70.81403	0.3
72.93798	1.4
79.05505	0.3
81.03399	0.3
82.99802	1.4
84.08139	0.4
86.99321	0.8
90.94823	1.1
97.02882	0.9
98.21442	0.3
99.04463	0.8
101.00888	14.1
102.00970	1.4
103.00662	2.6
103.02435	0.7
105.00342	0.5
109.02892	0.3
113.00868	2.5
113.96422	0.4
115.02434	1.4
118.98524	0.3
119.01927	25.7
120.02001	3.4
121.01675	5.3
121.02471	0.5
121.03467	0.3
127.02406	1.2
127.03915	1.1
129.00319	0.9
129.04016	0.6
131.01918	5.2
131.05533	1.3
133.03470	2.3
136.99646	0.7
137.02969	3.2
138.03030	0.6
139.02547	1.5
142.03494	0.7
142.98589	0.9
143.01906	13.9
143.03625	0.5
145.03465	4.0
147.01379	1.5
147.05020	0.8
149.02985	0.3
149.06549	0.5
149.96129	1.4
155.01903	3.6
157.03479	9.5
159.08748	0.4
160.99644	3.2
161.02968	32.0
162.03064	1.0
163.04549	0.6
167.01891	2.1
167.97116	0.7
167.99486	0.4
169.03455	0.8
171.05014	0.8
172.97714	1.6
173.02965	6.7
175.04538	6.8
177.00923	1.1
177.02487	0.4
177.09729	1.5
178.01009	0.5
179.00706	19.2
179.03960	1.7
180.04175	1.2
181.03505	0.4
184.04585	0.7
184.99648	0.9
185.02969	17.2
187.04503	2.3
189.06042	0.8
190.98776	0.5
191.04031	1.9
197.03021	2.5
199.00934	0.7
199.04591	1.4
203.00923	2.7
203.04016	17.1
203.11339	0.9
205.05682	0.3
209.03052	0.3
215.04007	3.5
215.05890	0.5
217.01796	0.4
217.05577	0.7
219.01953	1.3
219.03917	2.9
220.01920	0.4
221.01784	24.3
221.04817	2.1
222.02110	1.5
226.05705	0.3
227.00566	2.0
227.04025	3.8
233.05087	2.3
244.03464	0.3
245.01839	12.0
245.05067	28.2
245.12247	4.1
261.03101	0.6
263.02887	100.0
264.03024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.081
Annotation	Piceatannol
Peak:m/z	Relative Intensity
53.03952	1.2
55.01876	2.6
55.05523	1.1
55.93534	0.9
56.05058	0.6
58.99596	0.4
65.03945	1.2
67.05518	1.6
68.05030	0.5
69.03430	0.5
69.07082	1.0
70.06596	2.4
71.01364	0.7
71.05007	0.5
71.51928	0.4
72.08144	2.3
72.93789	2.8
77.03945	0.5
79.05502	3.9
81.03424	4.1
81.07075	1.6
83.68274	0.3
84.04517	3.5
84.08141	4.3
85.02930	0.5
85.08476	0.5
86.09717	4.9
87.04457	0.7
87.10020	0.7
89.03900	2.2
90.94846	2.3
91.05466	2.0
93.03405	1.1
93.07076	0.4
94.31508	0.4
95.04982	1.7
95.08619	0.8
97.06548	0.6
97.32014	0.3
98.97610	1.3
99.02712	0.6
100.97160	0.4
102.05554	0.5
105.03371	0.5
105.07038	1.1
107.04961	46.1
108.05827	0.4
109.02894	9.2
109.06545	0.4
110.03662	1.2
111.04440	3.1
111.05579	0.9
113.03504	0.8
113.05972	0.5
113.96421	0.9
114.03781	0.5
115.03953	0.5
115.05370	0.5
117.03403	2.1
117.07025	0.5
119.04938	0.7
121.02853	1.0
122.06006	0.8
123.04436	8.2
123.08042	0.6
124.07602	1.5
127.04008	0.5
127.07519	0.6
128.06265	2.3
129.07021	2.5
129.10251	2.5
130.04988	0.8
131.08592	0.6
131.97444	0.5
133.02888	0.8
133.10136	0.8
134.03653	2.1
135.04422	100.0
136.05202	20.9
137.02364	0.9
137.05989	3.6
139.03912	2.4
142.03238	2.3
142.06857	0.5
142.08621	0.5
143.04933	0.8
143.08626	1.9
144.41956	0.4
145.03946	1.3
145.10132	0.5
147.04362	0.8
147.11259	0.4
149.02350	0.9
149.96109	3.5
152.06204	7.2
153.07002	46.8
157.06497	2.5
158.99698	0.4
160.05156	0.6
161.05962	0.9
164.10765	0.5
167.97173	2.6
169.06476	0.7
170.02730	0.6
171.08047	2.6
172.97760	2.1
175.07497	0.5
181.06485	52.3
184.05159	1.0
185.05934	0.5
190.98703	1.1
197.05972	0.5
198.06700	0.4
199.07549	33.7
209.05948	9.7
210.06798	0.5
217.08589	1.6
222.09979	0.4
227.07042	17.0
245.04446	3.4
245.08076	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01873	0.4
55.05510	2.5
55.93523	0.9
56.05034	0.6
57.03432	0.4
67.05499	0.5
68.05032	1.9
69.03427	0.4
69.07065	0.7
70.06602	2.4
70.18892	0.7
70.19305	0.9
71.04978	0.3
72.08162	2.4
72.93465	0.3
72.93793	3.6
76.02218	1.3
79.05498	3.7
80.05017	0.9
81.03429	0.4
81.05795	3.0
81.07063	3.8
82.06570	0.6
84.04507	18.7
84.08142	3.0
85.02895	2.4
85.08472	0.4
86.06062	1.0
86.09712	2.6
87.04462	0.4
89.94041	0.6
90.94828	3.6
91.05495	0.4
94.06574	1.7
95.04976	0.3
95.08622	0.4
96.04482	2.9
96.08132	16.3
97.02899	0.5
97.06516	0.6
98.06130	0.2
98.06862	0.6
100.11260	0.4
100.84032	0.3
101.00880	0.7
101.07153	0.7
102.05546	1.6
106.06561	2.7
107.04965	0.9
108.95860	0.5
109.02880	0.4
110.09681	3.0
113.03489	1.1
113.96403	1.2
114.03806	0.4
114.05537	7.9
116.01699	0.3
116.07107	0.3
116.98605	0.3
119.01938	1.2
122.02715	1.3
122.06026	0.4
124.07592	100.0
125.07919	0.6
129.10246	0.5
130.05006	21.1
130.08630	0.5
131.97432	0.5
135.04454	0.7
138.09126	4.4
142.03333	1.9
142.04997	9.5
143.01910	0.4
147.11267	0.4
149.96112	4.7
155.11819	2.0
156.04781	13.5
156.10231	1.0
157.03534	0.3
158.06400	0.5
161.02997	1.0
167.97150	3.6
170.02710	0.7
172.97716	4.7
173.02963	0.4
181.13402	0.4
182.11792	1.0
184.09691	21.5
185.02991	0.9
185.15152	0.3
190.98822	1.4
199.09027	8.0
201.12340	32.9
202.10791	1.2
203.04031	0.5
216.00836	0.3
220.32130	0.3
227.13927	0.6
228.06857	1.5
228.12187	0.4
245.05360	2.3
245.09581	12.3
245.11435	0.5
245.14890	2.3
245.18932	0.4
263.06140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01893	0.2
55.05512	9.4
57.03436	0.4
59.05011	0.3
61.02919	0.8
68.99797	0.2
69.03434	5.5
69.07064	1.6
70.06593	0.8
71.01378	0.2
71.04998	0.4
71.08509	0.3
71.08852	0.4
72.08159	0.9
72.93778	0.5
79.05488	0.3
81.03415	1.9
81.07074	0.8
82.06576	0.3
83.04984	100.0
84.04535	0.3
84.08149	3.8
85.02903	2.1
86.06085	0.4
86.09706	11.5
87.10028	0.4
90.94828	0.5
91.05454	0.2
93.07080	0.3
95.08621	0.4
97.02897	3.6
99.04448	0.5
101.06015	3.8
107.04969	1.7
109.02893	1.5
110.07117	0.2
111.04447	0.4
123.04443	0.4
123.08068	0.3
124.07633	0.2
125.09644	0.2
127.03918	2.7
128.06201	0.2
129.10252	1.9
130.08696	0.3
135.04428	3.3
136.05191	0.7
142.03235	0.5
145.05026	0.3
147.04341	0.3
147.11334	0.6
149.96126	0.5
152.06113	0.3
153.07014	1.5
159.09259	0.2
161.06068	0.3
167.97218	0.5
170.11919	0.2
171.04480	0.2
171.08018	0.3
171.95294	0.2
172.97786	0.5
181.06487	2.1
192.11575	0.2
199.07492	1.2
203.06978	0.2
209.06038	0.3
209.09413	0.4
226.11961	0.6
227.07050	0.7
227.09216	1.7
236.01416	0.2
244.13115	0.3
245.04453	3.7
245.08018	1.4
245.10283	1.3
245.18646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.41317	0.2
55.05508	0.3
64.93505	0.2
68.05032	0.4
68.48904	0.2
69.07056	0.5
69.34138	1.6
70.06592	0.7
72.08154	0.3
72.93800	0.7
79.05527	0.3
80.05025	1.7
84.04498	0.5
84.08144	0.9
86.09710	100.0
90.94842	0.8
91.05466	0.3
108.04476	0.3
114.03772	1.5
115.03909	0.3
116.01708	0.4
117.78865	0.2
120.32199	0.2
129.10257	0.5
132.10204	3.6
142.03227	10.3
149.96107	0.9
167.97185	0.5
170.02707	2.3
172.97719	0.7
181.06416	0.2
199.05420	0.5
199.18027	2.1
206.79582	0.2
227.04778	0.5
227.10507	0.2
245.03868	0.3
245.05899	0.8
245.08150	0.5
245.13339	0.8
245.18604	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.98812	0.2
55.01876	0.2
55.05518	0.3
56.05037	0.4
56.96595	0.3
57.05816	0.3
58.99570	0.2
67.05510	0.4
68.05058	0.2
69.07072	9.7
70.06585	0.9
70.25473	0.7
71.04979	0.3
72.08161	0.5
72.93784	0.5
73.77686	0.2
75.30979	0.2
79.05478	0.3
80.05023	1.1
81.07068	0.5
83.04967	0.2
84.04502	0.9
84.08145	1.2
85.02913	0.3
86.09708	100.0
87.10042	0.4
90.94823	0.3
91.05483	0.8
95.08600	0.8
96.04541	0.3
98.06087	0.3
98.97586	0.3
105.07037	0.3
108.04550	0.3
113.03497	0.3
113.09631	0.3
114.03754	0.8
115.03957	0.3
116.01680	0.2
116.98611	0.2
121.08546	0.2
123.08045	0.4
125.09651	0.2
129.10257	0.5
130.06560	0.3
132.10196	2.0
135.11656	0.2
142.03227	5.7
145.10378	0.2
149.96112	0.5
167.97147	0.4
168.06494	0.3
170.02711	1.4
171.04526	0.2
172.97659	0.5
190.26543	0.2
190.98677	0.3
199.05513	0.2
199.18079	0.7
203.54343	0.2
214.05273	0.3
227.05034	0.2
227.17819	0.2
245.04437	0.7
245.08206	0.4
245.11446	0.3
245.13487	0.5
245.16005	0.3
245.18614	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	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05508	1.4
56.05026	0.5
56.96577	0.3
57.03432	0.3
57.26096	0.2
58.06601	0.3
68.05022	0.8
69.34058	0.3
70.02976	0.3
70.06599	15.3
71.51411	0.3
71.51875	0.3
72.08163	2.2
72.93802	0.4
73.02918	0.6
74.02438	0.5
74.06055	0.6
81.07043	0.7
84.04049	0.5
84.04510	6.3
84.08152	1.4
85.02908	1.3
86.09702	1.6
88.03986	0.7
90.94811	0.3
95.01310	0.5
96.04488	0.7
96.08133	0.6
97.46494	0.3
100.03983	0.4
100.07604	0.9
100.11261	1.0
101.11581	1.0
102.04929	0.3
102.05547	1.1
104.07117	0.4
110.02402	0.4
110.05996	0.3
110.09703	2.6
114.05529	3.5
116.07095	0.6
124.07600	0.6
124.11237	15.5
127.03903	0.3
128.03406	0.9
128.07091	0.6
129.10252	0.9
130.05008	3.1
130.08661	0.6
130.20952	0.3
132.10173	0.6
138.05493	0.3
138.09137	2.1
142.05003	3.5
142.12285	0.9
147.11346	0.4
156.10216	3.7
170.11772	100.0
171.12126	0.3
174.03993	2.9
174.09146	0.3
182.08208	0.3
184.09712	2.8
185.10033	0.4
200.09200	0.4
201.12346	0.6
202.10767	19.4
202.12529	1.1
210.16928	0.3
214.14403	3.8
228.04898	0.4
246.13304	0.5
246.18996	1.3
246.24417	0.6
247.06110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05507	0.7
57.02522	0.2
62.45620	0.2
67.05496	0.2
69.07038	0.3
70.06597	15.1
70.41446	0.7
71.04970	0.4
72.08143	0.6
72.93817	0.3
73.02922	0.3
74.02414	0.4
81.07040	0.5
84.04490	0.7
84.08144	1.2
85.02928	0.2
86.03487	0.2
86.09695	0.3
89.41856	0.2
90.94858	0.4
95.01277	0.2
96.08154	0.7
97.02875	0.2
98.97533	0.2
100.07610	0.7
110.06075	0.3
111.04430	0.2
114.05531	0.7
118.08860	0.2
121.06503	0.3
124.07582	0.6
124.11234	13.3
126.12794	0.3
127.42583	0.2
128.03432	0.6
128.07092	0.6
139.03891	0.7
140.04272	0.4
142.12277	0.9
150.96292	0.3
168.97398	0.3
170.11769	100.0
170.93449	0.2
174.04005	1.7
184.33147	0.2
200.05522	0.6
200.07251	0.4
214.14378	2.1
228.12335	0.2
246.06129	0.3
246.18312	0.7
246.24263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0602
Annotation	hispidin
Peak:m/z	Relative Intensity
55.01879	2.3
55.05491	0.3
60.08158	0.3
65.36599	0.2
67.05509	0.6
68.99443	0.5
68.99794	6.4
69.03426	0.3
69.74147	0.2
70.38029	0.7
71.01342	0.3
72.08157	0.5
79.05484	0.7
81.07056	0.7
85.02883	0.6
91.05476	1.5
95.04919	0.3
95.08604	0.4
97.02900	0.3
98.98463	0.4
101.94096	0.2
103.05468	0.7
105.07056	1.3
107.04963	2.8
107.08584	0.3
109.02888	0.5
111.00805	6.8
111.04418	0.4
115.05455	1.1
116.73742	0.3
117.03394	0.5
117.07038	1.4
119.04896	0.5
119.08553	0.3
119.80588	0.3
120.08112	0.4
121.02827	0.4
121.06503	0.3
121.61523	0.2
123.04425	1.1
123.34549	0.3
127.03896	0.5
128.06186	0.6
129.07050	0.5
130.06544	0.5
131.04933	1.8
131.08479	0.3
133.06474	0.8
135.04411	2.6
135.08047	0.3
137.02345	1.7
137.05992	0.6
139.03917	0.3
143.04929	0.5
145.02849	0.5
145.06496	3.2
147.04445	0.3
149.02278	0.4
149.06012	0.7
150.03140	0.3
151.03860	0.4
151.07501	0.3
153.01871	0.8
153.05357	0.3
155.04926	3.7
155.06068	0.7
157.10506	0.3
159.04474	0.9
160.00043	0.3
161.05974	1.3
163.03896	6.0
166.66626	0.3
173.06010	5.1
175.11490	0.2
176.04652	0.3
177.05457	1.3
183.04425	3.3
184.05040	0.3
187.03874	2.1
191.07019	1.5
200.04601	0.4
201.05464	11.2
201.12700	0.6
205.05084	0.5
219.06462	1.5
228.04286	0.3
229.04974	16.9
245.04488	0.4
247.06027	100.0
247.17122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
50.39660	0.5
66.23306	0.6
69.89685	1.9
113.64381	0.6
128.06186	0.8
129.06984	0.9
130.07735	1.3
141.06909	1.8
142.07639	0.7
143.08505	1.3
155.08499	0.8
158.07280	6.3
159.08035	1.3
169.06441	3.7
170.07214	3.7
171.04385	2.1
171.08028	1.0
173.09677	3.4
174.06741	1.0
183.08012	1.2
186.06783	6.7
187.07516	1.3
190.06253	4.6
197.05922	1.3
198.06779	9.0
199.03879	1.1
201.09109	49.0
204.07779	0.9
205.08611	21.9
207.25490	0.8
214.06262	25.7
229.08606	100.0
247.09677	84.1
248.10112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0969
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
67.08118	0.2
67.10680	0.2
69.03410	0.2
70.77835	0.6
78.39008	0.2
79.05479	0.3
81.07047	0.2
88.64729	0.2
91.05471	0.9
95.05012	0.3
105.07006	0.5
107.08615	0.4
109.10162	0.5
110.10461	0.6
115.05483	0.6
117.07015	0.8
119.08582	0.3
121.10101	0.3
127.11205	0.2
128.06248	1.0
129.06989	0.8
130.07805	1.0
131.08517	0.3
137.05998	0.3
141.06999	1.6
143.08548	0.6
144.05653	0.3
144.35793	0.2
145.06531	1.0
145.10130	1.0
146.05943	0.2
147.08057	0.3
155.04895	0.5
155.08513	0.9
157.06470	0.8
158.07283	6.5
159.04448	0.3
159.08064	1.5
159.11713	0.4
161.05925	0.3
165.01234	0.3
168.05701	0.4
169.06487	4.3
170.07275	3.5
171.04437	1.8
171.08054	1.0
173.06010	0.7
173.09637	3.4
174.06792	1.1
175.07634	0.3
177.09128	0.6
183.08049	0.7
185.06065	0.5
186.06778	7.8
187.07576	1.7
190.06261	4.3
197.06018	2.3
198.06783	9.7
198.12057	0.5
199.03934	1.7
201.09123	49.1
202.09477	0.4
204.07860	1.5
205.08624	20.4
211.07610	0.5
212.13403	0.2
213.05438	0.3
214.06265	26.9
215.06940	0.3
228.07890	0.3
229.08618	100.0
230.08926	0.3
247.09682	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1289
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05511	7.2
56.05041	2.9
59.05040	0.6
68.05054	0.5
69.03444	0.5
70.06584	1.0
70.27451	2.1
72.08157	100.0
83.97966	0.5
84.04505	63.6
84.08137	0.8
85.02914	1.5
86.09711	1.6
97.02882	0.6
98.98472	1.3
102.05537	2.1
103.02444	1.2
110.09682	0.7
118.08658	58.7
119.01949	0.7
127.03974	0.9
130.04999	12.5
131.01892	0.6
138.09105	1.1
138.34744	0.5
148.06108	0.6
156.10197	5.3
157.10513	0.7
165.57806	0.5
184.09694	19.8
201.12419	0.7
202.10811	0.6
203.11090	3.0
203.12788	0.5
229.11890	1.5
230.10234	13.2
247.06053	0.8
247.12886	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03940	3.0
53.27649	1.4
55.01862	1.9
55.05502	5.5
60.13263	1.2
65.03940	3.6
67.05502	6.8
69.03427	17.0
69.07059	3.6
71.04994	1.2
71.53100	1.2
72.08159	1.7
79.05494	9.1
81.03426	1.9
81.07063	12.2
81.80717	1.2
83.04987	15.3
85.02872	1.2
86.87682	1.1
87.04446	1.4
91.05484	15.1
93.03398	3.9
93.07057	17.5
94.03407	1.3
95.01624	1.6
95.04958	5.4
95.08581	5.4
97.02908	7.2
98.97592	1.5
98.98470	3.2
103.05495	2.3
105.03394	1.3
105.07047	15.7
107.04941	2.1
107.08599	14.7
109.02892	17.0
109.06522	13.4
109.10153	4.6
111.04428	5.7
111.08090	1.9
115.05458	2.8
116.06217	1.6
117.07015	8.8
119.04952	1.6
119.08585	22.7
120.08045	1.8
121.02911	6.2
121.06507	19.2
121.10137	9.2
123.08023	2.2
127.07493	1.5
128.06215	2.2
129.07008	6.4
130.07690	1.7
131.04941	1.4
131.08565	18.6
132.05661	1.7
133.06508	3.1
133.10124	13.5
135.07135	1.9
135.08069	25.8
135.11720	1.3
137.06001	8.1
137.09621	4.6
139.03929	1.6
141.06996	1.7
142.07771	1.8
143.08539	10.6
144.09326	9.0
145.06526	8.6
145.10143	13.6
147.04399	3.3
147.08051	5.9
149.05965	1.8
149.09634	20.3
150.10368	3.3
151.11169	4.7
153.07019	3.0
153.09029	1.8
155.08554	4.1
156.09309	1.6
157.06541	1.8
157.10156	5.3
158.07263	3.0
158.10912	9.9
159.08078	10.5
159.11702	29.6
160.08826	3.1
161.09596	3.3
163.07552	19.5
163.11006	1.4
165.09062	2.7
168.09358	3.2
169.10164	3.6
170.10899	5.2
171.08070	5.2
171.11717	2.0
172.08864	15.3
173.05942	2.0
173.09651	28.9
173.13280	40.3
175.07567	2.9
177.12617	1.6
181.06488	1.7
183.11710	8.8
185.09621	2.4
185.13232	2.1
186.10405	20.0
187.11194	100.0
189.09106	3.2
191.07042	23.1
196.08850	5.1
199.07518	2.1
201.09045	2.1
201.12753	65.9
205.12241	8.5
211.11147	10.0
214.09904	2.8
219.13832	3.8
229.12251	67.7
247.05838	7.2
247.09714	4.2
247.13303	63.2
247.16994	5.4
247.20770	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	66.7
70.56567	0.6
70.56912	1.1
76.93327	0.5
80.58291	0.5
81.25581	0.5
85.65460	0.5
91.05495	0.7
101.17616	0.5
104.76302	0.4
115.05500	1.1
117.07029	1.6
118.06552	32.6
120.80949	0.5
126.67353	0.5
132.08206	0.6
142.06519	2.8
143.07321	3.8
144.04457	0.7
144.08089	19.0
144.39355	0.5
146.06013	84.5
148.98906	0.5
160.07584	0.6
170.06023	6.3
188.07076	100.0
247.14409	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	248.1284
Annotation	4-Epiphyllanthine
Peak:m/z	Relative Intensity
53.03962	0.4
55.05505	1.0
56.05050	0.3
65.03905	0.3
67.05514	0.7
69.07063	0.6
70.46164	0.6
70.46496	0.4
79.05488	0.9
81.07040	0.8
83.05000	0.9
84.08126	0.5
84.28473	0.3
87.08104	1.5
91.05490	0.9
93.07066	0.3
94.06546	0.8
95.04984	0.5
96.08109	0.6
105.07047	2.5
106.06544	0.4
107.08583	0.7
109.06533	1.1
115.21530	0.3
119.08600	2.0
120.08127	1.0
121.10101	0.4
122.06029	1.2
123.06829	2.9
123.08195	0.3
124.07579	1.4
124.08395	0.3
129.07028	0.5
134.06033	13.4
136.07570	1.2
137.08344	1.0
138.05522	5.5
140.07091	1.0
145.10088	0.4
147.06778	1.2
147.11693	3.3
148.07584	2.4
150.05504	3.0
152.07088	16.5
153.07910	1.8
159.08060	0.4
160.07585	4.2
161.08284	0.8
162.05565	0.4
162.09177	1.5
163.06293	1.0
164.07077	3.0
164.52580	0.4
166.08662	1.2
168.13834	1.0
172.07654	0.5
173.08382	6.8
173.61700	0.3
174.09166	2.1
175.06265	0.6
176.07069	4.6
177.07936	2.5
186.09169	0.9
186.14864	1.6
187.09901	0.8
188.07063	1.7
188.10785	0.7
190.08626	4.9
191.09427	12.9
192.06490	0.7
192.10176	0.6
197.08241	0.9
198.09055	0.6
200.07005	0.3
200.10721	1.8
201.07849	0.4
201.11485	0.9
202.08653	0.5
202.12251	4.8
204.07945	0.3
204.10231	0.4
205.07341	0.7
207.13872	1.1
212.07622	0.3
212.10725	1.2
214.08644	1.4
215.09547	0.4
216.10393	0.5
218.11772	2.8
219.12405	0.4
220.13345	17.1
228.10289	0.5
230.05478	0.4
230.08296	0.7
230.11800	9.3
248.06772	2.7
248.12848	100.0
248.16444	4.8
249.11279	1.3
249.13504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
65.79343	0.1
70.76839	0.3
71.33593	0.1
74.89352	0.1
117.05762	0.3
118.06546	3.9
132.08099	1.9
133.08894	0.5
134.09634	0.3
144.08087	0.3
146.09639	1.4
158.09624	0.2
160.11237	0.6
174.12845	0.8
176.14357	10.2
190.08647	9.6
190.09991	0.2
190.10460	0.2
191.09384	0.3
202.15884	1.7
203.16663	0.9
204.10216	5.5
205.10951	1.3
206.11754	0.3
216.09991	0.2
218.11768	4.5
219.12532	0.2
232.13213	0.4
248.16466	100.0
249.16847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64485	0.2
69.92368	0.3
69.92777	0.8
78.30949	0.2
84.04496	0.6
96.52902	0.2
98.00157	0.2
98.06074	0.2
100.93431	0.2
110.11805	0.2
118.06545	4.5
130.04993	0.2
131.07184	0.2
132.08087	1.6
133.08902	0.3
134.09630	0.3
144.08109	0.4
145.08855	0.2
146.09627	1.5
147.04454	0.3
160.11290	0.9
172.11307	0.2
174.12843	0.9
176.14357	11.3
179.14320	0.2
188.14337	0.4
190.08635	12.1
191.09462	0.3
202.15872	1.8
203.16676	1.0
204.10219	2.4
205.10977	0.7
206.11673	0.3
217.63972	0.2
218.11740	3.7
232.13417	0.3
239.60428	0.2
248.16467	100.0
249.16872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34150	2.6
65.38771	2.9
70.24513	8.6
94.93018	100.0
104.80775	3.0
206.88596	25.2
248.89645	31.6
249.03719	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01853	0.8
55.05485	0.5
57.03423	0.5
59.05000	0.4
63.22519	0.4
65.01063	0.3
67.05489	1.0
69.03421	1.3
69.32033	3.2
79.05480	1.4
81.07050	1.3
84.08190	0.4
85.02932	0.5
87.08108	1.3
88.08437	0.7
91.04980	0.5
91.05489	6.1
93.07036	1.1
95.04961	1.5
95.08582	0.8
97.02869	0.5
98.21657	0.3
101.87486	0.4
103.05454	1.2
105.03416	0.4
105.07035	3.4
107.04942	1.4
107.08592	1.1
109.06519	0.5
111.29824	0.3
115.05455	4.4
116.06232	2.2
117.07031	2.6
118.37164	0.4
119.04958	0.6
119.08609	1.3
120.08129	0.5
121.06495	0.8
121.08540	0.3
121.10137	0.4
123.08050	0.7
125.05974	0.8
125.98746	0.4
128.06233	6.6
129.07014	14.8
130.07819	0.7
131.04915	1.6
131.08578	14.7
132.05658	1.0
133.06491	2.8
133.10124	1.5
135.08087	0.6
137.05963	0.6
141.06998	7.0
142.07794	3.2
143.04936	0.7
143.08577	3.0
144.05711	7.0
145.06480	4.6
145.10103	0.8
146.03668	0.4
146.07256	2.7
147.04427	1.2
147.08058	1.1
149.09608	0.5
151.07497	0.5
152.06236	0.8
153.07010	1.8
155.06017	1.6
156.05702	1.6
157.06487	8.0
157.10097	0.5
158.07266	1.8
159.04424	0.5
159.08063	22.6
160.05199	1.0
161.06000	3.2
161.09624	6.3
163.07527	0.5
167.07063	0.9
169.06442	1.4
169.07640	2.9
170.07269	6.7
171.04381	1.0
171.08057	5.6
172.05191	2.6
173.05986	3.4
174.06779	2.6
175.07541	2.1
177.05453	0.5
184.05132	0.5
185.05940	1.0
186.06799	0.7
187.07550	14.6
188.04745	0.3
188.08336	1.4
189.05475	2.8
189.09128	7.3
189.12717	0.4
190.06306	1.0
191.07024	1.3
192.07851	0.5
193.08607	1.0
198.06766	1.9
199.07518	2.8
201.05515	1.4
203.07025	5.2
203.14305	1.1
204.07826	10.3
205.08569	1.5
206.09410	0.6
207.10168	0.4
216.07849	2.4
217.08629	0.8
217.10730	0.3
218.09413	1.2
219.06667	0.5
219.10248	2.0
219.13803	0.7
221.08090	0.5
221.11690	2.9
231.10187	5.5
231.13855	0.9
234.08846	0.8
248.64604	0.5
249.11234	100.0
250.11732	0.6
259.43689	0.3
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	Microhelenin F
Peak:m/z	Relative Intensity
52.95551	0.3
57.03414	0.4
67.05492	1.0
69.03422	0.9
70.96917	0.9
79.05486	0.6
80.01577	0.4
81.07053	0.7
85.02906	0.5
91.05483	5.9
93.07076	0.8
95.04983	0.5
95.08598	0.6
97.02871	0.6
103.05470	1.0
105.07046	3.1
107.04939	1.7
107.08587	0.4
109.06484	0.4
115.05459	4.1
116.06258	2.3
117.07027	2.4
119.08598	0.8
121.06462	0.6
128.06223	6.4
129.07011	15.1
129.31630	0.3
130.07791	0.7
131.04922	1.8
131.08574	15.4
132.05750	0.5
133.06535	2.1
133.10127	1.1
135.11674	0.5
141.06990	6.7
142.07802	3.6
143.04916	0.9
143.08592	2.4
144.05704	7.8
145.06497	4.4
146.07269	3.1
147.04405	1.4
147.08109	0.6
152.06195	0.6
153.05927	0.4
153.07030	2.4
155.06052	1.5
156.05693	1.6
157.06499	7.5
158.07257	1.9
159.04443	0.6
159.08066	21.4
160.05186	0.9
161.05983	2.0
161.09645	6.1
167.07153	0.7
169.06445	1.2
169.07635	2.4
170.07274	7.2
171.04384	1.2
171.08051	4.9
171.09360	0.6
172.05217	2.7
173.05989	3.3
174.06798	2.7
175.07536	2.1
177.05551	0.4
178.06215	0.8
184.05203	0.5
185.06009	1.1
185.13162	0.5
186.06723	0.9
187.07556	14.5
188.08347	0.6
189.05499	3.1
189.09109	7.3
190.06276	1.3
191.07050	0.9
193.08554	0.7
198.06790	1.5
199.07487	2.0
201.05508	1.1
203.07066	4.5
203.14365	0.4
204.07835	9.9
205.08612	1.5
206.09422	1.1
216.07864	3.1
217.08604	1.2
218.09402	1.4
219.10248	1.9
221.08151	0.8
221.11720	2.5
231.10161	5.7
231.13763	0.7
234.08841	1.0
249.11227	100.0
250.11612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1076
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
50.39486	0.6
52.35725	0.9
53.03939	0.7
55.01875	2.1
69.44102	0.6
70.06599	1.1
71.01373	1.2
73.02909	2.5
77.95824	0.6
81.07083	1.0
82.17987	0.7
84.08138	1.0
85.02917	0.9
86.09648	0.7
91.05495	1.6
93.21323	0.6
97.02875	1.3
98.98463	8.0
117.07006	1.7
118.06547	6.8
119.07327	5.3
132.08087	1.8
134.09660	25.7
136.06192	6.3
144.08035	1.2
160.11230	9.7
186.02173	0.7
188.07024	1.1
189.07640	1.1
190.08635	7.8
191.09474	1.3
204.03381	0.9
204.10201	15.2
206.11798	8.4
220.84367	0.6
232.09787	1.9
234.07617	2.7
245.13795	0.7
250.10783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1442
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03963	0.6
55.01879	1.5
55.05519	0.9
55.99331	0.4
56.96575	0.6
64.72446	0.4
65.03955	0.6
67.05517	7.8
68.05044	5.4
69.03452	0.7
69.07077	1.3
70.06602	19.9
71.05012	0.7
71.52737	0.6
73.02919	0.6
79.05506	9.4
80.05032	1.3
81.03416	0.5
81.07076	5.2
84.08141	0.6
91.05489	4.7
93.05805	0.9
93.07047	4.6
94.06598	1.0
95.04988	2.8
95.08605	2.2
96.08208	0.5
97.02910	1.3
98.97600	3.8
98.98486	4.5
100.07630	50.6
105.07022	2.6
106.06578	1.6
107.04961	1.6
107.07388	0.7
107.08606	5.7
108.08131	1.9
109.06541	3.2
109.10166	4.6
114.05547	16.7
115.05448	0.8
116.07101	2.5
116.98630	1.3
117.07040	2.1
118.06575	0.7
119.07322	0.5
119.08591	1.9
120.08121	1.2
124.07628	0.5
126.09086	0.7
128.07097	71.5
132.08107	1.1
134.09660	4.7
135.08073	16.1
135.10484	0.8
135.11650	0.8
137.09657	5.9
144.08179	0.6
147.11761	0.5
148.07516	0.7
148.11232	2.0
152.07124	0.7
152.10725	0.7
154.08659	6.4
158.99651	1.3
160.11229	0.7
161.13437	0.5
162.09175	1.7
164.07092	3.1
165.07938	0.4
176.14389	2.3
177.00757	1.3
178.08655	3.3
180.10237	3.4
186.12762	0.6
190.08632	0.9
194.08224	0.7
204.13873	8.3
208.09717	7.5
218.76132	0.5
220.10437	3.8
220.13345	3.2
220.60585	0.9
222.14934	5.1
229.10963	1.8
232.13402	2.2
250.14415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1803
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03948	1.3
55.01865	1.2
55.05516	5.3
55.52787	0.9
56.05020	1.4
57.03424	3.3
57.07071	3.5
59.02245	1.0
67.05512	8.9
68.05039	1.7
69.07083	4.8
69.99445	4.3
70.02937	2.6
72.04529	5.3
79.05490	6.8
80.05013	3.7
80.44013	1.1
81.03404	0.9
81.07061	20.0
82.02934	2.1
83.04950	1.1
83.08614	1.0
84.04501	3.8
84.08157	1.3
91.05478	4.7
93.07052	16.3
94.06583	2.1
95.04972	1.7
95.07347	1.1
95.08609	14.5
96.04492	3.3
96.08132	2.3
98.09671	1.0
98.98470	32.7
99.95959	0.9
100.03977	1.2
105.07036	4.0
106.06522	1.8
107.08609	7.5
108.08130	2.7
109.06525	1.4
109.10155	2.4
110.06039	2.9
110.09707	2.2
110.95891	1.0
112.04032	0.9
114.44357	0.9
117.07010	1.3
118.06534	2.7
119.07338	1.0
119.08594	6.4
120.08093	3.0
121.08845	1.1
121.10169	1.2
122.06020	1.2
122.09662	2.2
131.08565	1.4
132.08080	4.0
133.05301	1.1
133.08838	2.6
133.10138	2.5
134.09668	6.1
135.06755	1.3
135.08124	0.9
135.10545	0.9
135.11693	5.3
136.07559	1.5
136.11208	2.4
137.13287	1.5
138.05519	11.1
144.08093	3.3
146.09665	6.0
148.07574	11.2
148.11218	1.3
149.08400	1.1
150.12805	1.8
152.10699	2.0
152.14340	7.2
160.07629	4.1
160.11247	3.6
161.13268	3.1
162.09113	2.3
162.12767	5.7
164.10756	1.6
170.09641	3.6
171.10413	2.6
172.11214	3.5
174.09142	3.4
174.12790	3.6
176.10748	1.4
176.14305	2.3
177.11534	3.3
178.12280	2.8
178.15935	2.4
188.10719	1.4
188.14348	4.3
189.11478	10.0
190.12309	3.2
190.15891	1.3
194.11769	3.0
197.40628	0.9
198.35892	1.0
204.17484	1.4
206.15385	8.6
214.15929	6.7
230.15450	1.1
232.16971	39.4
250.18039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03951	1.5
55.01870	1.7
55.05516	7.2
57.07085	5.5
59.05001	7.3
67.05508	11.5
69.03434	8.2
69.07055	4.5
70.48440	3.6
71.04997	41.2
79.05495	8.4
81.03411	1.6
81.07060	11.0
83.04994	9.8
83.08632	7.9
83.30945	1.1
85.02903	2.3
85.06534	6.9
90.26110	1.3
91.05477	12.5
93.07053	12.0
95.04973	13.4
95.08618	13.0
97.06537	13.4
97.40437	1.1
98.98473	100.0
99.04465	1.7
105.07043	12.4
107.04960	4.4
107.08603	18.4
108.60022	1.2
109.06516	6.5
109.10188	11.2
110.14254	1.1
111.04448	1.7
111.08086	7.8
113.06018	7.9
116.99497	2.2
117.07017	4.3
119.08596	25.7
121.06498	5.6
121.10157	26.3
122.07330	1.6
123.08071	7.4
123.11720	5.3
125.06013	16.7
125.09637	3.3
129.07022	2.6
131.08586	8.6
133.06499	3.6
133.10181	7.3
135.08122	2.5
135.11742	6.9
137.09625	40.0
143.08588	1.7
145.10114	18.0
147.08057	55.5
147.11705	13.5
149.09624	12.5
149.13277	2.9
151.07565	4.4
151.11171	2.1
151.14854	3.2
153.09134	2.6
155.08682	1.4
155.10698	3.0
157.10136	3.4
159.08046	2.4
159.11757	2.9
161.13264	2.1
163.11186	41.6
163.14844	2.3
165.09134	2.7
167.10756	1.2
171.11685	1.7
173.09648	2.6
173.13266	5.8
174.99219	6.2
175.11200	11.2
177.09123	2.8
179.14319	17.2
181.12242	9.3
187.14824	7.0
189.12848	2.6
191.14348	9.6
191.51073	1.3
193.12274	7.3
195.10193	2.3
197.13211	1.3
205.15921	5.6
207.13835	4.4
215.14255	11.1
233.15388	52.1
251.05115	1.3
251.09140	1.6
251.16463	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03946	2.3
55.05513	2.9
56.96571	0.7
57.07086	4.5
59.04998	3.0
62.97835	0.6
67.05503	3.3
69.03427	3.1
69.07077	2.6
69.80846	1.7
69.81232	1.8
71.04999	53.2
76.42052	0.8
79.05486	5.3
81.03437	1.7
81.07068	7.0
83.04984	10.8
83.08620	2.7
85.06547	1.3
86.09695	0.9
91.05473	6.1
93.07054	6.7
95.04974	11.7
95.08624	6.4
97.06533	8.3
98.20798	0.8
98.98473	100.0
99.04446	0.9
103.05444	0.9
105.03365	1.1
105.07047	6.5
107.04968	1.4
107.08609	6.9
109.06519	2.9
109.10157	4.5
111.08081	1.9
113.06015	1.3
116.99498	1.6
117.07043	1.6
119.08588	4.7
121.06499	2.0
121.10152	12.3
123.08073	5.0
123.11717	2.6
125.06002	28.9
125.09597	1.0
131.08571	3.6
133.10155	2.6
135.08083	2.2
135.11725	3.7
137.09651	2.4
143.08588	0.9
145.10144	6.5
147.08096	2.4
147.11700	3.4
149.02368	0.8
149.09613	7.6
151.07547	4.9
155.10669	1.4
157.10089	0.8
159.08037	1.5
159.11726	1.4
163.11191	32.9
165.09143	1.2
167.10745	1.2
173.09721	1.2
173.13321	1.7
174.99196	5.0
175.11217	1.9
177.09116	2.6
181.05052	1.4
181.08704	0.7
181.12251	16.3
187.14841	0.8
189.12816	2.6
191.14359	1.5
193.12297	2.0
195.10115	2.4
197.13329	0.9
207.13802	1.4
215.14325	2.0
215.44907	0.7
233.15388	14.1
251.04869	1.0
251.16447	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37309	0.4
64.04729	0.3
70.02964	0.5
70.96358	0.7
77.03962	0.3
87.00834	2.6
91.05499	0.7
93.07057	1.7
98.98459	0.5
103.05473	6.4
118.06549	9.9
120.08115	100.0
128.04990	1.2
131.04990	0.4
136.06172	0.6
146.06023	18.5
146.52985	0.4
165.35587	0.4
166.08621	2.1
188.07079	18.5
192.06613	1.0
206.08142	69.6
216.06569	0.5
234.07626	2.4
252.08743	0.9
252.12297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04534	0.5
69.88140	0.9
69.88531	0.9
70.02959	0.7
74.00664	0.6
74.78638	0.4
79.05466	1.0
87.00837	2.9
91.05492	0.9
93.07047	1.4
98.20860	0.6
98.98476	1.1
103.05475	6.1
104.03468	2.1
106.06546	1.6
107.04977	4.1
117.83955	0.4
118.06544	9.4
118.99885	0.8
120.08111	100.0
128.04982	1.5
131.04916	1.5
136.06194	1.7
146.04849	0.6
146.06017	17.6
166.08676	2.5
188.07080	19.9
192.06564	2.2
193.08847	0.4
205.98836	0.6
206.08136	67.5
234.07658	2.6
234.11270	1.2
252.08734	1.2
252.12183	1.1
252.14491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03949	0.2
56.05051	0.2
57.03437	0.3
60.04508	0.2
67.05512	0.2
68.05050	0.2
69.03440	0.4
69.94201	0.5
70.06593	1.6
71.04998	0.5
72.08160	0.5
73.02924	0.9
73.03278	0.2
74.02461	0.2
80.05050	0.2
81.03432	0.2
81.07057	0.2
84.04507	0.8
84.08157	1.4
85.02903	0.3
85.06554	0.4
86.09705	0.7
87.04453	0.2
88.03999	0.6
94.04075	0.4
94.06568	0.3
98.98466	1.8
99.04477	1.1
102.05563	0.2
110.07209	0.2
111.05546	0.9
117.05494	2.2
119.03568	0.8
123.05595	1.0
129.10243	0.6
136.06195	100.0
137.04634	0.4
137.07155	0.3
144.10222	0.3
145.96617	0.3
147.04414	0.5
149.39622	0.2
161.12871	0.4
179.11832	2.6
181.06201	0.2
192.10260	0.2
205.98816	0.5
207.08194	0.4
229.00281	0.3
252.10851	2.6
258.18103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
55.05505	2.1
56.05035	6.3
64.41003	0.6
67.05497	1.4
69.03387	0.8
69.20304	6.7
70.06577	2.1
72.08150	3.0
73.02920	0.7
74.02439	7.0
74.71857	0.6
79.05482	1.4
81.07058	1.3
82.06583	4.0
84.04488	1.4
84.08153	5.1
85.02901	1.1
86.09706	5.1
88.03995	2.0
91.05470	5.5
97.02923	0.8
98.98473	10.7
103.05460	0.9
104.34602	0.7
105.06992	1.4
107.04959	1.4
107.08604	1.3
109.06535	2.0
117.07017	3.5
118.06545	0.7
118.99874	1.9
119.03549	1.6
120.01158	1.1
120.08110	14.7
121.06532	2.8
123.05560	5.0
124.07593	11.3
128.07115	2.2
129.10258	1.9
134.04486	3.0
135.08063	6.3
136.06187	42.5
137.05977	50.3
145.06485	2.7
145.10133	2.5
146.06010	2.8
147.04402	1.6
147.07991	2.0
148.05197	1.2
149.06001	2.7
151.07562	1.0
158.07272	2.2
160.07491	1.1
161.05991	1.6
161.09604	3.0
163.07553	25.1
164.10768	1.9
166.08565	0.8
171.08031	1.0
173.09637	10.5
179.10710	1.2
188.07056	2.0
188.10678	1.1
189.09114	8.1
190.12291	3.8
191.10712	3.6
192.06511	0.7
199.07648	0.7
205.98787	2.3
206.08211	9.0
206.11761	36.7
210.07748	0.8
217.08699	1.0
223.06006	1.5
229.00468	0.9
234.07747	1.3
234.11398	1.3
234.13495	5.0
235.09654	2.2
252.08691	3.5
252.12314	100.0
252.14618	20.0
252.23257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69204	5.6
70.95674	10.7
94.93029	46.3
110.07209	7.8
120.94550	100.0
123.73866	5.1
136.94048	8.0
148.94040	63.3
150.91937	8.1
160.94016	8.3
192.93024	75.5
198.66382	6.3
198.68153	6.3
234.94221	7.3
234.97762	13.4
235.11876	8.2
252.95155	96.2
252.99100	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01865	1.1
55.05513	1.2
56.05030	0.7
57.03434	1.6
57.07068	1.2
57.43666	0.4
59.04993	1.8
60.04525	0.6
61.02909	2.4
64.57043	0.5
67.05502	1.4
69.03433	5.6
69.07067	1.7
70.06604	2.6
70.67056	1.2
71.04992	1.4
72.08150	0.8
73.02929	1.1
73.06558	100.0
78.23132	0.4
79.05491	1.4
81.03420	1.7
81.07060	1.9
83.04996	0.9
83.06102	0.7
84.01333	0.4
84.04514	3.7
84.08149	5.7
85.02907	20.5
86.09716	4.2
89.06016	0.7
91.03980	0.4
91.05491	1.0
91.07589	6.8
91.21140	0.4
93.07052	0.9
95.04990	0.9
95.08625	1.0
97.02904	4.8
98.98470	53.4
99.04450	1.3
100.98940	0.5
101.02377	0.5
105.03403	0.6
105.07046	0.9
107.04934	1.1
107.08540	0.5
109.02882	1.9
109.06571	0.5
110.07176	6.1
115.03981	0.6
116.07145	0.8
116.99510	1.0
119.04968	0.7
119.08685	0.6
120.08141	1.1
123.04431	0.7
127.03936	3.0
129.10223	2.9
130.05014	0.6
133.02812	0.5
135.04356	0.5
136.06207	3.7
136.07573	2.6
137.06572	1.9
137.09680	0.5
139.88913	0.5
141.05513	0.6
145.04950	3.6
147.04424	1.0
150.05576	0.9
151.04010	0.5
156.07748	0.8
165.05553	0.8
174.99304	1.2
176.99001	0.9
179.03410	1.1
189.54779	0.4
197.11855	1.7
207.08263	0.6
208.08392	1.3
217.08606	0.5
226.11864	0.7
235.07651	0.7
235.11787	2.6
253.08444	1.0
253.10635	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	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05507	6.7
55.84151	1.7
57.07084	3.8
59.04995	3.2
65.03921	2.4
67.05506	31.0
69.03438	3.1
69.07056	10.2
71.04993	23.5
71.52413	2.6
73.06545	1.5
77.31122	1.7
79.05505	7.7
81.07063	22.3
83.04971	2.0
83.08621	3.8
85.02914	3.5
85.06544	3.8
87.08113	2.0
89.06026	4.7
91.05477	6.8
93.07053	17.0
95.04973	29.6
95.08600	15.4
97.10158	1.6
98.98471	100.0
99.04436	2.4
99.08067	1.9
105.07033	16.1
107.08588	28.7
109.06519	3.7
109.10164	68.1
111.08086	4.5
111.11806	1.5
113.05917	1.6
117.07079	1.8
119.08575	17.4
121.06521	1.8
121.10149	22.8
123.08064	4.6
123.11713	4.9
125.09633	18.1
127.07575	1.9
127.11202	4.0
127.88313	1.8
131.08556	5.9
133.10126	10.0
135.08049	2.9
135.11710	10.9
137.05922	1.6
137.09639	4.4
139.07515	2.0
144.68860	1.6
145.10100	12.7
147.08070	4.6
147.11694	29.7
149.09639	4.5
149.13283	4.2
151.11203	2.0
153.12726	13.3
155.11819	1.8
157.10149	3.7
159.11647	4.3
161.13271	3.7
164.78049	1.6
165.09114	1.9
165.12776	5.0
174.99234	3.1
175.11159	4.1
175.14777	7.8
176.98932	3.6
179.10695	1.8
182.79750	1.5
189.16382	16.2
191.17970	4.8
193.12260	2.1
193.15887	9.1
199.14915	2.6
207.17415	3.7
217.15877	15.0
232.30338	1.6
235.16930	32.1
253.08601	1.8
253.14174	15.1
253.17651	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	254.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01887	0.9
55.05510	2.6
56.05039	1.4
57.03425	2.2
60.04515	0.7
61.02918	1.6
67.05510	0.9
68.05014	1.0
69.03434	2.0
69.65134	4.4
70.06604	3.7
72.08157	1.7
73.02928	1.0
73.06567	1.1
73.45291	0.6
74.02441	1.0
74.06919	0.8
79.05494	3.5
80.05017	0.8
81.03422	1.4
81.04549	1.9
81.07074	11.9
82.05329	3.2
83.06112	12.2
84.04521	1.6
84.08152	1.4
85.02925	5.2
86.03246	1.4
86.09689	1.3
90.96894	0.6
91.05485	0.8
93.04543	9.1
95.05002	1.3
95.06109	21.5
97.02888	2.6
98.06075	0.9
98.09710	1.1
98.20842	0.9
98.98478	4.7
99.04471	1.5
101.00874	1.0
107.06075	1.5
109.02880	0.9
110.07181	73.9
111.05569	2.3
111.07546	1.2
112.07626	1.5
112.08730	2.0
119.04961	1.6
120.08131	7.9
121.07669	1.3
121.08456	11.4
123.04440	2.9
123.05554	9.1
125.07101	1.2
127.03963	1.3
130.05008	1.3
131.01930	1.2
135.08058	0.9
136.07585	1.7
137.06033	0.7
139.03952	2.1
145.04990	1.5
151.05913	1.1
156.07668	3.3
156.97491	1.0
157.03497	0.8
158.06705	0.8
161.02882	0.9
161.10590	0.7
163.07568	3.0
163.12331	36.0
165.05460	1.5
166.05014	1.3
167.11807	2.1
170.20786	0.7
170.91394	1.3
180.12640	2.0
181.13383	1.0
185.02971	1.4
188.92511	3.1
190.11932	1.0
190.13452	15.5
193.13390	2.8
195.11317	7.8
203.04008	0.8
208.14534	47.3
209.12921	2.9
210.16000	1.1
212.92480	0.7
213.00061	0.8
213.07867	1.3
230.93552	2.1
231.09015	1.1
236.14131	0.9
254.15021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
55.40084	0.3
58.02945	0.7
60.04509	0.7
67.05488	0.5
69.07086	1.4
70.06589	0.3
71.13103	0.3
71.25185	0.3
72.14935	0.3
76.04007	0.5
79.05511	1.9
80.05007	0.9
80.45395	0.3
81.07038	1.3
82.06593	0.5
83.08617	0.4
86.02426	0.7
88.03991	1.2
90.05572	0.4
91.05479	0.7
93.07049	3.9
94.06559	0.8
95.08601	0.9
96.08112	0.5
98.98453	0.7
105.06990	0.6
107.08592	2.1
107.82914	0.3
108.08116	2.9
109.08885	0.5
110.09677	1.0
114.05534	0.4
119.08553	0.3
122.09674	4.6
123.10455	0.8
126.05483	0.8
135.11697	2.7
136.11229	2.0
137.13235	0.6
138.05479	1.5
140.07043	0.6
142.08624	1.0
150.12808	3.3
151.13573	3.4
152.07086	0.6
153.07912	0.8
153.12834	0.4
154.08640	0.9
156.06583	0.4
156.10201	0.5
161.13274	0.3
164.14359	6.7
166.08591	1.9
167.09428	0.7
168.10164	2.0
180.10185	2.5
181.11000	1.3
182.11789	0.7
192.13831	0.6
192.85741	0.3
208.13362	2.1
210.14894	100.0
212.16469	5.5
237.07529	0.6
254.10240	1.2
254.17519	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21524	9.0
60.01392	8.3
69.48657	66.5
85.48606	9.2
98.21533	10.3
136.98770	23.1
150.67409	8.3
154.99811	30.7
160.00349	13.1
164.96725	9.1
178.01402	60.4
231.98930	17.7
249.99940	17.1
255.06264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03927	5.2
55.01862	4.0
55.05272	2.3
55.05509	27.1
57.03441	48.8
57.07053	6.4
67.05509	75.0
69.07073	26.6
71.01331	5.4
71.05004	8.4
77.03849	1.8
79.05497	64.6
81.03430	10.7
81.07058	37.4
83.04984	28.2
83.08617	8.4
85.02895	2.4
85.06536	7.0
91.05485	26.0
91.72998	1.7
93.07048	80.0
95.04942	7.0
95.08616	16.2
97.06015	2.0
97.06537	23.5
97.10160	16.2
98.98467	30.2
99.08090	2.8
105.07011	6.4
107.04955	3.0
107.07886	3.5
107.08598	54.2
107.30294	1.8
109.10156	9.3
111.08032	2.4
117.06982	6.8
119.08587	14.0
121.06471	2.3
121.10129	10.9
125.09583	5.6
130.07813	1.6
133.10120	6.1
135.08069	3.0
135.11697	100.0
137.09557	5.2
143.08586	2.2
145.10144	17.2
153.12718	4.1
163.11188	12.9
176.98895	1.8
181.12227	16.4
193.04881	2.1
195.11607	2.8
214.47400	1.8
237.16451	2.6
255.06276	2.8
255.15851	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01861	2.7
55.05514	25.7
57.03444	47.1
57.07058	7.1
64.34923	1.7
65.03940	2.7
67.05511	78.9
69.03413	2.7
69.07077	24.4
69.08930	1.7
70.41049	5.9
71.01354	5.7
71.04977	6.7
72.08133	2.1
79.05501	76.3
81.03426	10.4
81.07063	37.1
83.04983	22.2
83.08653	8.1
85.06527	7.2
91.05494	26.9
93.07054	71.2
95.04948	6.9
95.08597	13.1
97.06538	22.8
97.10189	12.8
98.97861	2.7
98.98469	32.0
99.08077	5.1
105.07009	6.4
107.04931	2.0
107.08607	46.7
109.06532	1.8
109.10172	9.2
111.08063	3.5
113.06022	1.6
117.06978	7.3
119.08603	9.8
121.06500	3.5
121.10153	13.6
125.05996	1.8
125.09570	5.8
130.07799	1.9
133.10118	5.6
135.08032	4.0
135.11700	100.0
137.09573	3.6
143.08536	2.6
145.10155	17.6
153.12711	2.2
162.58226	1.9
163.11160	17.2
169.10052	2.4
181.12233	16.0
197.13396	3.1
200.98563	1.9
213.12813	2.2
255.15831	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	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03439	4.4
57.38349	0.2
59.05001	0.8
61.02920	0.9
69.03436	1.9
71.01352	1.3
71.42391	0.2
71.51034	0.3
71.53056	0.2
73.02923	2.6
78.03458	0.5
78.96522	0.2
80.05038	1.3
85.02913	3.6
87.04463	0.7
96.04497	0.6
97.02899	2.1
103.03947	0.5
106.02979	0.3
115.03934	2.2
123.05557	2.5
124.03960	100.0
129.01871	0.4
133.04970	5.0
133.47606	0.2
155.08118	0.3
159.25653	0.2
179.75418	0.2
189.04041	0.6
203.05525	0.3
256.08252	0.7
256.12970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
55.05498	0.4
57.03437	8.2
58.99877	1.3
59.04999	1.3
61.02927	3.1
66.45436	0.3
66.53394	0.4
69.03433	5.1
70.72283	0.8
70.72621	0.5
71.01360	2.0
71.04984	1.0
73.02919	5.3
80.05022	1.4
81.03407	1.3
82.01468	3.2
85.02905	12.6
87.04462	2.2
89.02399	0.8
95.01314	0.6
97.01385	1.2
97.02890	5.5
99.02968	3.3
99.04440	1.0
100.02484	2.9
101.00887	3.6
101.02374	3.3
103.02438	0.9
103.03970	0.7
108.04179	0.5
109.02837	0.8
110.07140	0.9
111.00842	0.5
113.02381	0.4
114.05537	0.7
115.02471	2.6
115.03931	7.0
117.04001	8.0
118.03502	0.5
119.01914	5.2
123.05577	3.5
124.03959	100.0
124.60218	0.4
125.00847	0.7
127.02431	1.7
127.03920	2.9
129.01836	5.7
129.03940	0.6
131.01915	0.4
131.05559	1.3
132.03407	0.8
133.03476	1.2
133.04961	6.0
135.05031	2.6
136.06184	2.3
137.02930	0.5
140.05563	3.3
142.03485	0.4
143.01881	3.2
143.03395	2.3
145.03474	4.4
145.04929	3.6
147.01367	0.5
149.06706	0.7
150.06647	0.5
151.04364	0.5
152.55087	1.2
153.00319	0.5
153.05789	9.8
153.55809	0.6
155.08156	1.3
157.01360	3.3
157.03459	1.0
158.06685	2.3
159.05028	0.5
160.04799	3.1
161.02975	2.5
161.04469	4.5
161.06575	2.4
161.55684	1.1
162.06331	1.4
162.99402	0.4
163.04620	0.8
163.06035	1.3
166.03481	1.6
168.05072	3.0
169.05301	0.9
171.01398	2.5
171.02904	1.4
173.02988	0.6
173.57188	0.4
175.04619	0.5
180.56068	0.5
184.04567	5.5
185.03023	0.5
187.04649	0.4
189.02432	3.0
189.03967	10.9
192.01451	0.5
194.03011	1.2
196.07201	0.8
203.03902	0.6
203.05551	4.6
207.03490	1.5
207.36148	0.4
210.02524	2.2
212.04094	3.4
215.00337	1.0
221.06653	1.3
228.03633	0.6
230.05124	1.2
233.01453	5.4
238.09364	1.7
239.14894	0.4
251.02472	3.5
256.03055	6.6
256.08414	0.6
256.10370	2.0
256.12805	0.7
274.04114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.6
55.05508	1.7
57.03447	12.6
57.10297	0.8
58.99847	1.7
59.04984	3.0
61.02934	4.8
69.03123	1.1
69.03442	8.4
70.06600	2.0
71.01344	3.2
71.04986	3.5
71.05682	0.9
71.51415	1.1
73.02924	7.7
75.04453	1.0
77.00871	1.0
81.03422	2.0
82.01450	3.2
83.01359	1.4
84.08126	2.0
85.02917	22.6
86.09689	1.3
87.04495	5.0
89.02391	1.5
91.03953	1.0
95.01350	1.0
97.01349	1.3
97.02907	8.6
99.02968	3.6
99.04397	1.8
100.02499	4.2
101.00887	3.3
101.02403	9.9
102.04200	1.9
103.02451	1.1
103.03945	2.6
105.15324	1.0
108.04254	1.0
109.02903	1.8
110.07176	1.9
113.02347	1.5
114.05524	1.1
115.02457	5.2
115.03949	12.6
117.04021	6.4
119.01905	4.7
121.35504	0.9
123.04746	1.4
123.05568	9.0
124.03970	100.0
124.05895	10.3
125.00877	1.3
127.02405	1.5
127.03951	6.6
129.01865	13.9
129.10243	1.6
131.05524	3.2
133.03442	3.3
133.04990	7.0
135.05074	1.8
136.06197	6.4
140.05582	2.2
143.01907	2.9
143.03424	7.8
145.03606	4.7
145.04958	11.2
145.06041	1.4
146.15039	0.9
147.02972	1.0
149.06593	2.0
152.02014	1.2
152.55161	1.3
153.05807	20.3
153.55940	1.9
155.08154	1.6
157.01347	10.4
157.03439	1.7
158.06584	1.8
160.04781	3.2
161.02986	3.7
161.04456	8.9
161.06625	2.8
161.55592	1.8
162.06349	4.6
163.06010	3.2
168.05106	3.2
169.05238	1.0
171.01364	3.2
171.02867	4.9
173.06520	1.0
183.79976	1.0
184.04584	4.5
189.02432	5.3
189.03946	29.6
203.03914	1.4
203.05551	9.5
207.03355	1.2
207.05075	2.2
210.02477	2.3
210.38708	1.0
211.21266	1.0
212.04105	4.4
215.00317	2.2
221.06606	3.7
224.07697	1.0
233.01489	8.8
233.10455	1.1
238.09355	4.2
251.02542	7.1
256.03043	14.1
256.10339	3.6
256.12881	1.3
274.04193	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	256.1181
Annotation	Rubrobramide
Peak:m/z	Relative Intensity
55.05503	1.8
56.05040	2.6
57.03418	0.6
57.07076	0.6
61.02930	3.8
67.05496	1.5
68.05014	1.8
69.03422	0.9
70.06589	1.6
71.04970	0.6
71.51977	0.7
72.08134	0.7
79.05484	1.2
80.05032	2.7
81.03404	0.7
81.07065	2.6
83.08617	1.0
84.04491	1.5
84.08143	0.5
85.02917	0.8
86.09703	1.5
91.05466	0.9
92.58638	0.4
93.05791	0.7
93.07040	1.3
94.02901	0.5
94.06551	2.2
95.01331	1.1
95.03687	0.6
95.04983	0.6
95.08634	1.1
96.04524	0.8
97.02876	0.6
97.06506	0.7
98.06083	0.6
98.09695	10.2
98.97589	0.8
98.98454	0.6
105.07039	1.2
106.06547	0.9
106.07296	0.5
107.03703	0.6
107.07352	1.1
107.08549	0.5
108.04490	2.5
108.08138	0.7
110.07188	0.7
110.09678	3.4
111.08074	1.1
112.11230	0.9
117.05766	1.0
117.07032	0.5
118.06522	0.7
119.07333	2.0
120.04478	0.8
120.07232	0.5
120.08086	1.7
121.05242	1.4
122.02415	0.8
122.06063	1.1
122.09682	4.8
123.08138	0.6
124.03958	1.4
124.07628	0.5
125.05981	0.5
126.05486	0.6
127.03904	0.6
132.08098	2.1
133.10112	0.8
134.05983	1.1
134.09595	0.6
135.03151	3.9
135.06802	1.3
135.10449	2.7
136.03943	9.4
136.07585	5.7
136.11212	1.1
138.09140	4.7
139.07588	0.5
140.03407	0.8
140.10728	6.5
141.01816	0.7
146.09618	0.6
147.06691	0.7
148.03914	1.3
148.07555	1.9
148.11211	7.3
150.05478	1.0
150.09148	18.3
152.07047	2.8
153.82901	0.5
160.07539	1.0
162.09146	1.0
164.03291	0.6
164.10715	15.6
166.08643	0.6
166.12306	1.6
168.08826	0.5
168.10202	14.4
174.09265	0.6
176.07063	0.8
176.10709	5.9
178.05032	1.2
178.08646	20.2
180.10178	0.8
182.11803	1.3
190.08650	2.3
191.95337	0.4
192.10129	2.8
194.11801	2.6
194.37743	0.5
196.06046	1.2
196.09671	3.4
200.12819	1.5
202.08685	0.8
208.09645	0.6
210.11261	1.4
211.15273	1.0
220.09734	1.7
228.10304	0.8
228.12325	2.6
238.10800	2.2
238.14845	0.5
239.08322	0.6
239.14696	2.3
251.22160	0.5
256.11810	100.0
256.26352	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	256.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.05039	22.6
64.73033	0.7
64.84514	0.7
70.06597	100.0
70.65258	2.1
71.62631	0.7
72.22199	0.7
75.67760	0.8
79.05499	1.0
81.07076	6.0
86.06079	1.6
96.04510	1.6
96.34760	0.7
97.07677	1.1
98.09700	56.3
113.07138	47.6
114.05535	9.4
115.08707	10.8
116.07108	5.9
118.66618	0.7
120.67988	0.7
133.09798	0.7
141.06641	2.0
142.05019	0.7
159.07661	92.6
161.44797	0.7
182.09709	0.8
193.13499	2.1
226.08727	1.0
256.13483	4.3
256.16696	6.5
256.26190	1.1
257.04562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1656
Annotation	L-Pyrrolysine
Peak:m/z	Relative Intensity
53.03958	0.3
54.54957	0.3
55.01865	0.4
55.05498	0.8
56.05040	2.4
56.55659	0.3
57.03424	0.4
67.05499	0.4
68.05039	0.9
69.07080	0.8
70.02960	0.3
70.06593	100.0
71.04982	0.6
71.48996	0.4
72.08155	13.7
73.22234	0.3
79.05467	0.5
81.07062	1.5
82.06557	0.7
84.08153	0.6
86.09729	0.4
96.04475	0.4
96.08144	2.7
98.06033	0.8
98.09691	5.9
109.80502	0.3
110.09666	0.9
113.07140	1.7
114.05534	0.6
116.07098	18.6
124.03896	0.5
124.07608	0.5
133.57001	0.3
135.18871	0.3
139.08661	5.6
141.10231	8.2
142.08641	0.7
143.11803	2.8
148.94930	0.3
150.12785	1.2
153.10237	0.7
164.62949	0.3
167.11826	0.9
167.15445	1.1
168.13794	0.6
181.13356	5.2
185.09222	17.1
192.14917	1.1
193.13379	8.9
195.14975	1.3
196.13297	1.2
210.16016	39.6
212.17589	0.9
213.15994	2.8
238.15469	0.5
239.13896	3.3
256.12076	0.9
256.16559	36.0
256.26407	1.3
274.52045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.05507	1.3
56.67982	0.5
57.07077	0.8
65.03946	0.9
65.95728	0.5
66.04729	0.8
69.07068	0.7
70.06578	0.7
79.05504	29.1
81.07066	69.7
84.04487	0.6
91.05480	0.7
92.05825	0.7
93.07055	0.6
98.98477	0.7
105.07062	0.6
107.08572	0.6
108.08955	0.7
118.06552	5.2
118.49710	0.5
119.08589	1.0
120.08903	0.6
127.03945	0.6
132.08089	3.4
133.08856	1.0
146.09628	2.0
155.08411	0.6
157.10028	0.8
158.10475	1.2
160.11267	0.6
170.10484	0.6
170.15390	0.8
171.11707	1.1
172.12054	1.4
176.14368	48.9
183.11470	0.7
186.13737	0.7
196.12032	1.3
198.12959	3.0
200.11499	0.7
208.11992	0.6
209.12834	0.6
210.09406	0.8
212.14317	2.5
213.15886	1.3
214.13158	1.0
214.16653	1.6
223.14569	0.7
226.13788	0.5
226.15924	3.5
228.10126	0.6
238.16713	1.5
239.14859	0.6
256.07361	4.0
256.17816	12.2
256.20590	100.0
257.20908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.07087	2.6
59.40067	0.3
67.05472	0.4
69.07066	0.5
71.02196	0.6
71.08624	0.9
74.06086	0.4
81.44634	0.3
88.07637	2.1
89.06049	0.6
94.97200	0.3
102.09183	1.3
104.65556	0.3
106.06541	0.4
116.10739	0.7
130.06509	0.5
133.08638	0.6
143.07361	0.5
144.08087	0.6
156.08105	1.1
157.08870	0.4
158.09694	0.9
166.07817	0.4
168.08139	0.7
169.08939	0.6
170.09668	1.6
171.10474	1.3
171.49666	0.4
172.11229	7.5
173.12019	0.5
183.10429	0.4
184.11241	31.0
185.12074	2.5
186.12801	5.2
189.74542	0.4
197.11911	0.4
198.12799	9.7
199.13545	2.4
200.14391	4.9
210.12767	0.5
212.14369	6.5
213.15114	0.8
214.15930	1.1
226.15904	3.7
228.17552	0.4
231.72649	0.4
231.75323	0.4
239.14938	0.4
240.17520	4.2
241.18291	0.7
256.20630	100.0
256.26331	25.7
257.20828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.1
59.31944	0.3
69.07040	0.5
69.25328	3.4
71.08634	0.5
75.07819	0.3
76.37773	0.3
81.07041	0.5
87.80177	0.4
88.07621	0.8
89.06011	0.7
91.55421	0.3
119.08662	0.4
131.07317	0.4
134.79742	0.3
156.08092	1.2
157.08862	0.7
158.09691	0.6
161.76535	0.3
168.08087	1.0
169.08881	0.9
170.09624	1.2
171.10425	1.5
172.11224	8.6
173.11894	0.5
180.16289	0.4
182.09715	0.5
184.11226	30.6
185.12016	2.8
186.12770	5.3
197.11995	0.4
198.12791	9.1
199.13516	1.9
200.14343	5.7
212.14320	7.7
213.15152	0.7
214.15906	1.5
226.15910	4.5
228.17484	0.5
239.15030	0.5
240.17455	3.9
256.20605	100.0
256.26349	7.5
256.29916	1.7
257.20950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.3
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
50.21684	0.1
57.06798	0.2
57.07080	4.7
58.06342	0.3
58.06594	1.2
58.09120	0.1
59.07408	0.2
60.08167	19.6
63.20826	0.1
70.91244	0.2
71.08634	2.0
85.10199	0.9
89.06000	0.2
190.53636	0.1
232.41013	0.2
235.98489	0.2
239.15054	0.2
256.07318	0.3
256.29999	100.0
257.30374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
55.01870	0.4
55.05495	0.3
57.79586	0.1
67.05500	0.3
69.07044	0.2
69.49423	0.7
69.49837	0.3
79.05498	0.2
81.07035	0.2
83.35280	0.2
91.05486	0.2
93.07034	0.2
95.08588	0.2
97.10187	0.2
105.03434	0.1
106.80071	0.1
107.08546	0.2
109.10162	0.3
119.08562	0.2
121.10110	0.2
131.08603	0.3
135.08090	0.2
141.06969	0.4
145.10141	0.4
153.07027	0.4
155.08594	1.2
157.10168	0.2
159.08041	1.1
165.07013	1.2
168.05750	0.6
169.06552	0.2
171.11751	0.2
173.05986	0.4
173.09610	0.2
173.13214	0.2
183.08086	3.1
187.05888	0.2
187.07565	4.4
193.06514	0.2
196.05161	0.6
199.80452	0.2
201.09109	1.5
210.06754	0.6
211.07558	21.8
212.08360	0.2
213.05414	0.3
214.06204	0.6
215.07144	0.4
224.04688	0.4
228.07819	0.2
229.08655	1.6
239.07054	15.4
239.17984	0.2
240.07838	2.8
242.05754	17.7
256.07339	1.3
257.08102	100.0
257.18774	1.1
258.08578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Eleutherinol
Peak:m/z	Relative Intensity
53.36262	0.1
55.01869	0.5
55.05503	0.2
67.05521	0.2
69.07030	0.2
69.19127	0.7
69.19553	0.7
79.05470	0.2
81.07069	0.4
91.05509	0.2
95.08633	0.3
98.66266	0.1
103.05464	0.3
105.07013	0.2
113.09564	0.2
115.05545	0.2
129.06970	0.2
131.04933	0.9
131.08574	0.4
141.06987	0.6
143.08553	0.2
145.06488	0.2
145.10104	0.2
152.06119	0.2
153.01845	2.0
153.06996	0.3
155.08543	1.1
159.08040	1.2
165.07027	1.1
168.05727	0.6
171.02850	0.3
173.05928	0.3
173.09692	0.3
182.07330	0.2
183.08069	3.3
186.06740	0.2
187.07559	4.3
193.06514	0.4
193.55376	0.2
196.05220	0.6
197.06033	0.3
197.13200	0.2
199.14891	0.3
199.66612	0.2
201.09094	1.6
210.06769	0.5
211.07550	21.3
212.07948	0.2
213.05389	0.4
214.06305	0.7
215.06998	0.5
224.04764	0.2
225.05508	0.2
229.08597	1.9
239.07042	15.3
240.07831	2.9
242.05745	17.5
256.07309	1.4
257.08090	100.0
258.08423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Eleutherinol
Peak:m/z	Relative Intensity
50.68438	0.3
51.60270	0.3
54.95736	0.3
55.01857	0.4
55.05515	0.6
57.07066	0.3
61.02928	0.5
67.05518	0.6
69.07066	0.9
71.52751	0.5
72.91451	0.4
79.05489	0.5
81.07050	1.6
83.08593	0.3
85.06533	0.4
91.05463	0.6
93.07041	0.7
95.04955	0.3
95.08595	1.3
97.06548	0.5
97.10180	0.4
100.68001	0.3
105.07028	0.8
107.08581	0.7
109.10155	0.7
111.08073	0.6
115.65083	0.3
119.08630	0.7
121.10126	0.7
131.08569	0.7
137.09631	0.4
141.06972	0.7
143.08560	0.9
145.10139	1.0
149.84282	0.3
153.06992	0.4
154.42444	0.3
155.08536	1.4
157.10112	1.1
159.08070	0.7
159.11662	0.4
162.03346	0.4
165.07010	0.8
168.05684	0.4
169.10077	0.4
171.11629	0.4
173.05983	0.5
173.09538	0.3
173.13216	0.3
183.08073	2.8
183.11642	0.4
184.12497	0.4
187.07565	4.5
194.19052	0.5
196.05161	0.9
197.13240	0.6
199.14883	1.6
201.09081	1.7
201.12767	0.3
202.13593	0.4
210.06627	0.4
211.07553	21.3
214.06262	0.6
215.06987	0.6
229.08578	1.5
239.07043	15.3
239.18114	0.7
240.07822	2.7
240.19614	3.8
242.05754	19.3
256.07312	1.2
256.59933	0.3
257.08096	100.0
257.18958	3.3
257.22318	0.9
257.26682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01677	0.7
55.01878	9.0
55.05512	10.2
57.03432	3.4
61.02931	55.3
65.03928	1.2
67.05506	9.4
69.03427	4.3
69.07070	1.5
69.77570	4.2
71.01340	0.8
71.04998	1.5
73.02930	5.6
79.05496	10.7
81.03431	5.6
81.07064	24.2
83.01337	4.1
83.04976	2.2
83.08627	2.6
85.02913	3.5
91.03413	1.5
91.03961	23.5
91.05491	14.6
93.03417	1.2
93.07052	16.2
93.07633	1.1
95.01336	1.3
95.04967	9.9
95.08623	3.8
97.02906	1.4
97.06528	1.8
101.02375	0.9
103.05459	1.4
105.04494	1.2
105.07047	5.2
107.04956	2.7
107.08596	2.3
109.02894	2.7
109.06527	12.6
109.10158	1.4
111.04441	3.3
111.08086	100.0
113.02361	1.6
117.07032	1.2
119.03442	4.6
119.04942	1.8
119.08610	3.1
119.85071	0.7
121.02844	0.8
121.06512	3.6
121.10130	1.2
123.04427	5.4
123.08081	11.2
125.05980	1.1
125.09631	2.5
127.07580	1.5
129.06984	1.7
131.08585	2.1
133.06511	2.7
135.04485	1.3
135.08086	1.8
137.05988	18.0
137.09584	1.5
139.03891	1.7
139.07547	8.2
146.22527	0.7
147.08086	3.2
149.06000	1.5
149.09624	2.8
151.07520	7.1
153.09120	1.6
155.03462	1.8
155.07066	5.3
165.05510	0.8
165.09116	7.8
167.07063	3.8
167.10680	1.1
169.08580	4.3
175.07581	1.0
177.09070	1.7
179.07098	1.5
181.08612	1.5
183.10284	0.8
193.08653	2.7
195.06641	1.0
195.10202	10.1
195.83160	0.7
197.08192	0.8
211.09659	51.1
213.07645	2.1
217.37166	0.6
229.10730	5.4
239.09151	12.0
257.10141	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	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01876	10.1
55.05514	12.7
57.03429	4.8
61.02928	62.6
66.29298	1.0
67.05510	10.1
68.45509	1.0
69.03437	6.2
69.07081	2.6
70.51106	2.7
70.51475	1.9
71.01324	1.5
71.04980	2.4
73.02924	6.1
79.05500	13.0
81.03424	5.4
81.06590	1.7
81.07058	31.2
83.01331	4.3
83.04973	3.0
83.08614	2.0
85.02886	3.3
86.09689	4.4
91.03420	2.2
91.03955	28.0
91.05479	12.4
93.07053	18.6
93.77262	1.1
95.01310	1.6
95.04978	11.3
95.08579	4.1
97.02885	1.4
97.06498	2.7
101.02358	1.7
105.07014	6.2
107.04990	6.3
107.08594	2.7
109.02892	2.4
109.06516	11.8
111.04429	4.2
111.08084	100.0
113.02371	3.0
117.06986	1.3
119.03406	4.5
119.04930	3.2
119.08587	3.6
121.06503	4.3
121.10088	2.3
123.04410	5.6
123.08088	9.9
125.05955	1.2
125.09637	5.6
127.07512	2.3
129.07004	1.7
131.08533	2.1
133.06438	2.7
134.90269	1.2
135.04457	1.9
135.08067	2.1
137.05988	15.3
139.07567	10.3
141.01831	1.8
147.08029	3.2
149.09584	3.6
151.07567	9.4
153.05484	1.6
155.07027	5.4
165.05505	1.1
165.09137	6.3
167.07097	5.9
167.10631	1.4
169.05049	1.6
169.08597	2.9
175.07585	1.3
177.09148	3.6
185.08220	1.0
193.08600	2.6
195.10162	23.9
211.09668	49.1
213.07564	2.4
213.11234	1.7
229.10657	4.8
239.09167	23.1
257.04395	3.2
257.10153	4.6
257.12573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03943	0.9
55.01886	0.7
55.05508	3.1
57.07085	1.2
59.19737	0.7
67.05505	7.0
69.07066	4.6
70.84003	1.3
70.84335	0.8
71.04995	4.5
73.57707	0.6
79.05502	7.4
79.52571	0.7
81.07065	5.3
82.45010	0.6
83.04978	1.6
83.08611	1.8
85.06533	2.7
88.07656	1.2
90.85174	0.7
91.05473	9.0
93.07047	16.6
95.04979	3.8
95.08606	9.6
97.06525	1.5
99.08096	1.6
103.05428	0.8
105.07034	21.8
107.08601	14.6
109.06525	7.4
109.10149	9.7
111.08075	3.5
115.05443	1.1
117.07034	4.2
119.08582	18.2
121.06519	1.2
121.10148	73.3
123.08038	3.1
123.11719	1.0
125.09576	0.7
128.06242	1.9
129.06993	3.0
130.07803	1.2
131.08571	10.1
133.07579	1.9
133.10135	11.0
135.08060	22.7
135.11700	3.3
137.09639	6.7
141.06996	1.5
142.07782	3.8
143.08556	14.9
144.09305	2.6
145.06447	0.9
145.10130	15.4
147.07977	0.8
147.11670	3.4
149.09630	3.9
151.11183	1.1
151.38843	0.7
155.08528	3.0
156.09373	3.1
157.10144	19.2
158.10947	4.2
159.08075	1.5
159.11699	16.5
161.09602	2.1
161.13235	2.1
163.11154	3.8
165.12813	0.7
167.08510	0.7
168.09334	1.6
169.10126	8.3
170.10915	1.5
171.11699	10.4
173.09636	2.0
173.13260	22.3
174.14073	2.2
175.11145	1.9
175.14848	2.0
177.12767	1.9
181.10022	0.8
182.10895	1.5
183.11705	7.8
184.12486	2.6
185.13216	1.8
187.11153	4.9
187.14836	2.7
189.12741	2.2
196.12309	0.8
197.13290	8.2
199.14821	34.7
201.12775	6.8
209.13240	1.4
210.14139	0.7
211.14859	1.8
213.16388	11.5
214.17168	2.1
215.14502	1.3
215.17932	7.1
239.17955	11.5
257.08212	1.9
257.19012	100.0
257.26627	11.2
258.27805	1.3
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	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	1.5
55.01869	1.9
55.05514	6.3
55.05753	1.3
57.02412	1.2
57.03421	1.2
57.07079	1.6
59.38204	1.2
63.45422	1.2
67.05509	9.7
69.03430	2.1
69.07072	6.2
69.92893	1.4
70.46444	4.0
71.04984	3.5
76.82584	1.3
79.05492	8.9
81.07055	11.9
83.04992	1.5
83.08607	2.4
85.06538	1.5
88.07642	2.6
90.28817	1.3
91.05486	12.0
93.07043	20.2
93.63251	1.1
95.04963	5.3
95.08600	10.7
97.06535	2.4
97.10178	1.7
98.21387	1.5
99.08103	2.3
102.09229	1.4
103.05456	1.9
105.07037	28.7
107.08609	19.1
109.06512	4.7
109.10154	13.6
111.08094	5.7
115.05446	2.1
117.07011	10.4
118.93113	1.1
119.08592	25.7
121.10146	89.1
123.08057	3.8
123.11673	1.7
128.06178	3.5
129.06999	5.1
131.08568	14.3
133.07620	2.1
133.10132	9.6
135.07123	2.4
135.08061	28.3
135.11687	3.0
136.65521	1.2
137.09601	4.7
141.06944	1.6
142.07774	4.6
143.08577	17.4
144.09351	1.9
145.10126	24.6
147.11676	4.1
149.09633	5.1
155.08548	3.9
156.09328	2.8
157.10136	18.8
158.10890	1.9
159.11723	12.3
161.09575	1.9
161.13304	1.8
163.11174	4.5
169.10118	9.3
170.10803	1.4
171.11674	11.8
173.09666	2.3
173.13269	11.4
175.14838	1.5
177.12700	1.6
183.11705	10.4
184.12456	1.9
185.13223	2.9
187.11230	3.8
187.14845	2.8
195.11714	1.6
197.13330	7.6
199.14838	35.5
201.12737	4.5
211.07576	1.6
211.14909	2.5
213.16391	10.2
214.17091	2.3
215.17932	7.8
224.15495	1.4
229.06128	1.3
239.17969	15.9
257.08011	5.3
257.19012	100.0
257.26614	15.7
257.30389	2.7
258.27930	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.14517	1.4
55.05500	5.0
57.07073	3.3
67.05488	5.8
69.07082	10.2
70.06571	1.6
71.04985	2.9
71.53238	1.7
79.05495	3.6
81.07055	9.0
83.08611	2.6
85.06549	2.4
86.30927	1.5
88.18168	1.3
91.05471	5.5
93.07041	7.8
95.04977	2.5
95.08182	1.3
95.08627	15.5
97.06525	6.1
99.08105	1.7
105.07040	9.3
107.08589	6.0
109.06518	3.0
109.10160	8.3
111.08087	3.1
117.07027	4.6
117.75847	1.5
119.08588	9.1
121.10154	20.0
123.08080	2.4
123.11742	3.1
124.65221	1.2
128.06213	2.4
129.07054	4.5
130.07753	1.8
130.89659	1.2
131.08597	16.7
133.10136	11.0
135.08075	8.1
135.11697	3.8
137.09619	3.7
142.07779	4.6
143.08548	11.1
145.10133	21.5
147.11688	3.5
149.09671	2.1
155.08540	2.1
156.09285	2.5
157.10152	17.8
158.10902	2.1
159.11700	17.1
161.09673	3.5
161.13240	3.8
163.11203	2.0
168.09264	1.5
169.10146	5.8
171.11716	10.9
172.08911	1.5
173.09714	2.8
173.13266	13.5
175.11250	3.1
182.10947	1.7
183.11732	8.3
185.13272	4.2
187.11223	5.1
187.14810	4.3
189.12735	2.3
197.13275	6.7
199.11055	1.5
199.14824	15.2
201.12715	8.4
210.14096	1.6
213.16364	11.8
214.17239	3.6
215.14548	2.9
215.17958	15.6
224.15668	1.5
229.13344	1.7
229.19669	1.4
239.07080	1.9
239.18008	12.1
240.09685	1.6
242.05806	2.0
242.10387	1.7
257.07990	10.1
257.13162	2.9
257.19028	100.0
257.26675	9.6
257.29974	1.7
258.27969	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	258.1106
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
55.27753	0.5
60.07884	0.7
60.08165	8.5
62.36691	0.5
70.16187	1.6
71.07366	1.8
73.75980	0.6
86.09714	17.1
98.21519	0.6
98.98476	2.8
104.10750	100.0
105.11192	0.6
112.89621	1.5
114.89328	4.1
125.00011	22.0
136.94035	0.7
140.93034	0.6
159.94756	0.6
180.47038	0.5
181.96179	1.5
183.96107	0.7
184.07346	10.4
195.19453	0.6
257.89328	0.6
258.11050	23.7
278.10526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2218
Annotation	Aconitane
Peak:m/z	Relative Intensity
57.07076	0.3
69.27785	0.4
69.28194	1.0
79.05482	0.2
86.22570	0.2
95.31525	0.2
105.07040	0.2
106.06580	0.2
118.06574	0.4
122.53379	0.2
130.06514	0.8
131.07315	0.7
132.08080	0.2
136.47815	0.1
143.07318	0.5
144.08098	1.6
145.08856	0.9
146.09647	0.6
157.08897	0.3
157.10141	0.3
158.09645	1.7
159.10457	1.3
160.11258	0.7
172.11165	1.0
173.12042	1.0
174.12798	7.2
175.13576	0.3
186.12791	27.2
187.13629	1.7
188.14357	4.9
199.14920	0.4
200.14351	8.8
201.15131	1.8
202.15933	4.5
202.17372	0.1
214.15923	6.6
215.16707	1.7
216.17537	1.3
228.15343	0.1
228.17468	3.5
229.18224	0.5
230.18990	0.4
230.24696	0.2
242.19064	0.7
256.20715	0.3
258.22186	100.0
259.22598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
54.03455	0.2
55.01876	2.9
55.05513	3.3
56.05038	28.1
57.98802	0.4
58.06599	0.2
58.99588	9.6
60.04521	0.9
61.01153	1.9
62.00664	0.2
65.03940	0.3
67.05511	1.0
68.05029	4.6
69.05814	0.3
69.07080	0.5
69.62512	0.4
69.62907	1.0
70.02957	5.3
70.06597	0.5
70.99581	2.9
71.06120	0.3
72.08196	0.2
73.01149	2.3
74.00674	1.1
74.02440	1.6
74.06096	0.2
76.02232	1.6
76.04010	3.9
79.05493	6.6
80.05019	3.3
81.05814	1.3
81.07062	5.0
82.06580	1.5
83.08620	0.6
84.04509	5.8
84.08150	2.2
85.01133	15.1
85.04016	0.3
86.00658	10.0
86.02444	0.3
86.99062	5.0
87.02698	5.8
88.02220	2.9
88.04014	0.6
91.05476	0.5
93.05779	0.4
93.07046	1.4
94.06577	3.7
95.07340	0.6
95.08640	1.0
96.08134	4.4
97.01124	3.5
97.08929	0.8
98.09697	50.5
99.01415	0.2
99.02683	0.5
99.05572	1.4
100.02209	0.9
100.03989	0.3
100.11264	0.8
101.04225	0.2
102.03773	0.9
102.05546	11.3
105.07043	1.3
107.07343	0.4
108.08118	3.7
109.08912	1.2
110.09686	10.0
111.02692	0.6
112.03974	7.0
112.11286	0.2
113.04234	21.9
114.00147	0.4
114.03764	2.3
114.05485	0.9
115.05788	1.3
116.01682	19.6
116.03441	0.8
120.08077	0.3
122.09671	5.3
123.10473	1.7
124.11246	0.3
127.05794	0.5
130.05014	5.1
130.06866	5.8
130.08632	4.2
132.01137	0.5
138.09207	0.2
139.05775	1.9
143.02750	3.9
144.01144	3.7
145.06097	3.6
154.06831	0.3
156.08437	33.1
156.10207	42.4
160.00616	0.3
162.02208	5.1
167.05269	0.4
167.11777	0.3
171.02194	0.3
174.02307	0.4
177.03313	0.5
184.07927	0.9
188.03784	2.0
189.03285	3.0
190.06300	0.2
202.08882	0.3
213.10564	1.2
216.06905	12.0
231.06509	0.3
242.08450	3.5
259.11118	100.0
260.11426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04844	1.2
53.03949	3.1
55.01876	9.6
55.05516	15.1
56.05042	15.6
57.03432	3.4
57.07072	1.8
58.99597	9.0
60.04517	1.4
61.01141	1.4
65.74828	1.5
67.05514	7.3
68.05023	5.0
69.03442	2.3
69.07080	10.7
70.00642	1.4
70.06598	3.0
70.46255	1.6
71.04984	1.4
72.29430	1.4
73.01149	2.3
74.00684	1.9
76.02233	5.2
76.04012	4.4
79.05501	53.7
80.05029	7.1
81.03449	1.8
81.05793	1.5
81.07067	32.2
82.06588	9.9
83.08635	8.4
84.04514	17.3
84.08152	11.0
85.01139	99.4
85.04039	5.8
85.06554	6.4
86.00663	27.5
86.09721	5.9
86.99075	4.7
87.41460	1.4
88.02222	5.7
88.04041	1.8
91.05504	7.6
92.01691	1.8
93.07063	13.2
94.06565	9.9
95.04964	4.3
95.07356	2.9
95.08607	10.0
96.08148	12.6
97.01140	6.0
97.02901	2.6
97.06567	3.6
97.08916	10.8
97.10199	2.0
98.09705	33.0
98.97598	2.1
99.08105	3.3
100.02210	2.8
105.07025	10.6
107.07358	2.3
107.08607	4.6
108.08160	3.7
109.08916	5.0
109.10143	3.4
110.09701	16.3
111.02699	4.1
111.04447	1.7
112.03964	14.9
113.03553	3.9
113.04240	100.0
113.45556	1.3
114.03811	2.2
116.01692	23.4
119.04956	4.2
119.08601	4.0
121.10160	4.7
122.09668	11.5
123.10469	4.0
123.11788	1.6
130.05016	47.5
130.05968	2.7
130.07811	1.3
130.08627	8.3
131.04582	3.9
131.08589	1.5
133.10168	3.4
139.05699	7.5
139.11237	1.8
142.03258	8.4
143.02750	3.5
143.08603	1.5
144.01160	5.3
145.10124	2.2
146.11751	1.9
147.04436	11.0
147.11777	3.4
148.04767	3.2
149.02377	5.4
149.13258	4.3
155.08586	3.5
156.08452	79.5
156.10228	41.7
157.06544	2.1
159.11696	3.3
162.02220	7.9
167.14375	2.7
171.11697	1.8
177.03311	10.2
185.06114	1.8
185.13364	2.8
189.03311	9.7
193.08055	1.5
199.14931	1.8
201.16461	3.5
231.06549	3.6
241.08609	5.5
242.08456	21.0
246.89369	1.4
259.06174	11.5
259.11169	97.7
259.19193	7.0
280.39575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00384	0.5
56.05040	4.5
57.07079	1.8
65.03946	0.8
67.05513	4.5
70.93156	0.9
71.04994	1.0
71.92231	0.7
72.08163	2.6
74.02441	12.0
80.45599	0.6
84.04510	100.0
84.08150	55.3
85.02918	1.3
85.06572	1.2
86.09710	4.3
95.04971	5.6
102.05535	2.4
102.09184	7.9
112.07608	3.5
113.06015	8.7
115.55179	0.6
122.09681	0.8
125.12025	0.6
130.04222	0.5
130.05014	26.3
130.08649	65.7
138.09164	3.2
150.09114	2.9
168.10201	2.0
194.90556	0.7
196.09711	16.6
198.11298	1.3
213.12346	1.0
241.11868	0.7
242.10240	7.9
259.12921	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	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39475	1.3
56.05028	3.2
57.07062	1.5
67.05495	5.1
69.92516	1.3
70.06588	3.5
70.90338	3.6
74.02431	2.5
84.04507	93.8
84.08146	100.0
85.02913	2.4
86.09721	9.5
95.04958	10.3
102.05534	2.9
102.09193	3.1
112.07574	2.0
113.06010	13.4
130.05002	22.3
130.08643	85.7
134.57172	1.4
150.09145	3.0
152.18849	1.2
168.10150	1.5
196.09705	12.1
198.11313	2.5
224.60040	1.5
242.10278	12.9
259.12900	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09594	1.6
53.66707	1.4
54.75183	1.6
55.01872	2.4
55.05510	11.0
57.01875	1.5
57.07084	2.1
67.05509	13.5
67.57328	1.4
69.03428	2.5
69.07070	35.7
70.91266	2.8
71.04996	32.6
79.05482	5.8
81.07058	20.9
83.04974	5.9
83.08621	10.1
85.06545	22.3
91.05480	13.8
93.07056	17.6
95.04977	2.5
95.08607	24.7
97.06528	6.5
97.10159	2.9
105.03381	4.2
105.07037	26.0
107.08607	21.8
109.06500	12.1
109.10172	17.2
111.08083	18.6
111.33170	1.6
117.07018	6.9
119.08591	68.6
121.10149	16.3
123.08075	2.9
123.11718	34.0
129.01857	3.5
129.07014	3.6
130.07748	2.8
131.08566	14.0
133.10136	37.6
135.08063	23.0
135.11705	6.2
137.09618	5.8
142.07751	1.8
143.08569	9.4
144.09323	2.5
145.09052	3.0
145.10130	37.7
147.08096	1.9
147.11699	24.4
149.09593	3.5
151.11052	2.2
157.10103	13.9
159.10468	2.7
159.11707	34.6
160.12500	3.5
161.09644	1.9
161.13283	40.4
163.11269	3.5
170.10910	3.6
171.11726	15.4
173.13266	9.8
175.14836	100.0
176.15594	4.9
177.11386	1.6
177.12781	5.6
177.16365	3.4
185.13284	16.0
189.12682	4.6
189.16362	4.3
190.13489	3.7
199.14803	5.4
201.16391	27.7
203.14331	10.4
215.17955	6.7
217.19580	4.8
229.15887	1.9
232.49219	1.9
241.19533	18.3
259.20584	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.36619	2.8
53.46508	3.3
55.05515	31.0
57.03436	4.4
57.07072	8.3
57.09866	3.1
57.38152	3.1
61.36499	3.0
67.05504	17.6
69.06741	3.1
69.07078	43.5
71.04977	12.7
71.52753	3.1
72.20598	3.1
79.05502	16.0
81.07074	26.3
83.04984	25.9
83.08624	7.2
85.06527	13.2
91.05487	29.3
93.07057	23.8
95.08603	25.1
99.08064	4.4
105.03434	8.4
105.07041	59.0
107.08606	18.8
109.06498	8.8
109.10180	3.7
117.07021	12.6
119.08601	47.8
121.10132	13.4
123.08027	5.0
123.11727	5.6
128.06259	4.8
129.01854	3.8
129.07002	14.7
131.08594	23.2
133.06509	3.7
133.10138	44.5
135.08017	4.9
135.11711	3.7
142.03241	5.4
142.07735	4.7
143.08577	9.3
145.10112	17.5
147.07986	4.9
147.11714	18.1
149.09688	6.6
149.13286	8.8
150.84935	3.2
155.08553	4.3
157.10147	19.6
159.11702	7.0
161.09602	13.0
161.13242	22.3
163.14783	5.9
171.11633	12.0
173.13303	7.6
175.11224	7.5
175.14853	24.4
183.11728	4.5
185.13213	8.3
187.14844	8.9
189.12697	7.2
189.16376	7.8
199.14825	13.9
201.16406	8.7
203.14304	11.4
217.15845	6.2
220.29686	3.3
223.60150	3.1
231.21025	24.6
241.19502	18.8
259.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01866	2.2
55.05513	12.8
57.07061	2.9
66.60098	1.6
67.05499	9.0
69.06737	2.7
69.07073	34.7
69.16619	16.5
71.05000	29.0
79.05476	4.7
81.07054	21.5
81.49640	1.9
83.04995	4.4
83.08640	10.3
85.06549	25.3
90.66116	1.7
91.05482	11.2
93.07054	16.5
95.04987	2.3
95.08623	17.7
97.06518	4.5
105.07034	28.7
107.08603	24.1
109.06519	11.6
109.10159	17.6
111.08091	19.5
117.07007	9.8
119.08589	63.1
121.10133	15.0
123.11710	25.2
129.07005	3.2
130.07796	3.1
131.08569	13.4
133.10136	38.9
135.08057	20.3
135.11664	4.7
137.09624	3.4
142.07759	2.5
142.27524	1.7
143.08539	7.8
144.09286	3.3
145.10124	33.8
147.11694	18.3
149.09610	3.2
149.13245	2.4
151.11249	2.0
156.09338	4.6
157.10118	11.8
159.11707	32.8
160.12445	3.3
161.09549	2.1
161.13272	42.7
163.11163	5.5
171.11691	14.3
173.13255	9.0
175.11259	3.8
175.14838	100.0
176.15633	5.6
177.12737	3.6
177.16353	5.1
185.13271	16.8
189.12761	3.7
189.16379	8.4
190.13597	4.5
199.14832	5.3
201.16383	27.7
203.14296	7.3
213.16440	2.0
215.17970	5.5
217.19484	3.6
241.19548	17.3
259.20584	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.57146	1.6
53.03946	1.4
55.01873	2.6
55.05512	11.4
57.03430	1.9
57.07079	8.8
60.05005	1.5
62.30003	1.3
67.05510	21.2
69.03423	5.8
69.07066	13.8
70.72370	1.4
71.04994	3.8
71.52744	2.3
79.05499	7.4
80.04974	1.3
81.07059	13.5
83.04971	4.1
83.08611	5.3
84.04485	3.2
84.08183	2.9
85.06549	100.0
86.09680	1.4
91.05495	9.3
93.07044	12.1
93.34538	1.3
95.04961	2.0
95.08618	19.7
97.02924	1.6
97.06559	1.7
98.97571	2.6
99.08099	69.1
105.07034	32.5
107.08603	12.2
109.06525	5.6
109.10151	8.6
111.08036	2.5
113.09645	2.5
116.98543	1.3
117.07013	5.3
119.04920	1.7
119.08585	39.4
121.06512	2.0
121.10148	28.7
122.06094	1.7
123.08053	2.4
123.11710	3.7
125.09601	6.3
128.06230	2.0
129.05482	1.3
129.06956	1.8
130.08659	1.5
131.08591	8.6
133.10144	32.2
135.08032	2.9
135.11755	2.1
137.09654	1.6
139.11201	5.9
141.07022	1.7
142.03261	3.4
142.07768	3.2
143.08566	6.6
145.10126	21.2
147.08096	2.0
147.11694	29.2
151.11206	1.7
156.09372	3.1
157.10156	16.1
159.11700	22.5
159.12909	2.5
161.09586	4.6
161.13248	6.0
165.12790	5.7
170.10910	4.3
171.11687	11.4
173.13318	7.7
175.11151	1.9
175.14828	9.1
179.14323	3.5
185.13268	20.6
186.14114	1.9
189.12738	3.3
189.16370	3.1
199.14790	13.3
201.16382	48.2
203.14346	9.6
217.15950	1.8
241.19492	15.9
259.05908	1.7
259.13507	1.6
259.20584	65.9
261.43057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38736	0.5
51.70577	0.7
53.25056	0.5
55.05514	12.5
56.05037	1.7
57.07076	20.7
58.06598	1.6
60.04524	0.9
62.12981	0.6
67.05505	1.1
69.07066	0.7
70.06599	1.2
70.49902	1.0
70.50241	1.0
73.93088	0.6
74.02440	11.9
79.05498	0.7
81.07056	1.5
83.08626	2.7
84.08144	6.2
85.02847	0.6
86.09708	2.0
87.08109	100.0
88.03984	4.1
95.04974	0.9
97.02873	1.3
100.03974	1.7
101.09654	7.3
102.05545	19.3
102.09248	0.6
110.09678	2.3
112.11246	0.7
113.06004	0.9
115.49858	0.5
116.01724	1.0
120.51524	0.5
125.43675	0.6
128.10712	1.4
130.08652	8.7
144.01176	1.0
146.79408	0.6
147.04477	0.7
156.10204	11.1
158.08168	1.9
160.57167	0.6
162.02209	1.2
174.11269	22.5
174.12775	1.2
188.12830	2.5
228.16006	5.9
242.17496	1.0
260.06357	1.6
260.18582	33.4
280.85098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
62.76185	0.1
69.84861	0.5
69.85281	0.3
82.99864	0.5
86.61974	0.1
89.47035	0.1
98.97602	0.2
101.00884	4.5
102.01021	0.2
111.00337	0.1
119.01929	5.0
120.01978	0.2
122.97770	0.2
134.99832	0.2
137.02965	0.3
140.98817	1.0
149.02322	0.6
149.03419	0.3
158.99896	2.8
161.02916	0.2
175.03003	0.4
177.00963	10.6
178.01163	0.1
181.02034	0.2
182.99898	1.4
193.04053	0.1
199.02969	0.3
201.00951	3.4
201.02806	0.2
201.50941	0.2
202.01051	0.3
217.04115	2.3
219.02016	17.2
219.20914	0.1
220.02197	0.2
221.01872	0.2
225.00865	2.6
234.00650	0.2
236.98586	0.1
237.98787	1.7
238.01155	0.2
238.98392	0.2
242.03477	0.2
243.02000	14.0
244.02177	0.1
261.03070	100.0
262.03284	1.1
263.03571	0.4
266.03674	0.3
284.04648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0758
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
57.07074	2.4
58.07436	0.7
65.03943	2.2
67.05517	1.0
68.99790	1.4
69.77532	3.1
70.06606	3.6
71.08649	1.0
79.05444	0.6
81.07044	1.0
85.02898	0.8
85.10213	0.7
86.90503	0.6
88.07629	4.8
91.05466	1.5
93.07050	0.7
95.04935	0.8
95.08627	1.1
97.02869	0.8
102.09176	1.8
103.05486	1.0
105.06982	0.9
106.08670	3.5
115.05474	2.0
117.07034	0.8
121.02888	0.8
128.06230	4.4
129.06993	1.4
131.04959	1.2
131.08559	2.5
139.03947	0.6
141.06999	3.4
143.08659	0.7
144.05717	1.0
145.06483	3.5
149.02342	10.1
149.03479	2.2
153.57999	0.6
155.06047	0.7
157.06512	1.0
159.04413	18.5
159.08101	2.6
169.06496	4.7
171.04369	1.0
172.05205	2.3
173.05937	0.9
183.04395	2.6
185.05984	2.2
187.07561	8.8
197.05998	3.9
198.06740	0.6
200.04697	33.0
214.06229	2.0
215.07030	62.1
233.08046	2.1
242.24773	1.5
243.06534	95.3
243.25040	1.4
260.25858	23.1
260.28632	1.1
261.07587	100.0
261.14948	3.3
261.26187	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	2.8
55.05317	0.8
55.05517	9.9
57.07066	4.4
65.03927	3.4
67.05511	36.5
67.73962	0.9
69.07075	11.6
71.08624	1.1
79.05500	45.1
79.05971	2.1
81.07060	41.0
83.04963	1.2
83.08171	1.2
83.08619	6.5
85.06535	3.2
91.04984	1.6
91.05491	22.1
93.07052	58.5
95.04953	3.0
95.08614	26.8
95.09238	0.9
97.06534	3.1
97.10146	1.6
99.08095	2.4
105.07031	15.0
107.08601	41.4
109.06528	1.4
109.10164	11.9
111.08083	3.1
112.14921	0.9
112.62931	0.8
113.09636	1.0
117.07016	4.8
119.08599	12.7
121.10155	33.7
123.11697	3.8
131.08591	14.1
133.10152	10.8
135.10707	1.4
135.11708	26.9
137.09612	2.0
145.10146	10.0
147.11694	9.9
149.02367	7.7
149.03416	1.8
149.13268	21.1
151.11206	1.0
151.14792	1.1
159.11674	9.0
161.13257	10.6
163.14847	14.4
165.17464	0.9
173.13280	8.4
175.14810	3.1
177.16362	3.8
179.14346	1.9
187.14885	4.6
189.16249	0.9
194.07533	1.2
201.16406	3.1
215.17845	1.7
219.17393	1.1
231.07965	0.9
233.22551	1.3
243.21130	27.1
261.22159	100.0
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	Dinortrixagone
Peak:m/z	Relative Intensity
51.02396	0.3
53.03412	0.2
53.03935	1.7
55.01881	0.6
55.05514	8.5
57.03434	1.0
57.07077	2.6
65.03928	1.2
67.05508	30.4
69.03432	0.2
69.07072	8.9
69.26514	1.5
69.26917	0.5
69.97631	0.2
71.04988	1.4
71.08628	0.7
77.03942	0.8
79.05498	38.4
81.07061	33.6
83.05000	0.7
83.08145	0.4
83.08622	6.0
85.06545	2.5
85.10187	0.3
91.05484	19.9
93.07049	52.8
95.04972	2.4
95.08612	25.9
97.06543	2.2
97.10178	1.9
99.08102	2.5
105.04538	0.9
105.07038	13.0
107.08600	36.0
109.06542	0.8
109.10164	10.6
111.08099	2.0
111.11756	0.5
112.30082	0.2
112.32912	0.2
113.09650	1.4
116.63105	0.2
117.07024	4.5
119.06074	0.3
119.08590	11.5
119.68987	0.2
121.10147	30.4
123.08084	1.1
123.11720	3.4
125.09652	0.8
127.11190	0.3
129.07065	0.3
131.07587	0.5
131.08575	10.7
133.10138	10.0
135.08118	0.5
135.11699	25.9
137.09605	0.9
137.13268	1.2
139.11229	0.4
145.10130	10.7
147.11693	8.3
149.02304	0.5
149.09634	0.4
149.13269	20.6
151.11192	1.1
151.14806	1.0
153.12794	0.5
159.11703	7.2
161.13263	8.4
163.11183	0.5
163.14830	15.1
165.12770	1.1
167.14381	0.4
171.11568	0.2
173.13274	8.1
175.14816	3.5
177.12894	0.4
177.14847	0.2
177.16389	5.0
179.14328	1.3
187.14815	5.6
189.16382	0.6
191.14308	0.5
193.15900	0.5
201.16391	2.5
203.17935	0.3
205.15927	0.7
215.17972	1.3
217.19614	0.3
219.17508	0.7
230.45108	0.2
233.22652	1.0
243.18480	0.4
243.21101	24.9
261.22134	100.0
262.22452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03954	1.3
55.01875	0.5
55.05519	8.7
57.03436	0.8
57.07080	2.7
58.23412	0.2
59.05011	0.2
61.43536	0.2
65.03939	1.1
67.05513	26.1
69.07076	7.5
69.07452	0.3
71.05010	1.5
71.08637	1.0
77.03945	0.6
79.05502	36.0
81.03423	0.3
81.07067	31.8
83.04987	0.7
83.08628	5.1
85.06551	2.7
91.05489	16.7
93.07054	47.8
95.04971	2.0
95.08617	25.1
97.06548	2.2
97.10186	2.3
99.08099	2.9
103.05456	0.2
105.04545	0.8
105.07043	12.7
107.08606	32.7
109.06541	0.9
109.10167	10.7
111.08092	2.3
111.11719	0.6
113.09656	0.9
117.07024	4.6
119.06093	0.5
119.08594	11.6
121.10158	30.6
123.08076	1.1
123.11715	3.7
125.09657	1.0
127.11205	0.5
129.07060	0.3
130.07802	0.3
131.08585	9.9
133.10143	9.0
135.11707	24.5
135.99525	0.2
137.09599	1.0
137.13266	1.5
139.11205	0.7
145.10139	10.4
147.11703	9.1
149.02342	0.6
149.09624	0.6
149.13275	20.2
151.11208	0.8
151.14859	0.6
153.12743	0.6
159.11708	8.0
161.13277	9.1
163.11229	0.4
163.14839	15.9
163.41484	0.2
165.12766	1.0
167.14354	0.4
171.11659	0.3
173.13284	7.4
175.14857	3.4
177.12733	0.4
177.16400	4.8
179.14348	0.9
185.13304	0.4
187.14839	5.7
189.16443	0.6
191.14354	0.5
201.16374	2.6
203.17947	0.5
205.15964	0.6
215.17920	1.3
217.19617	0.6
219.17461	0.5
233.22714	1.2
243.21106	26.5
261.22162	100.0
262.22522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03951	1.5
55.01876	0.8
55.05514	10.4
55.92855	0.2
57.03439	1.3
57.07083	3.4
65.03951	1.2
67.05508	30.8
69.03419	0.3
69.07071	10.3
71.04999	1.8
71.08631	1.1
77.03947	0.9
78.04723	0.2
79.05497	41.0
81.03452	0.3
81.07060	35.4
83.04993	0.6
83.08621	5.8
85.06553	2.8
85.10191	0.4
91.05486	20.1
93.07049	58.9
95.04990	2.1
95.08612	27.2
97.06535	2.7
97.10172	1.7
98.21552	0.4
99.08097	3.6
103.05487	0.5
105.04514	1.0
105.07040	13.9
107.08601	36.1
109.06506	1.3
109.10165	11.6
111.08094	2.3
111.11726	0.6
113.09652	1.1
117.07024	4.5
119.06110	0.6
119.08587	11.9
121.10151	32.9
121.81754	0.3
123.08074	1.4
123.11716	4.0
125.09636	0.9
127.11192	0.3
129.06964	0.4
130.07765	0.3
131.08575	12.0
131.14850	0.2
133.10146	10.2
134.74091	0.2
135.11699	27.2
137.09621	1.1
137.13254	1.3
139.11162	0.6
143.08578	0.5
145.10132	10.9
147.11700	10.0
149.02327	1.0
149.03374	0.3
149.09636	0.7
149.13264	22.9
151.11185	0.8
151.14717	0.6
153.12740	0.8
159.10706	0.2
159.11702	7.3
161.13264	9.7
163.11235	0.5
163.14830	18.4
165.12776	0.9
173.13277	8.0
175.14838	4.1
177.12918	0.6
177.16393	4.9
179.14337	1.1
180.21663	0.2
187.12120	0.2
187.14825	6.5
189.16412	1.0
191.14337	0.4
201.16403	2.3
202.06822	0.3
205.15843	0.6
215.18054	1.3
217.19579	0.6
219.17415	0.8
233.18983	0.3
233.22600	1.3
243.21100	25.0
249.88568	0.2
261.22150	100.0
262.22406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01881	0.6
55.05515	10.1
57.03434	1.1
57.07084	3.2
58.35807	0.3
58.42743	0.3
65.03945	1.1
67.05509	31.5
69.07074	8.9
69.30167	2.5
71.04994	1.8
71.08630	1.0
77.03933	1.0
79.05498	41.5
79.73757	0.3
79.74216	0.3
81.03383	0.4
81.07063	35.5
83.04979	1.3
83.08626	5.4
85.06554	2.4
85.10166	0.7
91.05485	20.3
93.07049	57.1
95.04975	2.5
95.08614	27.4
95.96318	0.3
97.06534	2.8
97.10182	2.2
98.21480	0.4
99.08111	2.5
103.05490	0.5
105.04522	0.8
105.07037	14.3
107.08601	38.2
109.06539	1.4
109.10162	12.1
111.08094	2.2
111.11750	0.6
113.09656	0.7
117.07015	5.1
119.06081	0.5
119.08589	12.1
121.10152	35.2
123.08095	1.1
123.11713	4.5
125.09610	0.8
127.11236	0.3
129.06935	0.4
131.08583	11.7
133.10136	11.2
135.11702	27.9
137.09628	1.3
137.13258	1.3
139.11232	0.5
144.09456	0.3
145.10132	10.4
145.11278	0.5
147.11702	9.2
149.02368	1.3
149.09601	0.7
149.13268	23.0
151.11174	1.0
151.14861	0.7
153.12807	0.6
153.66565	0.3
159.11699	9.0
161.13269	10.0
161.14621	0.5
163.11166	0.4
163.14835	16.7
165.12787	0.9
173.13278	7.7
175.14836	4.0
177.12846	0.5
177.16400	6.1
179.14272	0.9
187.14816	5.7
187.16435	0.3
189.16364	0.8
191.14380	0.3
193.15880	0.4
201.16367	2.6
203.18004	0.6
205.14122	0.6
205.15891	0.7
215.17960	1.5
217.19585	0.4
219.17413	0.9
233.22623	1.1
243.18524	0.7
243.21101	29.9
261.22141	100.0
262.22635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1075
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
57.07051	0.9
58.06590	0.7
65.03931	0.7
67.05521	0.6
69.07051	1.5
70.06566	0.9
71.52762	0.6
79.05476	1.0
80.05019	0.8
81.07027	1.1
82.06561	0.6
88.07622	1.6
102.09197	0.7
108.08122	2.6
118.64422	0.6
121.02885	0.9
124.07578	0.9
129.71440	0.6
131.04820	0.7
132.08098	1.3
136.03949	1.4
136.07541	2.0
146.06038	0.8
149.02371	5.2
150.02702	0.6
150.09178	0.9
152.03394	1.1
154.04974	1.8
160.07597	2.1
164.03384	0.9
174.09146	1.3
176.03441	2.3
178.08717	1.1
182.04503	0.8
187.06291	0.8
192.06477	0.7
194.04510	2.0
200.20132	1.7
202.08563	1.6
202.12335	1.0
214.21793	0.7
215.05830	2.7
216.06578	6.4
216.10164	1.4
218.04558	0.6
220.09717	1.7
226.08684	1.0
233.06870	1.7
234.07611	7.0
244.07220	1.1
244.09708	16.5
244.12125	1.2
262.10760	100.0
262.23779	6.0
262.26437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01880	2.4
55.05513	7.5
56.05041	4.9
56.96568	0.9
57.03432	1.7
57.05373	1.0
57.98798	0.7
58.99588	9.6
60.05647	0.8
60.99159	2.4
61.01141	1.0
67.05504	1.4
68.05013	1.1
68.55186	0.6
69.03432	0.9
69.07082	0.8
69.44579	2.1
69.45006	3.0
70.02956	0.9
70.06594	3.2
72.08160	4.3
72.93819	1.0
73.01128	1.2
74.00664	2.5
76.02228	1.2
76.04033	1.0
79.05494	3.8
80.05014	1.2
81.07056	11.8
82.07387	0.9
83.08615	4.0
84.04491	1.1
84.08121	1.8
85.01139	7.4
85.02920	3.4
86.00657	27.1
86.09705	5.9
86.99055	5.3
87.00704	0.9
87.02699	7.9
88.02224	3.6
88.04002	3.0
88.98615	1.8
89.02261	0.8
91.05479	1.2
93.07065	1.1
95.08631	5.5
98.09692	7.3
98.97543	0.8
99.08105	2.1
99.10014	2.2
101.04224	1.7
105.00097	1.2
105.07018	0.9
108.08176	0.7
110.09713	1.2
111.02623	1.0
112.04018	0.7
113.04246	10.1
115.03794	1.0
116.01692	9.0
116.04096	0.9
116.07095	2.4
118.01255	4.8
120.08109	5.7
121.08453	1.0
122.02701	1.1
122.09657	2.3
123.08079	1.9
129.07343	4.9
130.04997	1.5
131.01651	1.5
132.01158	37.9
132.10204	0.9
132.95810	0.7
136.07529	0.9
139.05798	2.3
144.01180	4.2
146.00693	1.7
146.02682	1.0
147.04416	1.3
149.02344	2.1
150.02629	1.7
150.56055	0.8
156.08434	51.6
157.10533	2.2
158.07968	1.1
159.03442	1.2
159.04765	25.4
159.08337	2.4
162.02226	9.3
164.01773	2.0
185.06262	0.7
186.14972	0.9
192.03217	0.8
192.97984	0.9
198.09491	18.9
202.08972	100.0
210.99188	2.8
216.10547	67.8
219.06807	1.4
229.00183	6.5
230.07962	0.8
234.99048	1.1
244.10010	6.4
247.01431	1.0
256.99713	2.8
262.11078	84.6
262.14355	2.8
275.00760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.19617	0.5
56.26886	0.4
57.07078	1.3
57.23576	0.3
70.06593	2.7
70.76987	0.8
70.77346	1.0
71.08621	0.6
75.16192	0.4
87.04472	27.6
88.07629	2.8
102.97240	0.3
114.09177	1.3
117.47531	0.4
118.06546	9.9
118.08646	0.6
122.83480	0.5
132.08099	3.5
132.10213	4.4
133.08902	1.5
134.09651	0.7
146.09662	3.7
150.11272	3.7
176.14355	68.2
197.57178	0.4
218.21173	1.1
222.99667	0.4
262.18033	100.0
262.23776	20.7
263.18488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87407	0.2
57.07063	0.9
70.06592	1.5
71.08617	0.4
87.04472	25.1
88.07645	1.4
89.52414	0.3
114.09145	0.8
118.06550	9.0
132.08109	2.1
132.08963	0.3
132.09268	0.3
132.10197	2.4
133.08847	1.0
134.09645	0.8
146.09615	2.4
147.10431	0.5
148.04739	0.4
150.11263	2.4
176.14351	59.3
204.10205	0.4
218.21155	0.7
262.18027	100.0
262.23755	12.3
263.18436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05211	7.8
69.80392	31.2
69.80801	12.0
76.76481	7.2
90.59594	7.3
98.21423	9.5
123.81539	7.0
130.97058	7.1
172.34207	7.2
263.01645	100.0
263.05331	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27197	10.3
70.64196	17.5
87.68179	10.5
88.63243	10.2
125.23461	10.5
152.62906	9.6
191.63574	10.6
263.01651	100.0
266.45605	10.9
272.35403	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	263.0916
Annotation	Nigrolineabiphenyl A
Peak:m/z	Relative Intensity
53.03948	1.2
55.01876	16.0
55.05508	4.5
55.41706	1.1
57.03443	2.3
57.46149	1.0
57.80988	1.0
65.03947	2.7
67.01864	2.1
67.05508	5.4
68.99783	1.8
70.06594	2.6
70.13755	4.4
71.01350	1.5
71.04990	1.3
72.08128	1.1
79.05495	8.3
81.03397	2.6
81.07063	6.2
83.04982	2.0
83.08617	1.5
84.04494	1.3
85.02901	4.3
91.05482	15.9
93.03405	1.2
93.07067	6.8
95.04976	4.5
95.08613	9.0
97.06549	2.8
98.20910	1.6
99.04490	1.1
103.05495	5.7
105.03406	3.8
105.07034	19.1
107.04970	4.3
107.08617	2.9
109.02895	4.7
109.06542	3.8
111.04465	2.8
115.05479	3.2
117.07008	1.9
119.04936	8.3
119.08580	6.0
120.08124	1.7
121.02849	8.4
121.06557	1.3
123.04469	5.1
123.08077	11.0
124.05261	1.7
125.02366	7.0
125.07147	1.6
128.06223	5.9
129.07056	6.1
130.06523	1.7
130.07761	1.3
131.04903	2.6
131.08582	3.5
133.02855	1.7
133.06500	19.1
133.10129	2.3
135.04440	2.0
135.08104	3.1
137.02356	12.2
137.05957	5.0
139.03902	19.4
143.08568	4.3
145.06467	1.4
145.10167	1.3
147.03232	2.2
147.04417	42.5
147.08032	9.7
149.05981	1.7
151.03931	5.6
151.07538	14.6
153.01842	4.4
157.06497	7.5
161.05994	14.6
161.09630	4.3
163.03906	1.9
165.05484	86.9
165.09116	2.3
169.08624	2.4
171.02992	1.9
171.04407	3.3
171.08070	4.8
173.09613	1.3
175.03891	6.1
175.07538	22.8
177.05496	2.4
179.03426	3.6
179.07040	15.6
181.06657	1.1
182.61238	1.1
185.05884	1.5
187.15355	1.8
189.05521	2.6
189.09126	11.8
191.10667	1.7
193.04985	28.6
193.08591	13.3
197.08063	3.2
199.03925	4.4
199.07631	6.0
203.07031	10.4
207.10153	9.6
217.05080	2.3
217.08586	20.3
221.04460	21.5
221.08041	11.2
227.03503	1.3
227.07022	2.4
235.09630	20.9
245.04436	3.8
245.08058	11.1
245.15540	1.4
263.05554	43.9
263.09171	100.0
263.16486	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50434	0.6
53.03944	1.2
55.01874	3.1
55.05265	0.7
55.05511	7.9
56.51867	0.6
57.03437	1.2
57.65406	0.5
59.04711	0.9
59.05001	10.0
60.08155	1.1
67.05497	1.3
68.99785	0.7
69.03419	2.5
70.06590	1.9
70.88251	1.4
71.04990	1.4
72.08134	0.6
73.02901	0.9
74.06078	0.6
79.05500	1.4
81.03424	1.1
81.07059	2.0
83.04983	71.2
84.04522	1.2
84.08141	2.0
85.02905	13.0
85.06586	0.7
86.09718	1.0
87.04457	0.7
91.05492	2.8
93.07036	1.6
95.04960	0.8
95.08606	4.4
95.84882	0.6
97.02899	2.6
97.06532	0.8
101.06020	100.0
105.07025	3.3
107.04918	1.1
107.08553	0.8
109.02850	1.1
109.06512	1.7
111.04444	0.6
115.05444	0.8
120.08109	1.7
121.06470	0.9
122.07169	0.8
123.04401	0.8
123.08084	4.6
125.02339	1.9
127.03921	2.5
129.07018	1.1
130.06532	2.3
131.04865	1.0
133.06509	6.1
133.07483	0.7
134.09666	3.4
135.04443	1.6
136.07573	0.8
137.02324	1.1
137.05995	0.7
143.08539	0.8
145.04956	1.9
146.06042	1.0
147.04503	1.1
147.08080	0.7
149.05922	0.9
151.07541	7.3
153.01871	0.9
158.06046	2.2
161.06000	2.3
161.09619	0.6
167.03326	0.7
169.08621	2.1
171.02991	0.8
175.07445	0.9
177.05498	3.1
179.07056	3.0
185.05672	0.6
186.05406	1.1
189.09087	0.7
191.10599	0.6
193.08614	6.0
197.08112	3.9
199.03937	1.0
199.07640	1.2
203.07072	1.7
204.06586	1.0
204.09393	0.6
209.11789	1.4
214.11020	1.1
217.08670	1.7
217.13512	0.8
221.08084	6.8
227.09189	0.9
235.09650	8.0
245.04526	1.6
245.08119	1.7
245.10387	1.3
245.12839	3.8
263.05588	10.3
263.09241	9.6
263.13815	6.2
263.16434	1.0
264.12216	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	263.139
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
68.05055	0.4
69.62090	2.3
70.06594	30.6
70.80124	0.3
72.63351	0.3
74.20736	0.4
76.02962	0.4
79.05487	0.6
79.99891	0.4
80.45334	0.4
84.08169	0.5
85.02901	0.4
86.09704	0.7
91.05455	1.2
93.07033	2.1
95.08617	2.2
100.07164	0.4
103.05466	5.5
105.07070	0.4
113.09654	0.7
114.05517	0.4
116.07092	85.0
120.08103	100.0
123.08065	0.9
129.04863	0.4
130.06546	1.1
133.06526	0.5
146.34917	0.4
152.51138	0.4
157.07622	1.2
158.06088	0.9
158.44238	0.3
175.08707	0.7
204.06607	0.4
212.54152	0.4
246.11378	0.5
263.05655	1.1
263.13922	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	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03938	2.4
55.01873	6.3
55.05513	40.9
57.03426	1.2
57.07085	2.1
59.04969	1.6
65.03934	2.0
67.05499	5.1
69.03419	4.5
69.07066	4.7
71.04997	3.4
71.10860	2.4
79.05508	9.8
80.45129	1.2
81.07057	36.2
83.04982	3.2
83.08620	100.0
87.04488	1.4
91.05485	15.0
93.07051	18.4
94.04180	5.6
95.04964	10.3
95.08630	8.4
97.06526	8.4
105.07013	7.3
107.04944	4.1
107.08599	33.6
109.06522	81.2
109.10143	1.7
111.08081	17.6
113.09621	5.9
119.04937	5.3
119.06100	2.9
119.08562	4.1
121.06535	2.5
121.10158	5.4
123.08068	6.1
125.09650	12.4
131.08597	2.3
133.10141	6.7
135.08020	1.3
135.11740	2.4
137.05983	22.8
137.09644	1.8
139.11195	18.8
142.15048	1.4
143.08597	1.5
145.09081	1.5
145.10127	6.2
149.09567	3.2
153.09120	8.4
159.11697	10.2
161.09595	5.1
161.13264	2.6
162.71606	1.1
163.07559	1.9
163.11143	2.7
171.10219	1.3
175.14796	2.2
177.12767	3.7
179.10576	1.6
181.12241	16.7
185.13261	4.2
187.11197	10.4
203.14336	8.4
205.12222	16.6
216.47141	1.4
221.15388	20.5
245.15370	4.1
263.08978	2.4
263.16492	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	1.7
55.01867	1.0
55.05512	16.6
57.06826	1.0
57.07079	12.0
65.03929	1.8
67.05508	85.9
68.90086	0.8
69.06727	1.2
69.07071	16.1
69.31548	6.7
71.04971	1.8
71.08629	6.3
79.05070	1.4
79.05495	20.0
80.78613	0.7
81.07059	100.0
83.04980	2.4
83.08621	14.4
85.06528	3.2
85.10170	3.6
91.05481	19.7
93.06491	1.9
93.07045	23.0
95.04943	1.4
95.08610	95.3
97.06548	8.0
97.10168	6.1
99.08104	5.4
105.07034	9.0
107.08593	14.4
109.06486	1.2
109.10160	47.4
111.08079	5.8
111.11726	1.4
113.09627	4.5
119.08585	14.4
121.10148	16.6
123.08065	3.2
123.11721	21.4
125.09632	1.4
127.11185	2.3
133.10146	14.1
135.11708	10.6
137.09627	2.1
137.13272	8.2
139.11153	1.1
141.12744	2.5
147.11687	12.2
149.13268	10.4
151.11218	1.9
151.14821	6.8
155.14204	1.6
161.13245	10.1
163.14832	9.2
165.16400	9.3
175.14861	8.7
177.16344	2.3
179.17920	4.1
181.15872	1.4
189.16330	4.1
203.17963	2.1
207.17339	1.2
217.19595	1.1
219.21071	0.9
221.19002	0.9
228.98849	0.8
240.02319	0.9
245.22658	41.4
247.11546	1.0
263.14639	11.0
263.23715	96.4
264.24396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.20785	0.7
52.04471	0.6
53.03951	1.4
55.01866	0.8
55.05516	14.6
57.03443	1.3
57.06831	0.8
57.07086	11.2
65.03952	2.6
66.21001	0.6
67.05511	78.5
69.07077	15.4
69.64225	3.8
71.04992	1.5
71.08643	6.0
79.05141	0.4
79.05499	20.4
81.07066	100.0
83.04988	2.3
83.08633	14.4
85.06542	3.9
85.10187	3.1
91.05495	15.6
93.07056	24.5
93.07642	1.5
95.04986	1.1
95.08617	84.4
97.06550	6.8
97.10186	6.4
99.08075	5.6
105.07055	10.7
107.08601	15.0
109.06551	1.5
109.10170	42.2
111.08112	4.7
111.11703	1.3
113.09669	2.9
119.08599	14.6
120.77308	0.7
121.10160	16.9
123.08087	3.4
123.11725	20.7
125.09637	1.4
127.11215	1.6
131.08635	1.0
133.10147	15.6
135.11725	9.1
137.09601	2.2
137.13293	6.7
139.11226	1.2
141.12747	1.7
143.08546	1.7
147.03003	0.9
147.11696	9.6
147.12798	0.8
149.13272	9.1
151.11273	0.9
151.14854	8.3
155.14326	1.9
157.10152	0.8
161.13303	12.1
163.14853	8.8
165.12793	0.7
165.16408	10.1
167.14412	0.7
175.14857	7.3
176.44057	0.7
177.16409	2.2
179.08551	0.7
179.17998	4.8
181.15964	1.5
189.16409	3.7
203.17998	1.4
206.10933	1.8
207.11638	1.0
217.15956	0.8
217.19562	2.4
219.11771	1.4
220.12550	0.8
221.13341	1.9
233.13252	2.5
245.22678	35.6
248.15614	2.0
263.18103	9.7
263.23727	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.5
55.01881	1.2
55.05515	15.1
57.03439	2.2
57.07086	10.1
65.03947	2.0
67.05513	82.0
69.07077	16.0
70.10742	2.1
71.05009	1.8
71.08633	6.5
79.05502	20.6
81.07066	100.0
83.04985	2.0
83.08627	11.6
83.93034	0.7
85.06557	4.8
85.10200	2.6
91.05489	16.5
91.06020	1.2
92.35017	0.7
93.07055	22.4
95.04996	1.3
95.08617	81.5
97.06548	8.4
97.10185	5.9
97.14787	0.7
99.08105	4.8
102.97330	0.7
105.07044	11.0
107.08606	14.1
109.06516	0.9
109.10167	39.5
111.08110	4.1
111.11753	0.9
113.09655	2.6
119.08594	12.9
121.10154	15.6
123.08076	2.1
123.11726	17.3
125.09652	1.3
127.11266	1.3
133.10139	14.4
133.11110	1.2
135.11707	9.6
137.09647	2.3
137.13277	7.5
141.12761	1.8
147.11690	10.0
149.13286	8.9
151.02687	0.8
151.11232	1.0
151.14825	8.0
153.12794	0.8
155.14343	2.3
161.13277	11.0
163.14830	7.7
165.12816	0.9
165.16420	11.4
167.14441	0.8
174.93491	0.7
175.14813	6.3
177.16425	2.0
177.84293	0.7
179.17953	5.0
181.15900	1.2
184.71048	0.7
189.16449	3.7
203.17892	1.6
211.76273	0.7
217.19612	0.9
245.22673	34.4
263.23737	77.5
277.77621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1233
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
52.95322	0.3
57.03441	4.4
59.24969	0.3
62.22785	0.3
63.39421	0.4
63.67487	0.4
70.63774	0.4
70.64111	0.9
71.01360	1.3
80.05045	0.4
84.08199	0.4
85.02909	65.0
91.05512	0.6
95.01375	0.5
103.03954	1.4
113.02364	2.0
117.07015	1.2
118.06539	8.2
119.07330	9.0
120.04449	0.4
131.03419	3.7
132.08093	0.7
134.09659	100.0
151.39229	0.3
152.07968	0.4
160.11183	1.0
175.03960	0.5
204.10341	0.5
217.58389	0.4
222.08424	0.6
236.10037	1.3
246.11327	0.4
264.12311	95.7
283.25931	0.4
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	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
50.60207	0.2
55.05506	0.4
56.96561	0.4
62.46506	0.2
70.46449	0.2
70.69656	0.3
70.69991	0.6
72.07433	0.2
75.14725	0.2
81.07030	0.3
83.04985	0.5
87.04484	0.3
87.60384	0.2
91.05478	0.8
93.07003	0.4
95.63148	0.3
98.97601	0.3
105.07086	0.6
108.08131	0.4
111.04443	0.3
116.07304	0.3
118.06554	2.0
119.07320	0.4
119.08582	0.9
124.91687	0.2
130.06505	0.5
131.07349	0.6
131.08517	0.4
132.08076	1.1
133.08887	0.4
136.08365	0.6
144.08089	6.1
144.09235	0.4
145.08830	0.4
146.09633	1.1
147.04445	0.6
158.09619	2.6
159.10390	1.6
160.11235	0.7
166.08780	0.3
172.07533	0.4
172.11160	1.7
176.07089	2.8
176.14357	3.6
188.07080	1.1
188.11499	0.4
188.14348	0.7
190.08614	1.6
191.09344	0.4
192.10201	0.3
194.11824	0.5
200.11560	0.4
202.08559	0.4
202.15912	26.0
204.10205	1.5
206.08130	0.5
216.13832	20.1
218.15379	0.4
220.09727	1.0
221.10460	0.4
234.14891	29.6
246.12057	0.8
246.14900	3.6
264.15952	100.0
265.16290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03946	0.8
55.01865	1.0
55.05512	1.7
56.82514	0.8
57.03434	1.6
57.07075	1.1
61.92817	0.6
67.01868	2.5
67.05498	3.2
69.07075	1.8
71.25608	0.9
71.25930	1.0
79.05495	6.1
81.04520	0.7
81.07054	12.5
83.01351	3.9
83.01756	0.7
85.06529	0.7
91.05476	2.0
93.03422	0.7
93.07034	1.7
93.74957	0.6
95.04961	2.5
95.08595	1.7
103.05474	0.8
105.03398	2.0
105.07053	1.5
107.04970	1.9
107.08569	1.6
109.02872	0.9
109.10168	0.9
117.71559	0.8
119.08604	0.8
121.02863	1.0
121.06500	1.7
122.07174	2.4
122.48734	0.6
123.04436	7.3
125.02523	0.7
131.04939	3.1
131.08614	0.9
133.02847	2.0
135.04402	3.1
137.02283	0.9
139.03893	2.6
144.04788	1.0
145.10117	1.2
147.04440	1.1
147.07944	0.7
149.02364	1.0
149.05966	2.0
151.03903	10.4
153.05530	1.6
155.03386	2.2
156.66072	0.7
159.04439	3.7
161.02335	1.2
163.03899	12.0
165.01755	1.0
167.03435	1.5
169.04977	16.3
173.02344	1.0
173.09590	0.9
177.05489	5.9
177.09041	1.1
179.03406	24.9
181.04958	30.5
183.02876	1.3
185.04277	1.0
187.02528	0.8
187.03963	5.3
187.07538	2.0
191.03368	1.0
191.10632	0.7
193.04872	1.1
195.06538	2.9
197.04462	100.0
201.09251	1.2
204.03902	0.8
205.04984	9.1
205.08594	3.5
209.04506	4.8
209.08086	3.1
211.05980	1.8
219.10208	1.0
221.04372	0.9
222.04918	1.0
223.06042	16.4
223.09523	5.3
229.08626	2.3
247.09656	6.6
265.10715	78.1
265.18039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
50.01604	0.1
51.02385	0.2
53.03945	0.6
55.01869	1.0
55.05513	1.5
57.03442	1.3
57.07067	0.9
57.98925	0.1
65.03936	0.5
67.01860	3.0
67.05509	1.8
68.99784	0.7
69.03435	0.5
69.07069	1.1
69.22642	1.2
69.79997	0.2
71.01342	0.8
71.02040	0.1
71.04965	0.1
74.09704	0.1
77.03942	0.6
79.05494	4.9
79.05963	0.3
81.03432	0.8
81.07059	12.6
83.01345	3.0
83.04971	0.3
83.08621	0.3
85.02896	0.4
85.06548	0.3
89.03924	0.2
91.05478	1.3
93.03416	0.9
93.07037	0.9
94.19260	0.1
95.01326	0.4
95.04974	3.1
95.08618	1.1
97.02889	0.4
97.06522	0.5
98.20786	0.3
103.05470	1.7
105.03400	1.5
105.04516	0.3
105.07032	0.5
107.04953	2.1
107.08594	0.6
109.02896	1.0
109.06498	0.2
109.10154	0.3
111.04436	0.2
113.02366	0.8
115.05438	0.3
117.03344	0.2
117.07040	0.7
119.04948	0.3
119.08583	0.3
121.02891	0.9
121.06510	1.7
121.10176	0.2
122.07132	0.4
123.04435	7.6
123.08073	0.7
124.25558	0.1
125.02314	0.2
125.06030	0.3
127.03921	0.3
129.07031	0.3
131.04932	3.3
131.08566	0.5
133.02873	1.7
133.06436	0.2
135.04408	2.8
135.08040	1.4
137.02344	1.4
137.09613	0.2
139.03903	2.9
141.06993	0.3
144.05717	0.2
145.02873	0.5
145.06393	0.7
145.10141	0.5
147.04434	0.6
149.02341	0.8
149.05997	2.0
150.03172	0.2
151.03906	12.9
153.01826	0.2
153.05460	2.1
155.02118	0.2
155.03400	3.3
155.08588	0.4
159.04419	3.2
159.05643	0.3
159.08043	1.1
161.02371	1.2
161.06004	0.3
163.03914	13.8
163.07553	1.1
165.01854	0.8
165.05479	0.3
167.03406	1.6
167.07069	0.4
168.05757	0.2
169.04968	17.5
173.02391	0.7
173.06073	0.2
173.09653	0.6
175.03906	0.4
175.07578	0.2
176.04671	0.2
177.05478	6.6
177.09077	0.5
179.03401	28.7
180.04144	0.5
181.04961	32.6
183.02888	2.2
183.06598	0.2
183.08020	1.0
185.04471	1.1
186.03088	0.3
187.02370	0.7
187.03905	6.1
187.07481	2.1
189.05540	0.2
191.03447	1.2
191.07033	0.2
191.10663	0.4
192.04160	0.2
193.04961	1.3
195.02875	0.6
195.06558	3.0
195.10141	0.3
197.04457	100.0
198.04808	0.3
200.04536	0.2
201.09116	1.3
203.03424	0.8
203.06960	0.3
204.07864	0.4
205.04967	10.7
205.08580	4.0
205.10260	0.2
207.06529	0.2
209.04482	5.3
209.08044	2.9
211.05988	1.8
211.07658	0.8
218.05760	0.4
219.06746	0.3
219.10159	1.8
221.04424	1.3
221.07974	0.3
222.05156	0.4
222.08871	0.4
223.06029	18.0
223.09508	5.2
229.08572	2.8
236.06631	0.8
237.07555	0.6
237.11288	0.5
241.98631	0.2
247.09680	8.5
265.10706	89.3
266.10889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03945	1.3
55.01872	1.5
57.03434	1.7
67.01861	2.6
67.05487	1.6
69.07063	1.1
69.15324	10.3
71.65742	0.9
79.05503	3.4
81.07064	12.5
83.01330	3.2
93.03420	1.1
95.04983	2.2
98.21546	2.0
103.05450	1.3
105.03391	1.2
107.04936	1.7
116.19003	1.0
123.04411	6.6
131.04913	1.9
133.02843	1.2
135.04387	3.3
135.08089	1.7
139.03888	3.1
149.05974	2.8
151.03935	10.2
153.05487	2.2
155.03387	2.7
159.04420	3.0
163.03935	13.2
167.03333	1.4
169.04951	18.9
177.05457	6.1
179.03410	28.3
181.04974	30.5
183.02870	1.8
187.03911	6.1
187.07579	1.7
193.04974	1.6
195.06526	2.9
197.04468	100.0
205.04999	10.4
205.08615	4.1
209.04480	4.3
209.08125	3.2
211.06023	2.4
219.10284	1.5
223.06038	19.9
223.09564	5.9
229.08623	1.8
247.09743	8.1
265.10721	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03953	0.6
55.01872	1.6
55.05524	1.9
56.82497	0.4
57.03441	2.7
57.07069	1.2
65.03941	0.9
67.01872	3.2
67.05507	1.8
68.99781	1.0
69.03438	0.8
69.07061	1.3
69.46422	0.9
69.46835	1.8
71.01334	1.0
77.03955	0.5
79.05064	0.5
79.05501	4.9
81.03430	0.6
81.07067	10.7
83.01347	3.6
85.02895	0.5
85.06554	0.4
85.59775	0.4
90.52909	0.4
91.05489	1.2
93.03423	0.9
93.07042	1.5
95.04989	3.3
95.08606	0.8
97.02880	0.6
103.05482	1.5
105.03385	1.3
105.07028	0.8
107.04998	1.7
107.08603	0.6
109.02894	0.9
109.90908	0.4
113.02388	0.6
117.07008	0.5
119.08586	0.5
121.02891	2.0
121.06517	1.3
122.07124	0.4
123.04445	9.8
123.08044	0.9
123.96722	0.3
125.02371	0.5
125.05949	0.4
131.04922	2.9
131.08594	0.9
133.02867	1.6
135.04446	2.6
135.08055	1.6
137.02325	1.2
137.09692	0.3
139.03946	2.9
144.13051	0.4
145.02876	0.6
145.06467	0.7
147.04417	0.9
149.02408	0.5
149.06004	2.2
151.03932	12.9
153.01910	0.4
153.05463	1.1
155.03397	3.5
155.08673	0.3
159.04475	2.6
159.08075	1.1
161.02383	1.2
163.03934	13.3
163.07625	1.4
165.01854	1.0
165.05389	0.5
167.03510	1.8
169.01434	0.9
169.04984	17.3
173.02345	0.4
173.09653	0.8
175.11499	0.4
177.05505	5.9
177.09047	0.6
179.03415	28.0
181.04979	29.9
183.02980	2.1
183.08150	0.5
185.04495	1.1
187.02357	0.4
187.03908	4.8
187.07512	2.5
188.42207	0.3
191.03415	1.4
191.07159	0.4
193.04996	0.9
195.02911	0.5
195.06583	2.9
197.04475	100.0
201.09149	1.3
203.03397	0.4
205.04977	10.0
205.08597	3.8
209.04503	5.9
209.08075	3.9
211.05992	2.2
211.07675	0.9
219.10184	1.8
221.04532	1.0
222.05217	0.4
223.06041	16.4
223.09534	4.6
229.08583	2.8
236.06787	0.9
237.07684	0.5
237.11263	0.7
247.09685	8.3
265.10739	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.4
53.03946	1.0
55.01865	1.0
55.05500	1.5
57.03434	1.1
57.07067	1.1
65.03932	1.1
67.01868	3.3
67.05506	2.1
68.99797	0.7
69.03426	1.1
69.07069	1.5
70.21566	1.3
71.01339	0.7
77.03953	0.4
79.05078	0.4
79.05507	4.8
81.03469	0.4
81.07067	11.7
83.01363	2.9
85.02919	0.8
91.05473	1.2
93.03409	0.7
93.07033	1.2
95.01308	0.4
95.04986	3.2
95.08607	1.2
97.02906	0.6
97.06544	0.5
103.05485	1.6
105.03389	1.4
105.07026	0.8
107.04968	2.1
107.08588	0.8
107.87926	0.4
109.02898	0.8
109.06516	0.3
111.04473	0.4
112.37128	0.3
113.02419	0.6
117.07022	0.4
119.04914	0.4
120.08095	0.6
121.02886	2.4
121.06538	1.8
121.10181	0.4
122.07150	1.2
123.03574	0.6
123.04447	8.8
123.08047	0.6
125.02303	0.4
127.03925	0.5
131.04930	3.2
131.08592	0.7
133.02873	1.8
133.10104	0.3
135.04436	2.7
135.08066	1.4
137.02313	0.8
137.09572	0.4
139.03899	2.9
145.02896	0.8
145.06512	1.0
145.10127	1.1
147.04417	0.8
149.02348	1.0
149.05981	2.6
149.09589	0.5
151.03920	12.3
153.05435	1.6
155.03413	3.2
159.04440	2.8
159.08028	0.6
161.02364	1.3
163.03934	12.5
163.07542	0.9
165.01855	1.1
165.05481	0.5
167.03397	1.5
167.07088	0.6
169.01320	0.9
169.04991	17.6
173.02344	0.6
173.09642	0.4
177.05504	6.3
177.09088	0.6
179.03419	27.1
181.04980	30.2
183.02888	2.3
183.08099	0.8
185.04469	1.2
187.02397	0.6
187.03900	5.4
187.07483	2.3
191.03430	1.2
191.10663	0.6
193.04947	1.2
195.06609	2.9
197.04477	100.0
201.05496	0.4
201.09102	0.9
203.03506	0.9
205.05006	9.2
205.08585	3.4
209.04475	5.2
209.08073	3.4
211.06001	2.3
211.07727	0.6
218.05731	0.3
219.10217	2.0
219.13863	0.6
221.04436	1.1
223.06046	16.7
223.09500	4.6
229.08589	2.6
236.06804	0.7
237.07564	0.6
237.11223	0.7
247.09712	9.1
247.16927	0.5
265.10742	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03943	1.1
55.01883	1.0
55.05514	1.5
57.03439	1.5
57.07084	0.9
65.03943	0.9
67.01875	2.4
67.05514	2.3
68.99805	0.8
69.07064	2.3
71.00181	0.6
71.01373	1.0
71.52194	0.8
79.05504	5.2
81.07065	13.2
83.01353	2.4
83.08616	1.2
85.06564	1.8
91.05502	1.1
93.03410	0.7
93.07040	1.4
95.04955	3.7
95.08617	2.1
103.05475	2.0
105.03415	1.5
105.07045	1.0
105.26516	0.6
107.04967	2.3
107.08624	0.9
109.02923	1.0
109.10149	1.6
109.48479	0.6
113.02414	1.1
117.07026	1.0
121.02929	0.9
121.06543	1.2
122.07219	1.0
123.04448	7.2
123.08064	1.0
124.57043	0.6
128.13614	0.6
131.04947	2.6
131.08554	0.6
135.04408	1.8
135.08067	1.7
137.02333	0.9
139.03905	3.4
149.02452	0.7
149.05988	2.5
151.03911	10.5
153.05499	1.9
155.03426	3.9
159.04431	3.2
161.02299	1.5
163.03929	14.0
163.07571	1.1
165.01857	0.7
167.03409	1.4
169.04991	16.7
173.02386	0.7
177.05464	6.5
179.03412	27.0
181.04976	31.2
183.02911	2.7
183.08078	1.0
187.02422	1.0
187.03923	5.2
187.07544	1.5
193.04933	0.9
195.06523	2.3
197.04482	96.1
201.09091	1.1
205.04994	11.3
205.08559	3.0
209.04532	5.3
209.08092	2.8
211.06004	2.0
211.07733	0.9
219.10222	1.3
221.04573	1.0
223.06061	15.0
223.09433	4.3
229.08601	2.7
236.06619	0.7
241.98790	1.3
247.09700	7.3
247.16975	0.7
254.44547	0.7
265.10742	100.0
271.41983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03945	1.0
55.01883	0.9
55.05502	1.3
57.03432	1.5
57.07064	0.6
57.78083	0.3
59.65524	0.3
65.03944	0.4
67.01869	3.2
67.05511	1.8
68.99794	0.8
69.03428	0.6
69.07058	1.1
69.66930	0.3
70.88955	0.3
71.01351	0.6
71.25950	0.6
77.03951	0.5
79.05503	4.4
81.03387	0.6
81.07063	12.1
83.01347	3.8
89.89572	0.3
91.05492	1.1
93.03420	0.7
93.07034	0.9
95.04971	3.4
95.08623	0.5
97.06505	0.5
98.48592	0.4
103.05479	1.8
105.03400	1.7
105.04527	0.4
107.04980	1.6
107.08617	0.5
109.02885	0.6
113.02352	0.6
117.07003	0.7
119.04974	0.5
121.02890	0.9
121.06509	1.4
123.04436	8.0
123.08060	0.7
125.42014	0.3
131.04932	2.5
133.02884	1.8
135.04411	2.8
135.08086	1.0
137.02330	1.4
139.03932	2.5
145.02852	0.4
145.06473	0.7
145.10130	0.6
147.04451	0.9
149.02391	0.8
149.06024	1.8
151.03917	13.8
153.05490	1.5
155.03394	3.3
155.08522	0.5
159.04414	2.8
159.08060	0.8
161.02408	1.6
163.03917	13.4
163.07562	0.7
165.01840	0.7
167.03412	1.6
167.07095	0.5
169.01390	0.5
169.04977	17.7
173.02333	0.8
173.09627	0.9
177.05487	6.1
177.09076	0.7
179.03413	29.3
180.04144	0.7
181.04973	28.7
183.02966	1.9
183.08107	0.6
185.04451	1.4
187.02432	0.4
187.03917	5.2
187.07486	1.9
191.03389	0.9
193.04977	1.0
195.02946	0.6
195.06581	2.5
197.04471	100.0
201.09186	1.6
203.03397	0.5
203.07126	0.4
204.07887	0.4
205.04977	10.0
205.08549	3.5
209.04454	5.3
209.08096	3.0
211.06006	2.2
211.07701	0.5
216.18785	0.3
218.05902	0.5
219.10164	1.6
221.04420	1.0
223.06044	14.8
223.09554	4.9
229.08614	2.6
236.06758	0.9
237.07512	0.5
237.11296	0.6
247.09703	7.8
265.10724	70.5
266.11057	0.5
275.19498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01867	5.5
55.05508	13.3
56.05043	6.4
64.12539	4.0
65.03938	10.8
66.50309	3.7
67.05511	24.2
69.03440	24.9
69.07067	7.9
70.06607	21.5
71.04995	10.9
71.52160	7.2
72.08161	20.3
79.05505	23.7
81.04546	5.8
81.07080	19.4
83.04983	11.8
83.08630	3.9
84.04533	7.5
84.08150	14.1
85.02934	8.3
86.09707	13.3
89.10822	4.1
91.05488	42.8
93.03402	12.4
93.07056	39.4
95.04977	37.3
95.08630	21.9
97.02897	6.3
97.06525	10.9
99.04449	8.0
102.09209	3.3
103.05465	5.8
105.07053	57.2
107.04989	8.2
107.08598	25.0
109.06522	21.8
109.10178	7.1
111.04458	16.4
111.08086	10.5
113.06004	13.7
116.07102	4.7
117.03362	7.4
117.07003	19.0
119.04971	9.3
119.08595	74.9
120.08138	33.3
121.02890	19.7
121.06519	32.0
121.10155	10.4
122.07191	34.4
123.08070	26.8
128.06218	3.6
129.07013	13.7
130.07803	7.4
131.08589	38.4
133.06514	10.3
133.10167	16.5
135.08092	47.5
135.10002	9.7
137.09639	7.6
139.02885	2.9
139.03864	19.9
139.07556	8.5
141.07120	4.4
142.07813	6.6
143.08566	12.7
144.04787	10.0
144.09320	5.3
145.02855	31.0
145.06505	10.7
145.10126	33.2
146.06122	4.5
146.07249	4.4
147.04442	17.6
147.08075	44.2
147.11720	13.6
149.06009	6.4
149.09598	12.0
151.07559	6.5
155.08554	9.7
157.10126	16.4
158.07298	14.9
158.10950	7.1
159.08076	26.6
159.11717	36.8
161.09615	22.8
163.03929	3.5
163.07585	6.7
165.09122	22.0
169.10170	4.6
171.08058	5.0
171.11690	7.2
172.08853	17.1
173.09628	11.9
173.13290	20.9
175.07573	46.4
175.11174	26.3
177.05492	59.5
179.03438	4.0
183.11673	11.0
185.09770	5.8
187.11205	38.3
189.09122	11.3
189.12799	10.8
191.10704	6.1
193.08615	38.9
196.08821	8.4
199.11226	15.3
199.52405	3.3
201.12769	34.1
203.10670	23.8
205.12309	10.8
207.10262	6.1
211.11208	11.9
217.12276	20.5
219.13731	16.0
220.08899	4.2
229.12213	23.6
235.13268	7.4
247.13235	43.3
265.11816	5.9
265.14410	100.0
266.13715	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	265.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
55.05508	13.3
56.05043	6.4
64.12539	4.0
65.03938	10.8
66.50309	3.7
67.05511	24.2
69.03440	24.9
69.07067	7.9
70.06607	21.5
71.04995	10.9
71.52160	7.2
72.08161	20.3
79.05505	23.7
81.04546	5.8
81.07080	19.4
83.04983	11.8
83.08630	3.9
84.04533	7.5
84.08150	14.1
85.02934	8.3
86.09707	13.3
89.10822	4.1
91.05488	42.8
93.03402	12.4
93.07056	39.4
95.04977	37.3
95.08630	21.9
97.02897	6.3
97.06525	10.9
99.04449	8.0
102.09209	3.3
103.05465	5.8
105.07053	57.2
107.04989	8.2
107.08598	25.0
109.06522	21.8
109.10178	7.1
111.04458	16.4
111.08086	10.5
113.06004	13.7
116.07102	4.7
117.03362	7.4
117.07003	19.0
119.04971	9.3
119.08595	74.9
120.08138	33.3
121.02890	19.7
121.06519	32.0
121.10155	10.4
122.07191	34.4
123.08070	26.8
128.06218	3.6
129.07013	13.7
130.07803	7.4
131.08589	38.4
133.06514	10.3
133.10167	16.5
135.08092	47.5
135.10002	9.7
137.09639	7.6
139.02885	2.9
139.03864	19.9
139.07556	8.5
141.07120	4.4
142.07813	6.6
143.08566	12.7
144.04787	10.0
144.09320	5.3
145.02855	31.0
145.06505	10.7
145.10126	33.2
146.06122	4.5
146.07249	4.4
147.04442	17.6
147.08075	44.2
147.11720	13.6
149.06009	6.4
149.09598	12.0
151.07559	6.5
155.08554	9.7
157.10126	16.4
158.07298	14.9
158.10950	7.1
159.08076	26.6
159.11717	36.8
161.09615	22.8
163.03929	3.5
163.07585	6.7
165.09122	22.0
169.10170	4.6
171.08058	5.0
171.11690	7.2
172.08853	17.1
173.09628	11.9
173.13290	20.9
175.07573	46.4
175.11174	26.3
177.05492	59.5
179.03438	4.0
183.11673	11.0
185.09770	5.8
187.11205	38.3
189.09122	11.3
189.12799	10.8
191.10704	6.1
193.08615	38.9
196.08821	8.4
199.11226	15.3
199.52405	3.3
201.12769	34.1
203.10670	23.8
205.12309	10.8
207.10262	6.1
211.11208	11.9
217.12276	20.5
219.13731	16.0
220.08899	4.2
229.12213	23.6
235.13268	7.4
247.13235	43.3
265.11816	5.9
265.14410	100.0
266.13715	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	265.1547
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.18459	0.3
55.05514	11.4
56.05032	1.0
56.96572	0.4
57.03442	0.3
57.05817	1.0
63.23758	0.3
67.05501	0.6
69.03412	0.5
69.07090	0.5
70.06579	1.6
71.04984	0.4
71.52042	0.5
72.08158	100.0
76.04039	0.4
78.33797	0.3
79.05494	0.6
81.04563	0.4
81.07059	0.9
83.04989	0.5
83.06065	0.3
84.04517	4.1
84.08150	1.6
85.02901	1.3
86.03239	0.7
86.09711	1.5
90.86555	0.3
91.05488	2.9
93.07053	0.9
95.04973	0.4
95.08617	0.4
97.02898	0.3
100.07637	0.3
103.05500	0.3
104.28244	0.4
105.03427	0.5
105.07037	0.7
105.22518	0.3
107.04951	0.4
116.07153	0.3
119.04965	1.3
120.08116	14.5
121.08566	0.3
121.10165	0.3
122.07165	5.7
123.07971	0.6
129.06635	0.9
129.10272	0.6
130.05000	5.0
133.10146	0.6
134.09676	1.0
135.10030	1.2
136.07590	0.7
139.53197	0.4
144.04781	1.6
145.02849	0.5
145.10179	0.3
147.04431	6.3
147.05524	0.5
147.07689	0.7
149.02373	0.3
151.03958	0.5
163.03949	1.0
166.08644	12.5
177.05550	1.1
181.04945	0.8
201.05560	0.4
202.03098	0.4
205.31334	0.4
219.11470	0.6
219.15056	0.6
247.07674	0.4
247.11041	0.8
249.74654	0.3
265.12500	1.6
265.15341	7.8
266.13751	0.5
281.49255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03944	2.0
53.17272	0.8
55.05517	39.5
57.03445	1.6
57.06831	1.0
57.07084	16.3
65.03940	0.8
67.05509	37.9
69.07076	50.6
71.04993	3.5
71.08637	9.4
79.05502	19.8
79.05959	1.2
81.07064	42.8
83.05004	1.5
83.08629	36.6
83.09127	1.7
85.06557	2.8
85.10187	3.4
91.05479	2.3
93.07056	24.7
95.04979	0.8
95.08615	42.3
97.06549	12.2
97.10178	25.0
98.21500	1.9
99.08099	3.2
105.07047	1.2
107.08605	17.4
109.10162	20.4
111.08090	7.8
111.11730	8.4
119.08617	1.1
121.10159	36.2
121.11044	1.9
122.07127	1.2
123.11711	8.1
125.09641	3.0
125.13263	1.9
135.11710	31.5
137.13268	3.9
139.11198	2.6
141.12721	1.1
149.13290	14.5
151.14824	5.5
163.14824	4.3
165.16399	4.9
177.16382	3.1
179.17935	0.9
180.09669	0.8
183.17534	0.8
191.17972	2.4
196.96632	1.4
205.19537	1.1
241.98834	2.5
247.24245	35.7
265.00409	1.5
265.25296	100.0
287.93060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1387
Annotation	N(alpha)-Benzyloxycarbonyl-L-leucine
Peak:m/z	Relative Intensity
55.05514	0.5
56.96562	0.4
57.03401	0.4
61.02904	0.4
61.29588	0.3
61.66420	0.3
62.37053	0.4
65.44002	0.3
67.05469	0.7
67.96793	0.3
69.03417	0.6
69.07051	1.4
70.06580	1.6
70.62727	1.0
72.08150	3.1
73.02908	0.4
73.08463	1.0
75.12916	0.4
77.05376	0.3
79.05482	0.5
80.97583	0.3
81.07063	0.6
83.04990	0.4
84.04484	1.4
84.08120	1.2
85.02901	2.0
86.09705	2.4
91.05478	2.0
94.06603	2.1
95.04974	0.4
97.02872	0.9
98.06071	0.4
106.06514	0.8
108.04452	0.8
110.07166	0.4
116.07104	0.9
119.04941	3.1
120.08104	0.6
122.06010	3.7
122.06873	0.5
122.07040	0.5
123.06744	0.7
124.07599	2.6
127.03938	0.4
129.07036	0.8
129.10240	0.6
130.04961	0.5
132.08099	0.5
134.06010	2.3
134.09631	0.5
136.06154	0.7
138.05515	2.5
140.07019	0.5
145.04935	0.9
147.04416	12.1
148.07581	0.7
150.05502	17.4
150.07707	5.8
151.06224	0.9
152.07047	3.5
153.07840	0.8
160.07628	0.5
163.03867	0.6
164.07034	0.9
167.08960	0.5
167.90961	0.4
168.06564	25.7
169.04965	0.5
174.09210	0.7
175.11874	0.6
176.07048	1.3
182.05331	0.6
187.09886	0.7
188.10675	1.1
188.14330	0.5
189.09117	0.5
190.08646	0.8
191.09412	1.0
198.12709	0.8
202.12268	2.2
205.10976	3.1
207.06535	0.6
216.13727	0.4
220.13327	4.9
225.00658	1.4
230.11801	1.8
230.15395	0.5
242.97954	1.2
243.01790	1.5
248.09074	0.4
248.12852	6.9
248.15089	1.4
259.94577	0.7
260.99139	3.2
261.01526	0.5
266.13855	100.0
266.16098	4.6
280.30698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Salinosporamide D
Peak:m/z	Relative Intensity
53.03939	0.6
56.19938	0.4
67.05495	1.2
70.06593	1.0
70.66656	1.0
71.05038	0.4
79.05500	0.5
82.90916	0.4
84.04497	0.5
84.08150	0.7
86.09700	0.9
91.05502	0.5
94.06570	5.9
95.04946	0.4
106.06565	1.1
110.06023	1.8
122.06045	8.4
123.06813	14.0
134.06030	2.3
136.06187	1.6
136.07579	0.5
138.05511	32.3
140.07056	1.3
147.04466	0.5
150.05510	32.4
151.06305	17.4
151.07378	0.6
152.07066	2.9
153.07785	1.1
160.07597	1.3
163.03934	1.5
164.07118	0.7
168.06567	100.0
169.07352	4.5
176.07062	0.6
177.07846	0.7
189.09108	2.2
191.07059	0.7
200.06987	0.4
202.12263	1.6
217.08699	0.7
218.11787	0.5
220.13332	4.4
230.11774	4.7
248.12837	20.0
266.13882	66.4
285.18100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
57.03437	0.6
59.94592	0.6
64.00160	0.5
67.05499	1.3
69.03425	1.0
69.07050	0.9
70.06589	1.3
71.52046	0.8
72.08144	2.0
73.02915	0.6
81.03440	0.7
84.04501	1.0
84.08155	1.0
85.02930	1.3
86.09707	3.3
91.05483	3.5
94.06570	5.2
95.04962	1.1
96.04502	0.5
97.02891	1.5
106.06525	0.9
110.06043	1.7
119.04959	6.1
120.08129	1.1
122.06040	8.6
123.06810	14.6
134.06042	3.0
136.06198	1.2
138.05510	37.0
140.07094	1.1
147.04420	25.6
150.05515	25.8
150.07715	2.1
150.09023	0.7
151.05067	1.0
151.06297	19.1
151.07442	1.0
152.07077	6.6
153.07834	1.5
160.07573	1.7
162.09120	0.8
164.07089	1.5
168.06564	100.0
169.07356	5.2
176.07071	1.2
177.07857	0.6
178.08620	2.6
186.00175	0.6
191.09351	0.6
202.12320	1.7
206.08113	5.0
220.13361	7.0
222.14919	0.7
230.11781	4.6
248.09056	1.1
248.12833	24.2
266.13867	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
55.78231	0.3
56.05025	0.4
56.96539	0.3
57.03442	0.5
59.05004	0.8
61.02923	1.4
67.57440	0.3
70.06590	1.3
71.05001	2.2
71.15460	0.4
73.43134	0.3
79.05495	0.7
81.03428	0.3
81.07060	3.8
83.07379	0.7
84.04519	2.5
84.08140	0.9
86.09732	1.8
91.05494	2.7
94.04056	1.1
94.06567	0.4
102.05540	1.0
104.58624	0.3
112.08766	0.3
113.09679	0.7
119.03546	2.2
120.75645	0.3
123.06834	1.1
130.05014	2.7
136.06200	100.0
137.04628	0.8
138.05519	1.3
144.08110	0.6
148.06047	0.9
150.05533	1.5
150.07840	0.5
151.06270	0.7
168.06569	3.9
169.07312	0.3
178.56471	0.3
197.04523	0.4
201.12357	0.5
202.41141	0.4
220.09674	0.7
220.13326	0.4
224.09251	0.7
234.13525	19.2
238.10658	0.4
248.12872	0.9
266.10229	4.7
266.13968	2.9
266.16153	60.9
267.11353	0.6
267.16351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.175
Annotation	Ficuseptamine B
Peak:m/z	Relative Intensity
51.97062	0.3
53.03936	0.4
55.05497	0.9
56.96558	0.3
57.42057	0.2
58.78244	0.3
62.78652	0.2
67.05506	1.7
69.07063	0.7
70.02956	0.4
70.06583	0.6
70.27957	1.0
74.64254	0.2
79.05499	2.0
80.05016	0.8
81.06666	0.3
81.07063	3.8
82.06570	0.6
83.62777	0.3
84.08126	0.3
87.24873	0.3
91.05484	0.4
93.07037	1.0
94.06557	1.0
95.04932	0.3
95.08610	2.2
96.08118	0.3
105.07014	0.4
107.08595	0.5
108.08116	0.8
109.10144	0.8
112.07608	0.7
116.03452	0.6
119.04936	1.0
119.08580	0.3
120.08102	0.7
122.06032	0.6
122.09653	0.7
124.11262	1.3
136.07578	0.6
136.11201	1.1
137.08348	0.4
140.10771	0.4
147.04402	2.7
150.09097	0.5
150.12878	0.4
152.10670	0.3
154.12244	1.4
159.04262	0.3
162.12759	1.3
164.06998	0.3
164.14444	0.3
166.04997	1.2
167.05763	0.5
168.06581	0.6
169.04907	0.6
178.12268	1.0
179.03427	0.4
180.03828	0.5
181.04993	0.4
182.05490	0.6
182.08131	10.4
192.13831	0.8
192.17490	0.4
194.08121	4.4
194.11847	1.4
195.08913	1.5
196.09680	4.5
196.13365	1.1
197.04477	1.1
198.04779	1.5
208.09753	0.5
222.11282	1.3
224.12811	35.0
225.13335	0.3
241.00128	0.4
248.23734	1.8
259.01306	1.2
266.11716	2.1
266.17514	100.0
266.24811	6.8
267.17795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2482
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05504	0.9
67.05500	0.7
69.07066	0.5
69.15309	2.5
69.15711	0.4
71.08649	1.7
73.03918	0.3
75.84447	0.3
77.78217	0.3
79.05474	0.4
80.05020	0.3
81.07067	2.0
82.06576	0.7
83.08622	0.4
84.08147	0.8
86.09678	0.4
91.05497	0.4
93.07035	0.7
95.08622	1.3
96.08127	0.6
98.09692	0.7
98.20717	0.5
107.08622	0.5
108.08130	0.6
110.09699	0.7
112.07613	0.8
112.11228	0.3
122.09680	0.9
123.10457	0.7
123.11739	0.4
124.11243	1.1
135.11685	0.4
136.11227	1.3
137.11983	1.1
137.13179	0.5
138.12791	0.6
150.12788	5.4
151.13577	0.5
152.14352	2.7
164.14360	1.1
165.15184	0.3
166.15944	11.4
168.13869	2.8
168.17484	1.7
178.15874	2.0
179.16846	0.5
180.17485	0.9
192.17496	4.2
193.18318	1.3
194.19092	0.6
220.20497	1.3
222.22186	100.0
224.06480	0.5
224.23740	0.5
232.77858	0.3
266.10867	0.8
266.24808	93.8
267.24985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17897	1.5
53.03926	2.4
55.01862	2.0
55.05507	2.2
56.05024	5.6
56.96551	1.7
57.03442	8.1
60.20962	1.4
61.02932	7.8
67.05490	3.7
69.03429	15.6
69.07069	21.8
70.06567	3.7
71.04980	1.9
71.51965	1.5
72.08163	1.7
73.02903	3.8
74.06084	31.9
79.05464	1.5
81.03410	5.1
81.07038	4.0
83.08633	1.4
84.04494	5.9
84.08133	4.3
85.02908	91.1
86.09682	1.5
87.04484	1.6
87.08109	100.0
91.03954	4.2
91.05476	3.6
95.08594	2.3
97.02893	17.0
98.97540	2.8
99.04443	3.7
101.06009	1.8
105.03348	1.9
105.07022	1.7
107.08603	1.4
109.02881	8.3
118.06510	1.6
119.04971	1.4
120.04464	18.2
120.08112	13.1
121.02778	1.5
121.06575	1.5
122.07200	1.5
123.04417	2.5
127.03911	16.0
128.17834	1.4
133.10123	1.4
136.06195	10.8
136.07562	3.7
139.03899	1.7
145.04982	17.6
146.05983	1.4
163.06036	2.8
166.08662	11.7
221.13156	1.9
222.05762	2.6
232.84726	1.5
243.53693	1.3
255.05316	1.9
267.13467	8.5
268.10455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01876	0.3
57.03434	0.5
71.01335	0.2
71.21207	0.4
73.02910	0.3
85.02926	0.3
89.07855	0.1
94.04054	0.4
97.02908	0.2
119.03542	0.8
122.39198	0.2
136.06187	100.0
136.38556	0.2
137.04614	0.3
137.06473	0.2
179.11969	0.1
198.59946	0.2
205.37189	0.2
250.53110	0.2
268.10400	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	268.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27588	0.3
55.01876	1.0
55.05520	0.9
56.89737	0.3
58.06588	0.4
69.07084	1.0
70.06576	0.5
70.61018	0.9
72.04527	2.3
73.02917	0.8
74.06077	0.4
79.05492	1.7
81.07049	1.2
82.06586	0.4
83.08631	0.7
84.08128	0.8
91.05514	0.7
93.07048	3.2
94.06585	1.3
95.08624	1.0
100.03972	0.7
102.05505	0.6
104.29924	0.4
105.07023	0.7
107.08605	1.4
108.08115	9.0
109.08913	0.8
110.09702	1.0
115.90835	0.3
119.08589	0.7
120.08082	0.4
121.10210	0.4
122.09669	7.5
123.10458	1.3
124.07601	0.3
124.11256	1.3
133.10129	0.6
135.11714	1.9
136.06187	7.5
136.11197	3.1
137.13266	0.5
137.29771	0.4
140.07054	0.4
142.08644	0.5
150.12784	17.0
151.13573	8.6
152.07079	3.1
152.14383	0.5
155.03432	0.5
166.08653	0.7
166.12296	0.7
168.10229	0.7
170.08095	2.3
170.11794	0.5
178.15912	4.0
179.03398	0.4
180.10236	1.0
182.11777	1.0
194.11754	2.5
195.12582	0.7
196.06104	0.7
196.13297	0.4
197.04462	1.8
209.08051	0.4
222.14949	1.6
223.03551	0.4
224.16460	100.0
226.18018	2.4
231.37372	0.4
251.09128	1.1
268.11688	2.7
268.19077	65.8
269.19492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81531	3.9
72.22861	0.9
85.02894	1.0
94.93007	2.4
95.12879	0.9
134.96114	5.9
136.06184	100.0
137.05637	2.0
137.06633	34.0
162.95660	1.2
164.93532	8.8
178.95091	5.5
188.93547	3.3
206.94551	2.0
218.64378	0.9
222.93835	1.0
250.93616	2.7
268.10388	3.1
268.94617	30.0
268.97668	1.1
269.10699	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	268.946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65178	2.5
66.92217	2.0
70.59035	4.9
88.19952	2.0
94.93012	5.2
134.96103	13.6
136.06195	100.0
137.05637	3.4
137.06633	40.2
162.95648	2.5
164.93527	22.1
178.95070	11.0
187.82796	2.1
188.93507	6.9
206.94583	2.5
222.94121	2.2
250.93524	6.3
268.10477	3.8
268.94626	78.1
268.97711	4.2
269.10623	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	268.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10304	1.1
54.66779	1.1
70.54285	3.7
75.65263	1.2
79.44750	1.2
94.92999	2.1
112.89606	2.3
114.83632	1.1
136.94016	5.5
145.97255	1.1
162.95631	2.6
243.71661	1.3
250.97342	1.6
268.98260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03932	3.8
55.01866	2.7
55.05520	18.9
56.94297	1.5
56.96545	1.3
57.03444	26.4
57.07060	3.5
60.85536	1.2
65.03920	1.4
67.05511	79.3
68.05843	1.1
69.03415	1.3
69.06728	1.6
69.07077	21.7
70.06364	2.7
70.10863	1.2
70.95848	1.5
71.05006	6.7
71.08614	1.5
72.93777	2.3
74.77252	1.1
77.03938	1.3
79.05502	48.4
79.07463	1.0
80.58615	1.1
81.03437	2.0
81.07065	100.0
83.04996	9.2
83.08630	19.5
84.08129	1.6
84.08942	1.1
85.02895	1.5
85.06546	6.9
86.09692	3.6
86.96286	1.2
90.94836	1.5
91.05495	32.2
93.07055	76.9
95.04996	6.7
95.08620	26.9
97.06538	19.0
97.10189	2.4
98.97634	1.4
99.04461	1.9
99.08081	4.7
105.04525	1.5
105.07040	14.7
106.75436	1.1
107.08602	30.1
109.06507	4.3
109.10155	7.2
111.08093	10.3
113.06025	1.4
117.07021	14.1
119.08582	4.6
121.06495	1.4
121.09334	1.6
121.10166	16.0
123.08067	1.8
123.11694	4.5
126.97372	1.1
126.98353	1.5
131.08592	17.7
133.10143	18.6
135.08047	3.1
135.11703	15.6
136.06223	2.3
137.06506	1.5
139.11226	2.5
149.09593	1.9
149.13277	40.3
151.07578	1.3
151.11211	3.5
153.09163	1.9
157.10153	2.4
159.11714	44.5
159.13055	2.2
161.13260	3.1
177.12758	24.3
179.14346	3.5
185.04726	1.3
195.13826	19.1
201.03569	1.8
209.12044	1.4
213.14827	2.1
224.12883	1.3
238.09665	3.0
251.07150	8.3
251.16429	2.6
257.16470	1.3
269.08215	11.6
269.17493	93.9
269.26740	20.2
287.09290	1.5
292.09540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03947	3.3
55.01877	3.7
55.05512	17.4
57.03440	32.5
57.07069	6.9
61.79375	2.4
67.05509	75.6
68.99767	2.4
69.07072	29.7
71.04990	4.7
71.08640	2.3
71.53292	3.5
79.05064	3.1
79.05497	33.7
81.07060	100.0
83.04974	8.2
83.08627	19.3
85.06545	4.8
91.05490	15.1
93.07051	63.1
95.04974	5.5
95.08609	21.6
97.06532	17.5
99.08101	5.1
105.07026	8.4
107.08604	32.6
109.10165	5.3
111.00816	6.9
111.08053	9.9
117.07014	8.1
119.08557	3.6
121.10133	22.6
123.11630	2.4
131.08563	7.9
133.10141	9.2
135.08075	3.2
135.11699	9.5
139.00246	13.9
147.11713	2.7
149.13260	54.3
157.01346	12.7
159.11685	18.0
167.14258	2.6
177.12749	9.5
185.76189	2.3
195.13779	15.0
211.54927	2.1
212.26790	2.4
228.23309	3.9
269.08069	3.6
269.17441	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.23637	1.5
53.03948	2.7
53.93039	2.1
55.01866	4.2
55.05512	18.9
57.03442	37.8
57.07072	4.2
57.95361	2.1
58.56585	1.7
64.05949	1.8
65.03940	2.5
67.05511	75.9
69.07074	30.5
70.10042	7.4
71.01354	2.3
71.04979	7.2
71.08602	2.3
79.05073	2.8
79.05499	43.1
81.03445	1.9
81.07064	100.0
81.87869	1.8
83.05003	11.1
83.08620	14.1
85.06525	6.9
91.05482	19.5
93.07050	76.6
95.04964	5.2
95.08618	32.0
97.06524	16.5
99.08084	5.6
105.07029	9.9
107.08604	40.4
109.06496	3.1
109.10178	5.0
111.08076	14.0
117.07035	7.3
121.10154	25.2
123.11748	2.9
131.08549	10.3
133.10121	8.6
135.11687	12.3
139.11165	3.6
147.11737	2.1
149.13272	66.2
159.11710	22.8
167.14499	2.2
177.12779	10.3
195.13837	18.6
213.14888	1.8
269.17493	83.8
271.75500	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.82806	1.3
53.03931	2.5
55.01864	3.5
55.05514	20.3
57.03440	36.4
57.07072	4.2
59.39526	1.4
65.03941	2.4
67.05508	75.2
69.03413	1.6
69.07072	30.8
69.41185	6.1
69.41605	4.5
71.04973	7.4
77.03932	1.6
77.07116	1.2
79.05021	1.6
79.05497	42.7
81.07062	100.0
81.80312	1.4
83.04983	9.7
83.08153	2.0
83.08627	20.7
85.06520	7.3
91.05484	23.2
93.07049	68.9
94.30701	1.3
95.04964	4.2
95.08614	24.9
97.06532	15.8
97.10184	1.9
97.97205	1.4
99.08083	4.7
105.07047	8.9
107.08602	40.4
109.06502	2.2
109.10197	3.4
111.08072	10.3
113.06028	1.5
113.09640	1.6
117.07031	8.1
119.08543	1.8
121.06542	1.5
121.10157	24.8
123.11710	1.7
131.08586	10.2
133.10164	8.7
135.08047	3.4
135.11726	11.0
139.11234	2.5
141.09164	1.5
143.38057	1.3
149.13263	65.0
151.11176	1.5
159.11699	27.4
167.14372	3.3
177.12758	14.0
195.13821	21.2
269.17490	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	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.67225	1.0
53.03951	3.4
55.01868	3.3
55.05268	1.6
55.05515	20.3
57.03444	38.4
57.07067	3.6
58.62892	0.9
64.31829	0.8
65.03943	2.3
67.05511	79.6
67.26624	1.0
69.03449	1.0
69.07075	29.8
69.26661	7.1
69.27066	2.5
70.03759	1.0
71.05002	7.4
79.05499	49.3
81.03416	2.1
81.07063	100.0
83.04981	9.9
83.08624	19.6
85.06544	6.6
91.04915	1.2
91.05489	23.9
93.07052	76.3
95.04998	5.5
95.08617	31.4
97.06540	15.4
97.10162	2.8
99.08108	5.0
105.04518	2.0
105.07048	8.7
107.04987	1.4
107.07875	2.1
107.08604	42.3
109.06526	4.1
109.10168	4.1
111.08090	11.5
117.07024	12.1
119.08595	3.0
121.06559	1.9
121.10159	25.9
123.08078	1.6
123.11732	4.5
125.09659	1.2
131.08571	13.9
133.10149	11.5
135.08055	2.4
135.11702	10.7
136.06229	1.1
139.11218	2.5
144.09319	1.0
147.11674	2.0
149.13271	57.2
151.11163	1.7
159.11705	26.6
177.12756	15.0
195.13828	19.4
213.14883	1.2
233.15538	1.3
233.33519	1.0
238.09753	0.9
251.09317	1.1
269.17505	75.4
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	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03941	3.3
55.01862	2.8
55.05279	1.3
55.05521	17.7
57.03445	32.4
57.07068	4.7
67.05512	77.8
69.03444	1.6
69.07076	29.2
69.31055	9.1
71.05012	6.8
73.02921	1.3
74.82992	1.2
79.05502	44.4
79.64572	1.2
81.03400	1.7
81.07066	100.0
83.04993	10.0
83.08625	21.8
85.06561	6.3
91.05488	28.3
93.07054	70.9
93.07559	0.9
95.04984	7.8
95.08070	1.7
95.08617	24.6
97.06542	18.4
97.10176	1.7
99.08125	5.6
105.04465	1.6
105.07053	10.7
107.08606	33.6
109.06524	2.3
109.10141	4.6
111.08107	7.3
113.06032	1.9
117.07047	13.5
119.08562	4.5
121.06484	1.6
121.10163	21.9
123.11694	3.3
131.08575	11.4
133.10156	13.0
135.08060	2.7
135.11714	11.7
147.11661	1.8
149.09552	1.3
149.13278	45.0
151.11205	2.4
159.11714	31.8
161.13281	2.0
177.12769	17.5
179.14262	2.5
195.13860	17.7
199.04857	1.3
213.14798	1.8
217.36572	1.1
227.07010	1.5
241.08459	1.4
269.08072	4.2
269.17493	76.2
270.08914	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03946	3.3
55.01866	2.6
55.05515	17.9
57.03442	29.4
57.07064	4.3
59.76764	1.1
62.18405	1.0
65.03920	2.5
67.05509	80.0
69.03416	1.7
69.07073	27.1
71.05000	7.5
71.08633	1.7
79.05497	48.6
81.03407	2.1
81.07062	100.0
83.04965	9.4
83.08628	19.7
85.06535	6.7
91.05487	22.5
93.07050	69.2
93.07551	1.1
95.04957	4.7
95.08615	27.7
97.06534	17.3
97.10160	2.2
98.20718	3.0
99.08115	5.1
105.04534	1.4
105.07034	10.0
107.08604	37.6
109.06506	4.0
109.10149	5.3
111.08088	11.9
111.11703	1.1
117.07021	13.4
119.08581	2.7
121.06532	1.5
121.09328	1.7
121.10145	22.0
123.11695	3.5
127.07526	2.2
131.08580	10.3
133.10132	11.9
135.08076	2.4
135.11717	12.7
137.09554	1.2
139.11195	2.4
147.11656	1.2
149.13272	51.4
151.11266	1.8
159.11700	24.4
161.13281	1.8
164.76233	1.1
167.14229	1.3
177.12784	16.3
184.96297	1.1
195.13809	19.7
213.14801	1.6
229.50847	1.6
241.08655	1.2
251.25728	1.7
269.08063	4.6
269.17477	82.9
269.22357	2.4
269.26743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01860	0.6
55.05504	0.4
55.96317	0.2
57.03419	0.3
57.11847	0.2
58.54863	0.2
60.05615	0.2
65.03913	0.2
67.01860	0.2
67.05494	0.8
68.99795	13.2
69.03414	0.2
69.07059	0.8
70.06589	1.5
70.75996	0.2
70.76341	0.4
71.04989	0.7
72.08157	1.6
73.83230	0.2
79.05497	1.3
81.03408	0.2
81.07046	0.8
83.04996	0.3
84.04485	0.8
84.08124	0.7
85.02916	0.3
85.06547	0.2
86.09713	1.1
89.06034	0.2
91.05474	0.7
93.07055	1.4
95.01328	0.2
95.04977	0.3
95.08627	0.9
97.06538	0.2
103.05475	0.5
105.03293	0.2
105.07012	0.5
107.04959	0.6
107.08611	0.3
109.06523	0.2
109.10179	0.2
109.58009	0.2
110.07181	0.2
111.00813	1.8
115.05461	0.7
116.07099	0.6
116.41280	0.2
117.07014	0.3
118.06577	0.3
119.04978	0.2
119.08560	0.2
121.10170	1.8
123.11750	0.2
125.05979	0.3
128.06252	0.3
129.07025	1.7
129.10219	0.3
131.04922	0.9
131.08556	0.5
133.02844	0.2
133.06499	0.2
134.06024	0.5
135.04439	0.2
136.07544	0.4
137.02319	0.6
137.05951	0.4
139.05431	0.4
139.11174	0.5
141.06993	2.7
145.06491	0.8
147.04395	0.5
147.08064	0.4
149.02371	0.2
149.09619	0.5
150.05542	0.3
152.07140	1.0
153.07047	0.4
155.02020	0.2
155.04924	3.0
155.06081	0.3
157.06491	2.8
157.12233	0.3
159.04437	1.2
160.05261	0.3
161.05997	0.4
167.10680	0.2
168.05739	0.3
169.05132	0.2
169.06494	3.2
172.05197	0.3
173.05995	11.3
175.07533	0.8
177.05489	0.4
179.04892	0.3
181.06523	0.8
183.04445	2.9
184.05092	0.2
185.05992	2.0
187.03874	3.3
187.07582	0.5
197.04158	0.3
197.05984	6.4
199.05902	0.2
200.04686	0.4
201.05479	11.2
202.06282	0.5
203.07042	5.0
207.04448	0.3
211.03951	0.8
213.05513	0.3
215.07051	1.7
217.12128	0.3
225.05478	6.8
226.06218	0.5
227.08635	0.3
229.04970	13.7
229.15361	0.2
242.05919	0.2
243.06529	3.0
253.04953	4.6
254.05762	0.3
271.06015	100.0
272.06393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Nudol
Peak:m/z	Relative Intensity
52.55115	0.2
69.63522	0.5
69.63927	0.9
81.07127	0.2
99.81300	0.2
103.14104	0.2
105.44991	0.2
165.06996	0.3
167.08531	0.3
172.82838	0.2
181.06477	0.3
182.07254	2.3
183.08127	0.5
186.37318	0.2
194.07216	0.4
195.08070	1.0
197.09586	1.9
210.06789	3.4
211.07555	2.5
213.05450	1.8
214.06273	2.3
223.07587	0.4
225.05640	0.4
225.09109	13.1
227.07092	1.1
228.07895	1.6
238.06201	1.2
239.06958	0.9
240.07813	10.9
241.04770	0.3
243.10239	0.6
253.08611	12.5
254.09386	2.2
256.07318	14.6
270.08777	1.2
271.09653	100.0
272.10004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Imbricatin
Peak:m/z	Relative Intensity
51.38219	0.2
53.15874	0.2
55.05507	0.3
57.03453	0.3
67.05509	0.3
67.08183	0.2
71.52635	0.3
79.05508	0.3
81.07067	0.9
82.07391	0.2
85.02937	0.2
91.05456	0.5
93.07050	0.5
95.08617	0.6
98.03795	0.2
103.06961	0.2
105.07069	0.3
107.08638	0.3
109.06574	0.3
109.10152	0.4
116.07125	0.3
116.98483	0.7
119.08568	0.3
128.98506	0.4
131.00040	1.8
131.08537	0.2
137.05928	0.3
140.98462	0.7
141.06956	0.3
143.00056	1.2
152.07135	0.4
153.06993	0.4
154.07805	0.4
155.08644	0.3
157.01593	0.5
158.99542	0.6
161.01097	0.6
165.07037	0.8
167.00037	0.2
169.10123	0.3
170.99516	0.4
174.99037	1.6
175.02710	0.4
175.08727	0.2
181.06564	0.2
182.07269	3.0
183.08008	0.6
185.01083	1.4
189.00592	1.8
190.81578	0.2
194.07263	0.6
195.08092	0.8
195.68700	0.2
197.05994	0.3
197.09634	2.1
199.02649	0.4
201.13899	0.3
203.02159	1.0
210.06749	3.8
211.07553	2.7
212.08313	0.4
213.05537	2.3
214.06230	3.1
217.03673	0.3
223.07616	0.4
225.05530	0.6
225.09116	16.3
226.06262	0.3
227.06921	1.2
228.07787	2.3
238.06306	1.1
239.07016	0.7
240.07829	10.7
241.05016	0.6
241.07074	0.4
243.10217	0.8
253.08621	12.6
254.09334	2.1
255.06483	0.3
256.07321	15.7
270.08832	1.3
271.09668	100.0
272.10040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	Nudol
Peak:m/z	Relative Intensity
50.05533	0.2
52.39615	0.2
53.18957	0.3
55.05521	0.3
67.05507	0.4
69.07062	0.5
70.58620	0.5
70.58982	0.6
75.94616	0.3
76.18259	0.2
79.05493	0.4
81.07081	0.7
91.05472	0.3
93.07018	0.4
95.08623	0.4
105.07056	0.5
114.96987	0.3
116.98473	1.5
128.98459	0.4
131.00040	2.9
133.10121	0.5
134.06082	0.3
140.98433	1.5
143.00021	1.6
145.01549	0.3
146.99533	0.6
149.01096	0.4
152.07161	0.4
153.99301	0.3
155.00024	0.5
157.01608	0.8
158.99556	0.9
159.08087	0.3
161.01126	1.0
165.07028	0.9
166.07840	0.6
166.99997	0.3
170.99542	0.7
173.00999	0.4
174.99016	3.1
175.02617	0.6
177.00587	0.5
177.96899	0.3
179.08580	0.5
181.01587	0.5
181.06638	0.3
182.07289	3.0
183.08078	0.3
185.01096	1.8
187.07613	0.3
189.00594	3.7
194.07359	0.5
195.08081	0.6
197.09644	2.0
199.02678	0.7
203.02170	2.6
206.56560	0.3
210.06747	3.6
211.07561	2.3
212.02216	0.5
212.08379	0.5
213.05508	2.4
214.06265	2.8
215.10713	0.3
217.03839	0.4
223.07564	0.6
225.09129	15.3
226.03925	0.3
227.07050	1.1
228.07849	2.0
238.06374	1.4
239.07117	0.7
240.07825	11.5
241.05086	0.5
241.07552	1.0
243.10229	0.7
253.08646	14.0
253.10921	0.5
254.09380	2.5
256.07327	14.9
264.32385	0.3
270.08939	1.0
271.09702	100.0
272.10132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.70735	0.5
55.05513	0.8
67.05487	1.4
69.41182	4.2
79.05479	1.3
81.07034	2.3
90.49554	0.6
91.05453	1.1
93.95107	0.6
95.08615	1.1
98.21539	0.9
105.07059	0.7
106.06561	0.7
107.08641	0.8
108.08118	1.1
108.45374	0.6
109.10143	1.6
117.07028	0.7
119.07274	0.6
119.08567	1.1
120.08080	1.0
124.07567	1.2
129.07080	1.0
138.65099	0.5
143.08592	0.6
148.07501	0.6
154.06505	0.8
156.08133	0.9
156.09320	0.7
157.10118	1.1
158.06041	1.0
159.08005	0.6
159.09174	1.5
168.08081	5.2
169.08900	3.1
169.10159	0.7
181.10103	0.8
182.09676	2.6
183.10422	8.7
186.05617	0.6
196.07542	1.0
197.08385	1.2
198.12811	6.1
199.08698	2.4
200.12929	0.8
210.09175	0.9
210.11462	0.6
211.09956	1.7
212.09485	2.7
213.10281	4.5
214.10966	1.3
215.15509	2.1
225.09172	1.2
225.11224	0.8
226.12317	8.9
227.08241	1.6
227.11809	21.5
228.12569	16.4
229.13353	0.6
240.09010	0.8
241.09776	1.6
241.13443	1.0
243.14963	11.9
253.08392	0.7
253.13333	1.1
254.11938	0.7
255.11293	42.2
256.12073	50.3
269.12836	2.6
271.06213	2.0
271.09641	9.9
271.14423	100.0
279.29941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88949	0.3
60.04551	0.4
60.16590	0.3
67.05499	0.5
69.07082	1.6
70.06599	48.3
70.56973	0.7
70.57310	0.4
79.05483	0.4
81.07053	0.5
81.84369	0.3
83.93816	0.3
86.09716	28.4
87.75965	0.3
91.05481	0.5
93.07043	0.7
95.04993	0.4
95.08658	0.4
101.02390	0.7
105.07013	0.4
111.08146	0.4
112.07599	0.7
116.07104	100.0
120.32954	0.3
123.04482	0.3
128.10730	18.2
136.94917	0.4
137.05957	0.5
140.07135	0.6
156.10228	3.6
164.95502	0.4
195.10181	0.4
199.05878	0.7
211.09785	0.5
228.30042	0.3
239.09177	1.0
239.60179	0.4
271.06021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
53.03947	3.4
55.01876	2.2
55.05505	5.9
67.05499	8.0
69.03443	3.6
69.07076	2.9
71.05001	14.8
71.53183	1.9
79.05489	14.8
81.07066	16.4
83.05009	3.1
85.06546	4.9
88.27732	1.4
91.05484	23.7
93.07047	33.6
95.04966	9.5
95.08607	21.4
97.06552	2.9
103.05457	2.1
105.07038	46.2
107.08602	22.6
109.06523	100.0
109.10176	3.6
111.08114	3.7
115.05463	2.4
116.06194	2.5
117.07024	10.9
117.20905	1.7
119.08578	21.0
121.06490	3.1
123.08060	5.4
128.06236	7.4
128.88904	1.7
129.07028	11.2
130.07825	1.9
131.08582	27.0
133.06465	2.9
133.10139	4.4
135.08063	41.7
137.09602	13.0
141.07013	5.0
142.07805	7.9
143.08578	30.3
144.09305	3.9
145.10129	30.0
146.10834	1.8
147.08075	8.0
147.11711	3.1
149.09636	13.2
153.07022	4.8
154.07761	3.0
155.08566	18.1
156.09351	15.1
157.10187	11.3
159.08046	7.0
159.11671	10.6
161.07875	1.5
161.09592	4.5
165.07021	16.1
166.07918	1.8
167.08563	6.1
168.09398	4.5
169.10144	21.5
170.10912	6.3
171.08047	3.7
171.11691	38.3
171.14046	1.7
172.08954	1.7
173.09645	7.1
179.08572	6.5
180.09329	14.6
181.10117	8.1
181.95660	1.6
182.10951	2.0
183.08092	3.2
183.11757	9.6
185.13274	11.8
187.11200	6.0
187.14827	2.6
191.10648	3.4
194.10976	3.3
195.11714	52.2
196.12451	7.3
197.09650	2.5
198.10371	5.8
201.12802	6.3
208.61858	1.7
209.13287	7.0
210.14018	4.0
211.11247	3.0
211.14798	22.6
213.12752	53.5
220.12524	2.7
225.09138	3.2
228.15125	2.5
228.34656	1.9
229.15897	10.7
230.30054	1.9
235.14897	4.9
253.08681	3.9
253.15921	15.5
256.07306	3.5
271.06122	3.0
271.09705	23.3
271.17001	30.1
284.36517	1.7
284.65961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76192	2.1
53.03947	4.2
55.01873	2.4
55.05505	4.5
55.21835	1.8
56.71177	1.9
57.03436	2.4
58.24676	2.1
67.05492	8.0
69.03439	3.3
69.07072	4.0
69.61214	13.4
71.05006	14.2
79.05505	15.0
81.07058	17.6
83.08612	2.3
85.06551	5.3
88.07629	3.0
91.05491	22.6
93.07056	34.7
95.04975	9.3
95.08621	24.5
97.06560	3.1
98.21651	2.7
103.05492	2.8
105.07043	52.1
107.08608	25.5
109.06533	100.0
109.10146	3.6
111.08092	3.8
113.06018	2.0
115.05458	3.8
116.06277	2.6
117.07063	12.4
119.08603	22.4
121.10206	3.5
123.08061	8.2
128.06229	10.1
129.07037	12.1
131.08594	26.0
133.10147	5.1
135.08067	47.7
137.09633	16.8
141.07022	7.8
142.07802	7.9
143.08583	30.6
144.09340	3.2
145.06499	2.9
145.10138	32.4
147.08067	9.4
149.09628	18.1
153.06981	5.4
154.07788	3.6
155.08560	17.1
156.09340	13.4
157.10152	14.7
159.08093	7.0
159.11708	11.6
161.09682	5.9
165.07071	16.3
166.07857	2.5
167.08504	5.3
168.09387	5.9
169.10136	20.8
170.10884	4.7
171.08217	2.3
171.11710	59.6
173.09630	7.5
179.08633	5.6
180.09361	20.1
181.10170	7.1
182.07271	2.3
183.07986	3.0
183.11711	9.7
185.09711	2.8
185.13281	14.4
187.11206	5.5
191.10678	4.8
193.10115	2.3
195.11716	62.1
196.12473	8.3
198.10378	5.4
201.12781	8.5
205.10190	3.2
209.13344	6.1
210.14041	7.6
211.11311	2.3
211.14854	25.4
213.12775	64.0
225.09138	4.3
227.14223	3.1
228.15018	3.4
229.15906	11.0
235.14951	4.7
240.07870	4.0
253.08618	3.3
253.15846	19.0
256.07288	4.9
264.10977	3.0
271.06076	12.7
271.09662	36.8
271.16968	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
55.01857	3.0
55.05276	2.8
55.05514	42.3
57.03199	2.3
57.03444	27.5
57.07067	2.0
65.03925	2.6
67.05508	51.4
69.03431	1.9
69.07073	31.6
71.05003	13.6
71.52490	1.8
72.36320	1.6
74.07587	1.6
79.05499	26.5
81.07062	93.9
82.73208	1.5
83.04971	6.3
83.08626	18.7
85.02929	1.6
85.06542	10.7
91.05494	24.0
93.07055	22.3
93.07624	2.5
95.04969	4.5
95.08614	100.0
97.06531	13.2
97.10168	6.5
99.08066	7.2
101.02402	1.8
102.25391	1.6
105.07042	20.7
107.08590	13.5
109.06511	4.4
109.10170	19.3
111.08093	8.5
113.09652	1.8
119.08586	26.2
121.10130	7.6
123.08051	5.5
123.11717	3.3
125.09686	2.4
131.08600	2.7
133.10123	19.2
134.06082	1.9
135.11682	7.5
137.06013	2.5
137.09587	4.1
137.13268	7.4
139.07549	2.2
141.09187	1.9
145.10158	1.8
147.04362	1.6
147.11673	1.9
149.09636	2.2
149.13243	3.3
151.11189	3.9
152.07011	2.6
155.04880	1.9
159.11714	2.7
161.13278	34.9
173.13179	1.7
176.09438	1.8
179.14362	16.0
189.12735	1.9
201.05496	2.0
222.15292	1.6
225.09314	1.9
229.05023	2.3
253.08601	2.2
253.14488	3.2
253.17990	6.3
271.06021	15.8
271.09644	15.4
271.19037	96.9
271.24051	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	271.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.05507	9.3
56.96570	33.7
57.03435	7.1
57.07062	3.9
58.28640	2.9
61.25805	2.9
64.91339	3.0
67.05502	11.8
68.99792	6.6
69.03434	7.8
69.07065	15.5
70.06583	12.1
70.70468	6.5
71.01372	4.3
71.04999	4.6
71.11885	3.8
72.08154	6.3
73.02920	6.7
73.52979	3.1
74.25378	3.7
76.71749	3.2
79.05484	8.2
81.03427	4.5
81.07050	15.0
83.08630	5.5
84.96044	13.2
85.02905	5.0
85.06518	5.6
91.05494	9.2
93.07047	11.7
95.08609	9.9
97.02899	25.4
97.06532	8.4
98.97581	13.5
102.97153	3.5
105.03372	5.4
105.07029	8.3
107.08598	6.4
109.10173	10.7
110.97571	8.0
115.07655	4.0
116.07080	6.9
116.98656	6.0
119.04974	5.2
119.08562	4.1
121.02888	5.6
121.06557	4.1
123.04444	4.5
125.06067	4.1
126.96984	3.8
128.98608	10.9
129.06950	3.7
133.10165	7.0
134.06013	10.1
137.06009	3.9
139.11121	3.4
144.05807	3.6
144.98088	10.6
146.99651	8.4
147.04390	4.3
147.29665	3.9
152.07060	18.5
152.98618	3.8
153.01837	11.5
155.08586	4.9
156.98059	3.6
158.01379	4.7
161.13295	3.3
162.99135	14.6
166.01074	4.0
170.99828	3.4
173.05940	4.8
175.01599	3.8
189.00873	4.3
196.09987	7.8
197.05865	3.8
225.13686	3.9
229.04968	7.0
253.13416	5.1
257.04440	18.8
257.06747	3.9
258.05292	5.1
260.02704	10.4
271.05856	100.0
271.10349	7.2
271.11713	4.5
271.14410	37.7
271.16998	6.3
272.06448	5.9
285.03857	4.7
286.04688	4.4
287.05508	93.0
287.08481	6.8
288.05698	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	272.1132
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	1.0
55.05516	0.9
56.96560	1.3
57.03423	2.9
61.02936	4.4
65.03947	1.3
68.99777	1.3
69.03437	5.7
70.00091	1.1
70.06252	1.2
70.06597	14.5
71.05003	0.9
72.08143	3.1
73.02909	2.2
79.05494	1.3
81.03408	2.8
81.07053	2.5
83.04951	1.1
83.06104	1.7
83.58147	0.8
84.04498	3.0
84.08129	2.5
85.02909	20.6
86.09702	3.3
91.03935	1.8
92.05019	5.0
93.05546	0.9
95.04982	1.3
95.06103	2.2
97.02892	5.6
97.06528	2.4
98.97604	1.8
103.03897	0.7
106.06554	3.8
109.02834	1.5
109.05280	1.2
110.06049	100.0
110.07150	16.1
111.04466	1.7
112.08722	1.4
113.02355	0.8
116.07130	4.8
116.98643	0.8
120.04419	0.9
122.06033	3.6
123.04387	1.1
127.03922	4.2
129.10251	1.8
134.06004	7.7
136.07574	1.2
143.03104	0.8
145.04964	4.6
151.70758	0.9
152.07074	6.1
153.07404	1.7
156.07713	2.0
163.04071	0.7
163.06007	0.9
163.12326	1.2
164.07077	1.1
174.06233	1.2
175.12025	0.9
176.07050	1.9
177.07834	0.8
184.04500	1.2
194.08191	1.0
198.60789	0.8
202.05794	2.2
208.14456	2.4
226.05768	1.0
226.15482	4.3
230.05237	2.1
236.09201	1.4
254.07866	0.9
254.10222	5.1
254.14993	3.0
272.06128	9.0
272.11295	4.5
272.16031	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	272.113
Annotation	N-Acetoxy-MeIQx
Peak:m/z	Relative Intensity
53.03931	0.8
54.45129	0.7
55.01846	1.4
56.05011	0.9
57.03438	6.1
61.02921	3.8
65.20332	0.7
68.99757	3.1
69.03435	13.9
69.82237	0.7
69.94879	3.2
70.00117	1.0
70.06566	2.9
71.01328	1.0
71.04990	4.1
72.08120	2.5
73.02583	0.7
73.02918	8.7
77.03918	1.1
81.03431	7.6
84.04482	0.8
84.08124	1.5
84.97890	0.7
85.02927	4.5
85.03354	0.8
86.09729	3.6
87.04437	2.2
91.05476	2.1
92.04974	1.1
94.06580	2.1
97.02869	2.6
99.04462	12.2
102.05515	1.2
104.04971	1.7
105.03374	2.8
106.06543	1.8
107.04845	0.7
115.03954	1.7
117.05502	7.3
118.06551	7.4
119.03415	1.6
120.03629	1.6
120.04478	27.5
120.08143	1.0
122.06035	9.5
129.10245	1.1
130.06523	3.8
132.04463	100.0
133.05009	0.9
134.06004	9.2
138.05510	7.8
142.07449	1.1
143.11775	1.3
144.08105	2.6
146.06010	9.7
146.06979	0.6
148.03952	1.0
148.07529	1.1
149.02342	4.9
150.02747	6.4
150.05513	37.5
153.01901	1.4
154.02220	1.9
154.06561	1.5
158.06064	2.5
170.05911	1.4
170.07089	1.2
172.07565	14.7
172.08841	1.2
173.06059	0.9
174.06396	2.2
176.07082	0.8
180.06635	1.6
184.04868	2.0
190.08676	3.8
198.06400	2.6
200.07051	10.3
201.05598	0.8
202.05902	2.9
204.07434	1.5
210.11392	1.0
215.07256	2.1
216.07387	12.8
218.08144	31.9
226.05898	2.0
230.05453	3.1
236.09186	8.8
244.06900	14.9
244.09203	1.2
254.05527	1.0
254.10257	19.0
254.25125	0.9
270.37009	0.8
272.06583	29.6
272.11282	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.201
Annotation	Methorphan
Peak:m/z	Relative Intensity
57.03430	0.7
57.07075	0.7
57.16517	0.3
58.89111	0.3
69.07030	0.4
69.82658	1.7
74.50946	0.3
76.15557	0.3
87.77929	0.3
92.68340	0.4
98.20766	0.4
108.08150	0.4
129.07014	0.4
130.06535	1.6
131.07321	0.8
131.08575	0.5
132.08092	0.6
140.87561	0.4
142.06543	0.4
143.07323	4.3
144.08098	11.9
144.09242	0.7
145.08891	0.9
146.06021	0.4
156.08095	1.2
157.08879	12.3
157.10072	0.6
158.06049	0.9
158.09656	7.2
159.10411	1.0
160.11235	1.6
168.08180	0.4
170.09673	1.2
171.10457	1.0
172.11205	2.8
173.12047	1.5
174.12820	2.0
182.09647	0.4
183.10455	0.5
186.09128	0.7
186.12787	18.1
187.13551	0.8
188.10693	1.2
188.14394	1.2
196.11247	0.4
198.12730	0.4
200.10722	6.4
200.14359	23.7
201.11496	0.9
201.15193	1.5
202.12242	1.1
202.15927	0.5
210.12782	0.7
214.12408	2.5
214.15926	5.0
215.13068	0.5
215.16658	4.2
216.14008	0.7
216.17490	6.2
216.19571	0.4
224.14384	0.7
228.13846	1.9
228.17430	1.7
230.15436	1.0
242.15300	1.6
243.16223	0.7
244.20668	0.7
254.19028	1.1
254.24841	0.5
272.20093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2011
Annotation	2-Nonylquinolin-4(1H)-one
Peak:m/z	Relative Intensity
55.05500	0.8
57.03014	0.5
57.07061	1.0
57.11145	0.5
58.85535	0.5
66.58577	0.5
67.05483	0.7
69.74580	1.8
69.74995	1.2
79.82791	0.6
93.07059	0.6
98.20758	0.8
110.05986	0.8
117.07015	0.7
130.06461	0.7
143.07291	1.2
144.08018	1.3
146.09631	0.7
156.08073	3.3
157.08852	0.7
158.09650	2.1
159.10526	0.7
160.11240	0.8
167.03793	0.5
168.08109	1.6
170.09639	2.4
171.10422	2.3
172.11208	9.6
174.12781	1.2
182.09616	4.5
183.10425	1.0
184.11223	23.2
185.12039	3.2
186.12782	10.7
196.11298	1.8
198.12784	10.0
199.13579	1.1
200.10713	1.9
200.14345	12.2
210.12825	3.5
211.13469	0.7
212.14392	2.3
214.12276	1.7
214.15871	4.0
215.16664	1.3
216.17493	1.0
224.14371	4.6
225.15137	2.8
226.15906	1.5
238.15942	2.5
239.16737	0.8
242.15613	0.7
245.61287	0.6
254.19060	18.0
254.24803	1.6
256.16983	2.3
272.20096	100.0
272.29517	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	273.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13467	8.8
57.03429	13.3
61.02916	12.4
69.03443	24.0
70.06606	100.0
70.95459	23.6
73.02931	17.0
81.03431	11.7
81.04525	23.6
82.99883	8.1
85.02913	72.6
95.06095	12.6
97.02898	20.5
98.03536	34.9
101.00890	12.0
114.05569	15.5
116.07107	58.6
123.04510	10.6
125.07161	25.5
127.03937	24.0
140.04533	14.0
143.01926	46.7
143.08208	12.1
145.04958	13.8
152.07097	27.4
155.01927	16.6
158.05580	53.4
161.02945	25.0
163.03889	11.0
173.02995	33.1
174.04477	11.1
183.05023	19.9
185.02956	10.1
192.05618	12.8
203.04077	28.2
245.04855	11.1
263.06155	31.8
273.04208	47.2
273.11896	50.3
273.18085	52.1
288.52573	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.36872	0.1
55.91682	0.1
57.69047	0.2
59.35574	0.2
64.59827	0.2
65.03963	0.3
67.01873	5.0
67.05502	0.4
68.99792	2.6
69.03439	1.1
69.37242	0.2
69.42748	1.1
70.06606	0.2
72.59377	0.1
79.05495	0.2
81.03399	0.4
81.07043	0.7
83.01348	0.3
85.06578	0.2
89.08176	0.1
91.05486	4.9
93.07030	0.2
94.59158	0.2
95.04977	1.4
97.02895	0.8
98.20812	0.4
98.72950	0.2
105.07050	0.3
107.04961	1.8
107.08581	0.2
109.10152	0.2
111.00822	0.7
111.04447	0.2
119.04947	14.1
121.02906	0.4
121.06509	1.1
122.85297	0.2
123.04437	3.4
123.05320	0.2
123.11729	0.5
125.02335	0.6
129.01836	0.3
131.08534	0.2
132.19975	0.2
133.10159	0.3
147.04417	37.0
151.03951	0.7
151.11182	0.2
153.01836	100.0
154.02191	0.3
171.02899	9.4
171.81471	0.2
179.03398	1.3
181.06627	0.2
185.06010	0.2
189.05487	0.9
207.06488	0.2
209.05722	0.2
212.24103	0.2
231.06538	0.4
255.06546	0.4
273.07578	73.4
274.07993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01865	0.2
58.05952	0.2
61.65977	0.2
65.03941	0.5
65.68647	0.2
67.01873	2.8
67.05505	0.2
68.99796	1.6
69.03435	1.6
69.07075	0.2
70.06589	0.2
70.61211	0.5
79.05490	0.2
81.03423	0.3
81.07058	0.5
83.01330	0.4
84.08121	0.2
84.97968	0.2
91.05486	6.8
93.07073	0.2
95.04971	2.1
95.08601	0.4
97.02921	1.0
105.07008	0.4
107.04959	2.3
107.08640	0.3
109.10197	0.2
111.00827	0.5
111.04475	0.2
119.04952	17.7
119.08589	0.3
121.02895	0.4
121.06522	0.6
123.04440	4.8
125.02343	0.2
131.08574	0.2
133.10133	0.3
137.05981	0.2
147.04420	44.9
151.03920	0.7
153.01837	100.0
154.02217	0.4
157.10065	0.3
159.11639	0.2
171.02917	2.2
171.04266	0.3
179.03410	1.0
181.06567	0.2
189.05437	1.0
207.06468	0.3
221.00261	0.2
227.06952	0.2
231.06569	0.4
237.16043	0.3
255.06532	0.7
255.17300	0.5
273.07581	75.8
274.08124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01861	8.6
55.05505	2.9
56.05022	2.1
56.66721	2.1
56.96541	2.4
57.03442	21.1
58.84830	2.2
61.02922	15.8
66.86456	1.9
67.05516	2.7
69.03085	3.1
69.03431	38.3
69.07053	1.9
70.06211	2.1
70.06598	38.6
70.25549	5.0
70.25938	3.1
71.04980	6.4
72.08163	5.7
73.02919	27.5
75.29316	1.9
79.05480	4.4
81.03438	11.3
81.04538	3.1
81.07059	3.1
84.04496	7.4
84.08129	10.9
85.02909	100.0
86.03214	2.8
86.09688	7.4
87.04478	4.3
89.03909	3.8
90.94807	2.9
91.03951	5.3
93.04530	3.0
95.01363	1.9
95.06081	5.4
96.04585	2.4
96.06380	2.2
97.02893	34.6
97.03465	4.1
98.03537	6.7
99.04446	8.7
101.00896	12.9
101.02364	3.0
102.02415	3.8
107.04892	2.4
109.02878	13.0
110.06022	2.8
110.07167	19.9
111.02961	5.4
111.05582	2.8
111.07498	13.5
112.07602	2.1
112.08710	3.7
113.00871	7.3
115.02461	2.5
115.03186	2.4
116.07079	9.5
117.03417	3.6
119.01933	14.2
123.02937	4.7
123.04411	5.1
125.07084	3.1
127.02459	3.5
127.03922	33.5
129.10236	3.8
130.08670	2.9
131.01935	10.3
132.03445	5.1
134.06006	6.9
135.02901	2.6
135.04430	6.5
137.06001	2.8
138.03427	8.2
139.35904	2.2
140.04587	2.5
143.00304	2.9
143.01904	53.8
143.08090	3.0
144.02057	4.8
144.03348	3.3
145.03481	6.6
145.04953	20.1
147.03998	4.8
152.07059	12.3
153.01822	6.8
153.03926	7.8
155.01923	27.5
157.03471	9.0
158.05620	10.4
161.02963	41.5
162.04448	4.6
163.03902	28.0
164.12585	2.8
165.03923	3.5
167.01854	6.4
170.99782	4.1
171.04976	3.0
173.02974	32.6
174.04483	16.9
175.04543	3.1
181.03456	2.9
182.99106	2.6
183.05037	61.5
183.55139	5.0
185.02959	19.2
189.00851	4.9
189.06041	3.3
191.04028	7.5
192.05573	30.4
192.55600	2.8
197.02957	3.4
201.00159	3.7
201.02113	3.9
203.04012	37.3
203.56406	3.4
209.14804	4.6
215.03992	3.8
219.01834	5.1
221.03169	3.0
221.05040	16.3
227.03986	5.0
227.15764	6.4
233.05045	8.5
235.04463	2.2
239.06105	7.1
245.05122	14.6
246.05112	2.3
255.15381	6.0
263.06146	88.1
264.06473	6.3
273.09116	14.7
273.11743	13.5
273.16153	26.6
275.06229	10.6
281.07257	15.1
282.07346	2.3
293.07159	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	273.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01868	3.4
55.05503	3.0
56.96550	1.0
57.03426	2.3
60.83311	0.7
65.03928	1.2
66.12829	0.6
67.05511	5.6
68.99797	3.4
69.03431	2.5
69.07060	2.1
69.72478	4.2
70.06582	1.5
71.00929	0.7
71.01343	1.8
71.04993	2.1
73.02512	0.7
73.02927	11.8
76.28627	0.8
77.03934	1.4
79.05505	11.1
81.03415	2.8
81.07066	14.6
81.84293	0.7
83.01316	0.8
83.04992	9.2
84.04500	1.2
84.08157	1.5
85.02898	2.6
86.09705	1.7
91.05492	7.9
93.03394	0.9
93.07050	5.5
95.01336	2.2
95.04980	12.7
95.08624	2.5
97.02927	1.1
97.06538	5.2
98.57739	0.6
99.08100	1.2
101.02386	2.2
102.36868	0.7
103.05448	0.8
105.03407	2.2
105.04509	1.0
105.07040	5.2
107.04960	4.6
107.08580	1.3
109.02896	1.9
109.06537	11.0
109.10205	0.8
111.00816	3.2
111.04450	22.2
111.08099	1.7
113.02390	1.5
115.05502	1.2
117.07065	0.9
119.04949	5.2
119.08583	1.1
121.02877	2.3
121.06534	5.5
123.04444	100.0
123.08073	2.3
125.02396	1.7
125.05994	1.8
127.04008	1.3
127.07577	2.6
127.11202	1.1
131.04967	0.8
133.06493	3.3
134.06024	0.9
135.04456	4.1
135.08076	1.3
137.05994	19.2
139.03931	6.8
139.07547	2.1
141.01857	1.0
141.05513	0.8
143.07053	0.7
145.06432	1.3
147.04439	10.4
147.08032	1.0
149.06017	3.4
151.03940	3.6
151.07613	2.0
151.11105	1.2
153.05484	1.0
153.06900	0.9
155.07059	8.7
157.04971	3.8
161.06026	3.6
163.03925	6.4
163.07591	3.4
165.05489	9.4
167.07079	3.7
169.04941	1.2
175.07617	1.3
177.05537	1.0
179.03406	0.9
179.07077	1.7
181.06522	1.1
181.08614	1.7
183.06570	12.7
189.05536	4.6
191.07086	1.3
193.08620	3.1
197.08083	1.1
199.07536	1.1
201.07610	20.2
207.06578	1.3
209.01257	1.5
209.08182	3.3
211.06075	0.9
219.06627	1.3
219.17499	0.8
222.99324	0.9
227.02249	4.0
227.07150	1.5
227.09239	2.8
237.07672	2.6
245.08179	1.3
255.06541	2.1
255.08980	3.5
270.36926	0.9
273.07535	23.0
273.12241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94016	0.9
53.03939	1.9
55.01875	1.9
55.05516	11.7
57.02484	0.8
57.03436	2.4
57.07064	2.4
59.04995	1.0
65.03940	1.3
67.05511	46.2
68.99792	5.3
69.03436	4.5
69.07069	7.3
69.49762	6.1
70.06583	2.5
71.04985	2.7
72.08131	2.5
73.02911	3.7
75.53853	0.9
79.05497	11.6
81.03416	2.6
81.07064	100.0
81.95536	1.0
83.05003	5.5
83.08601	2.2
85.02914	4.4
85.06554	2.4
86.09714	2.0
87.00838	21.0
91.05485	8.9
93.07039	8.8
95.04964	5.6
95.08609	5.5
97.02905	4.8
97.06523	1.7
97.10163	4.7
98.97578	2.0
99.04448	1.7
101.06017	1.0
105.01859	1.5
105.07044	11.6
107.04967	1.4
107.08630	7.6
109.02887	1.0
109.06527	20.1
109.10162	7.9
111.04467	2.1
114.09129	2.2
115.05412	1.2
117.07011	1.4
119.04897	1.5
119.08583	2.8
121.10116	1.1
123.04443	7.3
123.08093	1.9
123.11720	66.9
131.04907	1.0
131.08582	2.2
132.95868	0.9
133.09123	1.2
133.10135	21.2
135.04506	1.0
138.50014	1.1
141.12752	15.1
143.08664	1.1
145.10120	1.7
147.04433	3.6
151.11198	55.3
153.01791	1.6
161.07104	1.3
169.12286	9.8
171.11693	0.9
173.13245	0.9
187.13277	2.4
213.05609	1.2
215.14337	1.0
227.07242	1.0
229.13066	0.8
245.04622	1.4
252.09399	3.8
255.06564	2.1
255.11552	1.4
255.17490	1.3
273.04083	1.5
273.07568	6.5
273.12204	4.0
273.16058	1.4
273.18622	3.0
273.22089	1.4
287.05579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
55.05516	1.0
56.05045	3.4
56.96564	0.8
57.07085	3.0
57.07321	0.5
59.05008	1.9
60.04540	5.7
65.03940	0.8
67.05510	11.5
68.05087	0.5
68.52599	0.5
69.07074	2.7
70.04542	1.3
70.04926	1.0
70.06602	2.5
71.04993	2.5
72.08168	3.0
73.44279	0.5
79.05511	1.1
79.46608	0.5
81.07065	2.1
82.06583	0.9
83.05013	0.8
83.06097	0.8
84.04515	68.0
84.08154	100.0
85.02916	1.2
85.06557	2.9
86.09708	2.8
88.04001	3.2
91.05500	1.2
93.07040	0.6
95.04977	18.4
95.08633	0.7
97.48111	0.5
98.97603	1.1
99.08110	2.3
101.09670	1.9
102.05553	2.1
105.07051	1.4
107.04937	0.9
107.08585	1.0
108.08147	1.8
109.06531	0.5
109.10186	0.9
110.09696	0.7
111.04456	0.9
112.07616	5.7
115.07634	0.5
116.10767	1.1
119.04964	1.7
119.08590	1.3
121.06542	0.7
122.09619	1.0
123.04412	3.1
127.07571	33.3
129.10246	1.6
130.05023	11.2
130.08658	11.3
133.10088	1.0
144.10214	79.6
145.10023	0.6
147.04420	2.2
149.05957	0.8
150.09152	3.5
151.11198	1.2
152.07095	0.9
153.01823	1.7
154.08659	0.6
160.07494	0.6
181.06474	0.8
182.11836	3.5
189.05476	0.9
196.09692	3.8
210.11278	6.1
214.10710	0.7
219.17386	1.8
237.18555	1.4
241.16162	0.6
245.12926	0.7
246.04152	0.6
255.06610	0.8
255.11154	1.2
256.11807	10.6
273.03998	0.8
273.07544	2.7
273.12286	1.5
273.14581	12.8
273.18845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68570	0.4
53.03945	0.7
53.30732	0.3
55.80500	0.4
59.41884	0.4
67.05500	0.7
69.07084	0.6
69.77208	2.1
70.06609	0.5
79.05504	6.7
80.05020	1.7
81.05809	1.1
81.07075	1.1
83.08625	0.4
91.05489	3.0
93.07050	7.1
93.61108	0.3
94.06584	3.4
95.04940	0.5
96.08157	3.8
101.30618	0.4
101.36275	0.4
103.05479	5.2
105.04523	0.4
105.05774	1.0
105.07033	1.0
105.90850	0.4
106.06562	1.0
107.07373	0.6
107.08566	0.7
108.08157	1.1
109.06567	1.1
117.07007	0.5
118.06537	1.8
119.07327	1.8
119.08635	0.4
120.08121	53.8
121.08913	0.5
121.10152	0.6
122.06051	1.8
122.09679	2.9
122.29883	0.4
123.04434	0.7
124.07603	15.0
126.09197	2.5
131.08531	0.5
132.08073	0.4
133.10190	0.6
135.08032	0.5
136.07605	1.2
138.05542	0.4
138.09158	1.1
145.10152	0.8
146.09604	0.4
147.04483	0.6
148.07590	100.0
149.08366	2.5
150.09164	11.4
153.01836	0.9
156.08406	0.4
157.08929	0.5
157.10110	0.8
164.07065	0.5
171.11768	0.7
172.11200	0.8
200.10762	3.3
201.10258	0.5
202.12263	0.8
205.05057	1.8
213.16446	0.6
215.14375	0.5
245.16542	8.1
255.14978	0.7
255.17578	1.1
273.16000	53.2
273.18155	2.5
273.26129	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.05499	4.1
56.13791	0.9
57.07063	2.2
59.04991	1.9
67.05504	9.0
69.03419	2.1
69.07063	3.4
69.45043	2.4
69.45446	5.1
71.04986	4.8
79.05482	5.8
81.07061	7.7
83.04981	4.6
83.08598	2.1
85.00513	1.0
85.06543	5.7
86.29384	0.9
87.39211	1.0
91.05488	6.9
93.07043	8.8
95.04369	1.8
95.04974	29.8
95.08599	5.2
97.06541	2.2
99.08087	1.4
103.00227	0.9
105.07038	17.6
106.30163	1.1
107.08617	11.9
107.85513	1.2
109.06518	28.7
109.10150	8.2
111.08073	4.6
113.05994	1.5
115.05431	1.8
117.07010	4.4
119.08584	24.9
121.06497	1.4
121.10167	6.8
123.04431	3.6
123.08067	17.8
123.11710	2.0
125.09637	1.6
128.06273	2.2
129.06998	3.7
129.88568	0.9
130.07709	2.1
131.08577	16.3
133.06491	1.1
133.10127	11.3
135.08057	8.2
135.11737	2.9
137.05975	1.7
137.09602	12.4
141.07004	1.8
142.07787	6.6
143.08582	10.5
144.09360	2.2
145.10129	38.8
147.08054	4.6
147.11665	15.3
148.07515	2.5
149.09637	2.4
151.07536	3.5
151.11171	4.6
155.08559	4.4
156.09364	10.4
157.10141	27.0
158.08897	1.1
158.10890	4.1
159.08083	3.6
159.11713	15.7
161.09590	7.3
161.13240	3.7
163.11154	4.4
167.08585	2.3
169.10144	5.1
170.10951	3.3
171.07921	1.2
171.11694	21.6
172.12433	2.2
173.09642	10.6
173.13271	26.6
174.10429	3.3
175.11203	9.5
177.12746	4.3
179.10626	1.1
180.09300	1.2
181.10165	2.8
182.10925	4.5
183.11705	4.0
184.12485	1.5
185.09648	2.4
185.13284	10.7
187.11189	16.6
187.12926	1.3
187.13504	1.1
187.14799	8.5
187.66383	0.9
188.11853	1.5
189.12750	18.1
189.16350	1.6
191.14330	1.8
195.11732	3.6
196.12569	2.1
197.13290	14.4
199.11200	10.8
200.11972	2.2
201.12842	2.2
203.14369	5.2
207.11682	2.2
211.14920	5.0
212.15616	3.7
213.12744	3.1
213.16359	15.5
214.13622	1.4
215.14325	47.1
217.12280	8.1
222.14011	1.1
225.12782	1.7
227.14365	1.3
227.17986	2.4
229.15933	3.9
231.13872	1.9
231.17430	18.6
237.16386	4.0
240.15166	1.8
242.06151	1.9
245.18976	2.4
255.17442	31.5
273.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03921	1.9
55.05517	16.3
57.07087	7.8
58.63191	1.1
65.03922	1.3
65.86684	1.2
67.05509	24.4
69.07075	37.7
69.69424	3.4
69.69841	3.6
71.08623	1.6
76.38034	1.1
79.05498	14.1
81.07064	77.9
83.08634	14.7
90.98551	1.1
90.99112	1.1
91.05495	13.4
93.06492	1.9
93.07056	37.2
95.08617	71.7
97.10182	9.0
105.07039	25.7
107.08605	57.8
109.10168	58.0
109.10933	2.7
111.11714	4.5
112.28217	1.1
119.08598	23.5
121.10161	50.2
123.11722	44.3
125.13224	1.7
125.23669	1.2
133.10141	17.4
135.11697	31.3
137.13287	10.2
142.71400	1.2
145.10223	1.3
147.11696	16.1
149.13271	49.6
151.14819	6.7
161.11981	2.3
161.13271	30.2
163.14838	29.5
164.14902	1.3
165.16354	2.3
175.14848	13.8
177.16409	14.0
178.16714	1.2
189.16391	17.9
191.17947	8.8
203.17970	15.7
205.19328	1.3
208.42496	1.1
217.16228	1.4
217.19545	30.5
231.21030	3.8
263.14117	1.3
273.25797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	5.7
55.05513	6.0
56.05037	10.6
56.96568	0.9
57.03440	2.1
60.31348	0.6
61.02929	37.9
67.05508	6.2
68.99799	0.6
69.03434	3.7
69.07071	1.3
69.28330	6.0
70.06586	2.0
71.05002	1.5
71.19769	0.6
72.04562	0.6
73.02917	6.4
79.05493	6.2
81.03434	4.0
81.07057	15.8
83.01363	3.7
83.04998	2.0
83.08617	1.5
84.04517	1.2
84.08144	1.7
85.02905	2.9
86.09705	2.7
91.03956	20.8
91.05494	8.5
93.07043	11.4
95.01340	1.3
95.04974	7.1
95.08603	3.4
95.98858	0.7
96.40404	0.7
96.84445	0.6
97.02887	2.3
97.06537	2.0
98.09692	15.2
98.97581	1.6
101.02363	1.3
105.07043	3.2
107.04962	2.8
107.08605	2.4
109.02901	2.9
109.06518	8.4
109.10153	0.8
111.04449	3.1
111.08086	91.4
113.02338	1.0
116.95299	0.6
117.06982	0.8
119.03443	3.2
119.04942	1.0
119.08601	3.3
121.06500	3.7
123.04443	4.9
123.08057	11.8
125.02386	0.8
125.09619	2.1
127.03895	0.8
127.07568	1.3
129.07005	1.0
131.03392	0.8
131.08571	1.8
133.06506	2.3
135.04424	1.3
135.08006	0.7
137.05992	14.3
137.09616	1.4
139.03915	1.0
139.07533	6.9
141.01877	0.9
141.05469	0.7
145.06384	1.0
147.08073	3.6
149.05972	2.0
149.09724	1.5
151.07552	7.3
153.09125	1.0
155.07030	5.2
163.07538	1.1
165.09151	7.9
167.07027	5.0
167.10759	1.1
169.04999	0.7
169.08638	3.0
175.07573	1.5
177.09131	2.0
179.07205	0.7
181.08568	1.4
183.10123	1.2
185.04359	0.8
193.08517	3.6
195.06520	1.0
195.10178	11.8
197.08174	1.0
203.07132	0.8
206.03503	0.9
211.09662	63.0
212.16484	2.6
213.07605	2.3
213.11137	0.9
221.08125	1.4
228.10509	0.7
229.10725	27.6
230.17505	6.0
239.09151	38.4
256.19101	2.7
257.10205	100.0
259.01480	0.8
274.04361	1.3
274.12851	8.9
274.27371	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
56.05033	4.1
66.27229	1.5
68.05022	2.0
69.03434	1.7
69.43315	12.4
70.06596	100.0
72.08158	15.5
81.07034	5.0
81.91762	1.4
82.06600	1.4
84.04531	8.5
84.08144	10.2
86.09713	21.9
92.58172	1.8
95.04961	1.8
95.08577	1.9
96.08163	1.8
98.09695	8.0
106.08716	1.6
108.71397	1.9
113.07096	5.2
115.08671	1.6
116.07099	34.5
120.08109	5.0
123.04445	14.3
124.04762	12.7
124.07626	1.9
130.04985	2.3
130.96275	2.0
136.07599	1.7
139.08684	3.3
141.10213	4.4
143.11797	4.2
144.06573	3.1
144.10225	2.5
151.07547	1.7
152.14439	1.6
157.13405	9.5
159.07664	8.4
161.09189	4.3
163.03914	2.7
172.97334	5.5
176.10307	3.8
181.13350	4.1
184.13330	2.1
185.09241	15.5
185.12805	1.7
193.13416	5.6
196.86856	1.7
210.16054	32.1
214.10757	2.3
239.13927	4.2
250.11092	1.3
256.16586	61.6
274.07861	5.9
274.12759	2.8
274.18784	3.2
274.21231	3.3
274.24658	1.9
274.27460	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2165
Annotation	gamma-Sanshool
Peak:m/z	Relative Intensity
55.05494	0.7
57.07078	3.4
58.06599	0.4
59.04990	0.4
59.71169	0.3
63.01959	0.3
65.09216	0.3
68.04985	0.3
69.07088	0.3
70.06594	5.4
71.08621	1.2
74.65483	0.3
85.10165	0.4
88.07635	7.3
94.07427	0.3
98.58574	0.3
102.09186	1.5
106.08025	0.4
106.08670	3.9
120.08114	0.3
130.06528	1.0
131.07309	1.0
131.08554	0.3
132.08063	0.4
142.06519	0.3
143.07266	0.6
144.08087	3.7
145.08867	1.9
146.09668	1.6
156.08090	0.4
157.08871	2.6
157.10086	0.5
158.09654	2.3
159.10480	3.3
160.11171	1.5
162.12798	0.4
166.93922	0.3
170.09616	0.7
171.10445	0.8
172.11230	1.3
173.12044	1.7
174.12790	9.0
174.14284	0.5
175.13623	0.5
176.14365	1.3
184.11253	2.1
185.12022	1.1
186.12791	15.3
187.13585	1.7
188.14349	9.2
190.12231	0.5
198.12790	0.6
199.13557	1.0
200.12482	0.5
200.14346	9.0
201.15103	1.1
202.12288	1.1
202.15924	9.8
203.12959	0.4
212.14326	3.8
213.15117	1.6
214.15927	3.6
216.13931	2.4
216.17441	4.7
218.19034	1.2
219.63463	0.3
220.17099	0.4
226.15892	4.7
227.16663	2.1
228.17543	1.7
230.15364	1.0
230.24866	0.5
231.16180	0.4
232.16956	0.7
240.17389	0.9
244.16913	0.7
256.20612	19.6
256.26285	3.1
274.21655	100.0
274.27393	52.5
275.22037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0487
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
51.25341	0.1
70.06599	1.0
70.76074	0.4
71.06926	0.3
72.08122	0.2
73.38605	0.2
78.95445	0.2
80.05021	0.3
81.07057	0.4
84.04504	0.4
84.08154	0.2
85.02885	0.2
86.09719	0.9
92.05026	0.3
95.01332	0.5
98.09699	0.3
104.05035	0.3
105.07053	0.3
108.04499	1.0
116.07095	0.2
116.10735	1.0
116.31765	0.2
120.06546	0.3
121.95850	0.2
128.10706	0.3
142.91573	0.2
162.07622	0.2
168.08121	0.2
170.06018	0.4
177.04025	0.2
177.14508	0.2
182.08395	0.7
183.09186	0.2
193.07619	1.8
194.08415	14.7
195.09198	5.2
209.07112	0.5
210.07863	0.8
211.08698	3.0
226.07401	12.5
257.13141	0.3
257.16757	0.3
274.27280	0.4
275.04880	100.0
276.05325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0917
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03952	0.8
55.01887	0.1
67.05502	0.2
69.03440	0.3
70.69721	0.3
71.04991	0.3
73.02917	0.1
77.03939	0.2
79.05487	0.8
79.64706	0.1
81.07054	0.2
82.50921	0.1
83.04989	0.2
84.08130	0.1
84.22478	0.1
85.02902	0.3
91.05521	0.1
95.04958	0.7
95.08620	0.2
105.04514	0.3
107.04970	100.0
108.05308	0.2
111.04472	0.2
113.06001	0.3
117.30141	0.1
119.08595	0.3
121.06509	0.4
123.04448	0.3
127.03921	0.9
130.59413	0.1
133.10181	0.2
135.11761	0.2
149.05997	1.0
151.03922	1.3
151.13094	0.1
153.01926	0.2
169.04987	12.0
257.08191	0.2
275.05881	0.3
275.09149	3.6
275.17325	0.2
275.20267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73212	0.1
53.03922	0.2
55.05501	0.5
65.03934	0.7
67.05506	0.5
69.03439	0.2
69.07085	0.2
79.05484	0.2
81.07063	0.3
83.04993	1.7
85.02907	0.3
91.05486	10.0
93.07036	0.3
94.59542	0.1
95.04984	0.2
95.08616	0.2
96.26595	0.1
98.21518	0.3
103.83326	0.1
105.07033	0.5
107.04974	2.3
107.08571	0.2
108.10214	0.1
111.04450	1.7
117.07043	0.3
119.04948	25.2
119.08585	0.4
120.08143	0.2
121.02917	0.1
121.10164	0.3
123.04411	0.2
128.06194	0.2
129.05516	0.2
131.08548	0.2
133.06483	0.2
133.10115	0.4
138.78552	0.1
145.06491	0.4
145.10170	0.2
147.04419	100.0
147.11685	0.5
148.04799	0.2
148.07565	0.2
149.07945	0.4
150.08167	0.2
159.04333	0.1
159.08183	0.2
163.11226	0.2
169.05099	0.2
169.06425	0.3
173.06033	0.4
175.14767	0.1
187.07594	0.3
189.05516	0.2
199.14876	0.2
201.05482	1.6
202.08669	0.5
215.07013	0.2
217.04956	0.5
217.15927	0.2
257.19052	0.3
275.05280	0.2
275.06216	0.2
275.09119	1.4
275.16611	0.6
275.20105	1.4
275.27673	0.4
276.23218	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	2,3,4-TRIHYDROXY-4'-ETHOXYBENZOPHENONE
Peak:m/z	Relative Intensity
55.05505	0.9
56.72367	0.4
56.92160	0.4
57.71637	0.4
67.05473	1.1
68.99796	0.5
69.03436	0.4
69.07064	0.5
70.16896	1.1
70.17244	0.6
71.01340	0.7
71.04974	0.6
79.05466	0.5
81.07042	1.0
85.06482	0.4
91.05481	1.0
93.07021	1.0
95.08582	1.4
99.04443	0.8
99.67132	0.4
103.05395	0.4
105.06989	1.3
107.04967	2.6
107.08576	0.7
109.06525	0.5
109.10131	0.8
113.02342	0.5
117.07027	1.0
119.01872	0.8
119.04934	0.5
119.08572	1.6
121.06418	0.4
121.10119	1.3
131.04955	0.5
131.08517	1.3
133.10075	1.3
137.09669	0.5
141.07007	0.5
143.01828	0.5
143.08516	0.7
145.03571	0.5
145.06436	1.1
145.10149	1.0
147.04405	2.3
147.07979	0.6
147.11682	0.8
149.09592	0.6
155.08540	1.4
155.10672	1.5
157.10080	0.5
159.08052	2.6
159.11700	0.8
160.05144	0.6
161.09586	0.7
163.07559	2.3
165.06819	0.5
168.05624	0.5
169.06505	0.9
173.05991	3.2
173.09621	0.8
176.04678	1.5
176.14185	0.5
183.08076	3.6
186.06818	0.7
187.07541	5.4
190.06299	2.1
191.07034	22.3
197.05981	2.9
199.14919	0.6
200.04672	0.4
201.09091	3.4
207.27354	0.4
211.07545	8.0
213.05399	0.5
214.06253	3.7
215.07048	8.2
229.08607	21.3
233.08089	64.8
239.07036	4.2
242.05760	6.1
257.08096	47.6
258.08453	0.5
275.09146	100.0
275.19983	2.5
280.22720	0.4
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	Dicranin
Peak:m/z	Relative Intensity
52.11387	0.6
53.03936	2.2
55.01878	11.0
55.05270	0.9
55.05514	14.3
57.03415	1.8
57.07067	1.9
59.04990	0.8
65.03926	1.1
67.05509	22.0
69.03419	1.2
69.06726	1.3
69.07072	14.6
70.06592	0.9
70.17878	0.7
71.04987	3.0
71.78761	0.7
79.05494	21.5
81.03426	2.0
81.07063	36.7
83.04982	3.3
83.08621	4.9
85.06548	1.6
87.32176	0.7
88.07622	1.3
91.05486	48.6
93.07046	20.8
95.01340	1.4
95.04963	3.1
95.08611	16.1
97.06536	21.4
97.10146	3.7
99.08085	1.0
103.05454	2.2
105.07036	79.3
106.08686	1.0
107.04984	7.5
107.08604	11.1
109.06512	3.8
109.10159	6.3
115.05476	0.8
117.07023	10.2
119.08586	38.1
121.06499	2.7
121.10156	6.9
123.08057	2.5
123.11682	2.0
125.09619	1.5
129.07005	1.6
131.07600	1.3
131.08569	20.7
133.06500	0.8
133.10133	50.6
135.08052	3.1
135.11697	3.3
137.09592	2.4
143.08562	2.6
145.10132	12.6
145.14813	0.7
147.11694	19.9
149.09636	6.9
149.13255	2.4
151.11177	2.6
155.08514	1.8
157.10115	2.7
159.08072	1.0
159.11743	7.4
161.09706	1.0
161.13231	3.9
163.11188	2.9
163.14888	0.9
165.09120	2.9
165.42407	0.7
169.10158	1.4
171.11662	2.0
173.11899	1.0
173.13284	2.9
175.11264	0.8
175.14789	0.9
177.12741	1.7
179.14328	2.7
183.11644	2.6
185.13170	0.8
187.11136	1.0
187.14819	0.8
197.13235	2.1
205.12260	0.8
213.00040	1.4
219.13947	1.2
219.17496	2.4
229.19482	1.0
233.15375	1.1
239.18022	2.7
247.20700	4.1
257.19028	7.4
275.04993	1.4
275.20074	100.0
275.27753	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	3.9
54.64120	1.4
55.01861	2.1
55.05523	15.5
57.03434	5.3
57.07065	6.1
59.83491	1.5
62.88086	1.5
67.05508	22.2
69.07085	11.7
69.85841	6.8
70.06573	4.6
71.05006	8.9
71.08639	2.1
79.05501	19.8
81.07066	29.8
83.04980	4.7
83.08616	6.1
85.06534	5.9
88.07635	6.3
89.07964	3.1
91.05492	41.8
93.06567	2.2
93.07056	25.0
95.04961	4.2
95.08624	17.5
97.06542	3.4
97.10156	1.4
98.20818	1.9
101.87670	1.5
102.09146	2.4
103.05447	1.7
105.07042	54.2
106.08683	4.3
107.04956	5.2
107.08599	20.8
108.95974	1.4
109.06548	15.4
109.10177	9.9
111.08073	10.1
117.07025	15.5
119.08596	48.2
121.06516	3.6
121.10142	20.7
123.08069	5.8
123.11719	5.7
125.09704	1.9
129.07025	4.4
130.07834	1.7
131.08589	23.8
133.10146	44.9
135.08072	19.3
135.11708	6.8
137.09622	6.6
141.07001	3.5
142.07811	4.6
143.08595	10.4
143.19203	1.5
144.09354	2.8
145.10146	20.8
147.11681	16.6
149.09671	7.6
149.13237	2.3
155.08516	3.1
157.10162	16.5
158.10922	3.9
159.07845	1.5
159.11717	30.1
161.09644	3.5
161.13298	6.8
163.11197	4.5
163.48038	1.8
169.10199	4.0
171.11729	7.7
173.09505	1.9
173.13293	35.6
174.14049	4.8
175.11200	7.2
175.14848	4.8
177.12743	5.3
183.11687	8.4
185.13246	4.6
187.11234	2.5
187.14832	4.9
191.14336	5.4
193.12250	1.8
197.13277	6.8
199.14847	11.9
201.12784	5.8
203.14275	2.0
213.16400	3.4
215.14366	2.0
215.17987	4.6
217.15932	2.9
229.19693	2.2
239.17993	10.2
257.19016	20.2
257.26733	4.9
275.20084	100.0
275.27759	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.00287	0.5
53.03939	1.5
55.01870	3.1
55.05518	10.2
57.03428	3.0
57.07065	2.1
65.03918	0.7
67.05508	19.4
69.03429	1.1
69.07068	9.1
69.85722	3.3
70.06596	3.1
71.04986	2.2
71.08630	0.7
79.05499	18.2
81.03409	0.8
81.07060	23.7
83.04972	2.6
83.08616	4.0
85.06535	2.2
88.07648	3.1
89.07940	1.1
91.05484	34.6
93.06484	1.1
93.07053	17.8
93.07632	1.3
95.04967	3.8
95.08614	12.1
97.06523	2.5
97.10175	1.7
98.20766	0.6
99.08072	1.1
102.09132	0.6
103.05476	1.1
105.03442	0.6
105.07039	45.2
106.08678	1.3
107.04957	4.0
107.08594	13.6
109.06532	6.2
109.10133	4.7
111.08060	2.5
115.05473	1.0
116.06230	0.6
117.07026	8.8
118.07811	0.8
119.08591	30.9
121.06497	2.5
121.10146	7.7
123.08076	5.4
123.11708	1.5
126.15990	0.6
129.07011	2.6
131.08583	13.7
133.10138	39.4
135.08052	5.9
135.11723	5.3
137.09619	3.2
141.06955	1.0
142.07767	0.7
143.08571	2.5
145.10132	10.7
146.10918	0.7
147.08061	1.3
147.11697	14.9
149.09627	5.4
149.13274	1.8
151.11176	2.5
153.12721	0.6
155.08557	1.7
157.10181	3.1
159.08049	1.1
159.11710	7.4
161.09627	1.7
161.13264	4.7
163.11220	4.7
165.09229	0.7
165.12709	1.1
169.10126	2.4
171.11702	2.3
173.13289	5.1
175.11153	1.3
175.14876	1.2
177.12738	2.0
179.10780	0.8
183.11679	3.0
185.13249	2.6
187.11197	1.1
187.14743	1.0
191.14409	1.2
197.13249	2.5
199.14767	1.0
201.12752	1.6
201.16414	1.7
203.14299	1.9
204.15736	0.6
213.16333	0.9
215.14284	0.7
215.17966	1.2
219.13838	0.9
229.19557	2.0
239.17851	3.9
247.20543	3.1
257.19037	9.3
257.26718	2.0
275.04874	1.0
275.20074	100.0
275.27768	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01864	1.3
55.05503	4.2
59.05016	1.4
67.05508	5.0
69.03422	1.2
69.07064	12.4
69.51253	2.7
69.51665	4.6
71.04974	3.6
72.66698	1.1
79.05514	5.4
81.07048	7.5
83.04965	1.4
83.08636	2.6
85.06533	4.0
88.07650	1.3
91.05479	6.8
93.07046	9.6
95.04941	1.5
95.08599	10.6
97.06530	1.9
99.08029	1.5
105.07032	13.2
107.08595	9.1
109.06533	2.5
109.10167	8.2
111.08089	19.5
111.11710	1.7
113.09660	5.9
113.99980	1.2
117.07030	3.6
119.08585	12.3
121.06522	2.6
121.10156	8.6
121.10947	1.5
122.07263	4.1
123.08071	14.1
123.11710	2.8
127.11224	1.4
129.07005	1.4
131.08571	13.2
132.40506	1.1
133.10149	9.4
135.08055	27.6
135.11668	2.6
137.09607	2.8
139.11177	3.0
143.08571	3.7
144.09416	1.5
145.10109	9.8
147.08089	1.0
147.11688	10.3
149.09628	3.2
149.13295	1.9
155.08479	1.1
156.09357	3.6
157.10144	5.3
158.10951	1.0
159.11685	11.8
161.09586	3.2
161.13260	1.7
163.11191	4.1
165.12730	2.0
169.10179	1.5
170.10976	1.2
171.10284	1.5
171.11708	23.2
173.13274	7.7
175.11223	1.4
175.14807	3.2
176.11951	5.3
177.12709	1.9
181.12256	19.0
181.13818	0.9
183.11769	2.2
187.11214	1.6
187.14827	1.1
188.58658	1.1
189.12737	3.7
191.14313	100.0
197.13235	2.7
199.14813	7.7
201.12796	1.4
213.16406	2.7
215.14313	1.2
215.17918	5.2
217.15919	9.1
231.17436	1.5
233.18861	1.3
239.18013	2.5
248.21967	1.1
257.18948	16.4
275.20062	68.4
275.27756	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	275.2734
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03945	0.9
55.05268	1.0
55.05511	12.7
57.07078	8.0
67.05506	25.3
69.07074	24.3
70.06585	1.5
71.08649	4.6
71.52940	1.3
74.77095	0.8
79.05499	10.5
81.07060	100.0
83.08627	11.9
85.10143	1.2
85.12486	1.0
91.05482	3.2
93.07044	12.3
95.04948	0.8
95.08613	78.3
97.10178	7.9
102.21863	0.8
105.07005	5.1
107.08595	17.0
109.10160	47.3
111.11723	8.5
117.07018	0.9
119.08601	1.9
121.10133	10.5
123.11710	23.9
125.13294	1.8
131.08585	1.1
133.10088	2.1
135.11716	8.6
137.13260	9.3
145.10127	1.5
149.13226	8.1
151.14807	5.1
163.14806	5.9
165.16379	2.6
177.16423	2.4
179.17981	1.1
193.19496	0.9
213.00078	1.0
219.21078	2.0
259.75800	0.8
260.15176	0.8
275.19968	2.5
275.27426	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.108
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
55.93530	0.8
57.03439	0.7
57.07088	1.5
60.04524	5.1
61.63956	0.6
67.05508	4.4
69.07059	0.9
69.56608	2.2
69.57014	1.4
70.06584	1.4
72.08160	1.3
72.93793	0.7
84.04499	2.3
84.08148	35.4
85.02924	0.8
85.06547	39.4
86.09693	2.5
87.00354	0.6
87.00818	3.5
90.94843	0.6
95.04961	1.5
96.04453	0.7
102.09187	39.7
112.07614	13.6
113.05988	0.8
114.05532	1.3
120.08121	0.8
122.02701	0.6
126.09142	1.7
129.10240	1.2
130.05022	1.2
130.08647	8.7
131.07033	0.9
131.95134	0.8
132.10190	1.2
132.95827	1.4
135.04726	0.5
139.03922	1.0
144.10204	100.0
144.95903	0.7
148.09692	6.1
172.09706	4.3
174.96922	2.2
186.11351	0.6
186.96994	1.0
190.10751	26.1
190.12489	1.2
198.07681	3.5
201.12436	0.8
216.08881	0.8
234.09789	3.3
240.08784	2.3
258.09662	3.5
275.99445	1.3
276.10699	7.1
296.15701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1961
Annotation	MGK 264
Peak:m/z	Relative Intensity
53.03933	1.0
55.05517	3.4
67.05506	3.6
68.05019	2.4
69.07079	2.8
70.06595	9.8
70.72321	1.0
70.72681	0.7
72.08157	1.0
79.05500	7.7
80.05016	1.4
81.07047	4.2
82.06596	0.8
83.08611	1.2
84.08121	0.9
91.05477	7.0
91.42161	0.4
93.07062	9.7
94.06553	0.7
95.08076	0.6
95.08613	3.1
96.08116	1.6
98.09696	1.8
98.54758	0.5
100.07627	21.7
105.07034	14.1
106.06572	1.5
106.07305	0.7
107.07360	0.6
107.08601	8.8
108.08118	1.4
109.10133	0.6
114.05554	4.9
116.07132	0.7
117.07005	1.8
119.08581	11.3
120.08105	0.9
120.08940	0.7
121.10162	4.7
128.07095	16.9
129.06999	0.5
131.08565	2.0
133.10141	25.4
133.56949	0.5
134.09653	1.4
135.11682	1.5
136.11194	0.9
140.07121	0.9
145.10138	1.8
146.09660	1.0
147.11691	0.7
148.11200	1.7
152.07074	1.9
154.08650	1.7
159.11720	0.6
160.11221	1.5
161.12071	0.6
161.13263	18.8
162.12799	2.0
163.13600	0.8
163.14812	4.4
164.07106	1.3
164.14360	1.2
165.07896	1.7
171.11923	0.5
172.11185	1.0
174.12770	1.2
176.14305	0.7
178.08705	0.8
178.15950	1.1
186.12737	0.7
188.14365	4.2
192.10158	4.8
202.15883	2.9
204.10237	1.2
206.11833	2.2
218.11789	8.2
230.19083	2.2
232.13243	2.7
232.20570	0.8
233.14133	2.0
234.14946	0.9
246.14998	0.9
247.15710	1.8
258.22107	0.9
276.19638	100.0
276.23184	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	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05513	1.0
57.03439	0.5
59.04760	0.2
59.05009	2.3
70.91441	0.4
73.06541	0.5
83.04990	0.2
85.06568	0.2
96.50993	0.1
97.88018	0.2
113.36076	0.2
118.06546	11.5
119.07304	0.4
121.10259	0.2
129.51344	0.2
132.08092	4.4
133.08870	2.3
134.09656	1.0
137.09593	0.2
138.09964	0.3
146.09651	4.0
147.10408	0.5
154.15683	0.2
160.11255	0.4
161.12015	0.2
176.14348	57.3
211.29926	0.2
216.13997	0.3
216.17508	0.4
218.11864	0.2
232.13307	0.4
233.14113	0.3
258.08673	0.3
263.22711	0.2
276.19580	100.0
277.19922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02666	0.2
53.23169	0.2
55.05515	1.2
57.03438	0.5
57.07064	0.3
59.05006	1.8
69.07053	0.2
69.72309	0.4
69.72734	0.8
70.06605	0.3
70.13365	0.2
72.08138	0.2
73.06555	0.5
73.65594	0.3
81.07063	0.3
87.04443	0.2
88.07642	0.6
93.07045	0.2
94.07401	0.2
95.08608	0.3
98.09702	0.3
118.06551	12.4
119.07278	0.3
120.08081	0.3
132.08113	2.6
133.08894	1.3
133.10143	0.2
134.09642	0.8
146.09634	3.5
147.10454	0.2
148.11223	0.4
160.09824	0.2
160.11234	0.7
176.14360	57.7
177.14676	0.3
197.32309	0.3
214.21663	0.9
216.13930	0.3
216.17497	0.4
218.11789	0.8
234.14844	0.4
246.14967	0.3
250.15901	0.2
275.81824	0.2
276.19608	100.0
277.19922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
52.18660	6.0
64.97498	5.7
68.89037	6.9
70.26511	9.4
70.26896	10.8
72.08159	9.1
83.32819	6.7
84.04504	19.5
102.09190	18.8
105.19226	6.7
130.04971	8.1
130.08675	11.5
138.81474	6.3
139.90956	6.6
148.09685	24.8
201.91890	6.9
239.09685	6.8
277.03293	100.0
277.06732	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95829	7.8
65.02629	8.4
71.51383	7.5
84.04489	21.3
84.58508	6.7
102.09220	16.4
116.50712	7.8
130.92224	6.8
147.14687	7.6
148.09679	28.7
199.93163	7.8
219.52440	7.3
239.56841	7.9
259.13110	10.9
277.03250	100.0
277.06595	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44578	0.7
52.71653	0.8
55.01868	1.9
55.05513	1.4
56.05023	4.0
57.03435	2.4
58.06602	9.7
58.99584	4.1
59.07389	6.3
60.08150	2.1
68.05018	1.0
69.03434	1.1
69.07078	2.1
69.90926	3.7
70.06585	2.1
72.08144	0.9
74.02436	2.1
76.02230	6.6
76.03992	1.1
79.05498	3.6
81.07059	8.3
82.57435	0.8
84.04501	3.8
84.08134	1.6
85.01142	4.0
85.02903	1.0
86.00658	2.8
86.09723	1.5
86.99043	2.8
87.02703	2.7
91.05477	1.1
91.58489	0.8
94.06589	1.4
95.08595	1.4
98.09700	9.5
98.20851	1.6
102.05531	3.7
104.03513	1.0
105.03364	1.3
110.09676	1.4
112.03976	3.1
113.04240	5.1
115.05486	1.6
116.01680	10.6
117.07045	0.8
120.08133	0.9
122.09635	1.1
123.04446	1.7
129.07013	4.0
130.05009	2.1
130.06505	6.9
132.95831	1.4
134.06052	1.6
142.06517	3.5
143.02747	1.4
144.01170	3.3
144.08092	14.2
145.06369	0.9
146.06012	11.7
147.04413	1.6
151.03937	1.8
153.01796	5.6
154.06522	24.2
155.07277	2.3
156.04449	3.9
156.08168	19.6
156.10159	7.1
157.06702	0.8
158.06044	3.3
160.06256	1.5
160.07582	24.8
162.02200	7.2
162.05528	2.5
170.06007	1.0
172.03944	1.2
172.07600	6.5
174.05527	7.9
179.04904	2.6
179.10716	1.2
181.05081	2.5
182.06024	100.0
183.06754	2.6
184.07588	6.8
186.09137	1.4
188.07076	13.7
189.03264	2.0
189.05402	1.4
190.04997	1.8
190.08646	1.6
194.08472	1.0
200.07094	13.6
202.08609	2.6
203.11810	1.1
210.05528	5.4
214.08641	10.4
215.88052	0.9
216.06935	4.4
216.10202	2.4
217.04909	1.1
218.04468	1.0
228.06627	1.8
231.11327	7.8
231.14964	0.9
234.99072	1.1
235.16960	1.1
241.04971	3.6
242.08142	26.9
247.06099	1.5
249.07829	1.0
259.06116	13.8
259.11105	47.4
260.09186	88.8
277.00076	1.4
277.04501	7.9
277.07016	2.9
277.11853	58.1
277.18182	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49200	0.2
53.03931	0.6
54.08177	0.2
54.73822	0.2
55.01877	3.0
55.05266	0.3
55.05516	2.6
55.29306	0.2
56.05037	9.2
57.03442	6.2
57.07067	0.5
57.98789	0.4
58.99589	11.3
61.01139	1.0
65.03902	0.2
66.91618	0.3
67.05489	0.4
68.05027	1.8
69.03414	0.3
69.07080	1.1
70.02944	1.0
70.06582	0.9
70.99580	0.5
71.52643	0.2
72.08163	1.1
73.01148	2.1
74.00677	1.6
74.02444	1.2
74.06084	0.3
76.02232	17.4
76.04002	2.5
79.05498	6.5
80.05015	1.0
81.07060	22.5
82.06577	0.6
83.08598	0.3
84.04507	5.7
84.08153	1.7
85.00649	0.4
85.01132	5.7
86.00658	6.1
86.02409	0.3
86.09697	0.6
86.98540	0.4
86.99053	6.9
87.02696	8.7
88.02223	2.4
90.94738	0.2
91.05488	0.6
93.07045	0.8
94.06567	1.1
95.08604	2.2
96.08142	1.7
97.01107	1.2
97.06522	0.4
97.08878	0.4
98.09698	17.5
99.08092	5.2
100.02167	0.4
102.03738	0.5
102.05544	11.0
102.09185	0.3
104.03477	0.5
105.07039	0.9
108.08121	0.7
110.09698	3.5
111.00790	0.2
111.02676	0.5
111.08103	0.4
112.03971	6.1
113.04236	10.9
114.00140	0.3
114.03757	0.7
114.05529	0.3
115.05796	1.7
116.01683	26.4
116.07043	0.2
119.04913	0.3
120.08088	0.6
122.09669	1.8
123.08072	0.4
123.10472	0.4
127.05795	0.5
129.07303	0.4
130.05017	5.4
130.06870	7.3
130.08611	3.5
132.01080	0.3
132.04486	0.3
132.95872	0.4
136.07581	0.6
139.05740	1.0
143.02748	3.2
144.01147	8.8
145.06004	1.3
146.02676	0.3
146.06009	4.6
147.04395	1.1
148.09698	0.4
156.08423	14.8
156.10199	14.1
156.11502	0.5
157.06805	2.0
160.07596	0.3
162.02211	22.5
171.02222	0.3
174.02180	0.6
174.05528	2.3
174.09508	1.0
175.02451	0.2
175.97130	0.5
177.03328	0.5
179.04863	8.0
184.07962	0.3
188.03781	1.1
189.03287	2.8
191.06969	0.5
202.09059	0.2
204.65320	0.2
213.10590	0.5
213.65440	0.2
216.06906	13.1
216.97867	0.3
231.11436	0.3
233.09305	0.3
234.99040	0.3
235.16869	0.3
242.08466	2.2
259.11124	100.0
260.09222	0.6
260.11670	0.4
277.00046	0.7
277.11859	1.3
277.15210	0.6
277.18170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51891	0.6
55.05517	4.4
56.05037	1.7
57.07078	2.1
60.04519	2.5
68.05017	3.2
69.03419	1.2
69.07070	1.1
69.68991	3.9
70.06596	2.0
71.04976	1.0
72.08160	5.2
74.06097	0.9
79.05473	1.2
81.07050	2.7
84.04514	42.7
84.08154	10.8
85.02905	5.3
85.06552	4.4
85.08473	2.2
86.06062	2.1
86.06887	2.7
86.09724	1.6
88.11264	0.8
90.05544	1.7
93.06970	0.9
95.08602	1.0
96.04481	2.3
98.09684	3.3
101.07144	1.1
102.05570	3.9
102.09191	7.3
103.09515	3.3
110.06079	1.2
110.09682	6.3
112.07588	0.9
113.07941	1.4
114.05545	23.4
120.08141	1.4
121.01653	0.9
127.03783	0.8
128.07094	1.0
129.10271	1.0
130.05019	55.7
130.08641	2.4
131.08960	1.2
136.07549	1.1
138.09148	12.2
142.05013	26.7
144.10229	5.0
145.10579	9.8
148.09671	4.6
153.01831	0.9
155.11752	5.7
156.10240	3.7
160.07635	1.6
181.13370	2.4
184.09712	54.6
190.10707	1.8
191.11098	3.4
199.14571	0.8
201.12361	100.0
202.10757	5.1
203.04002	0.8
210.11334	1.9
227.13928	16.3
235.16975	2.1
245.14996	15.2
277.08136	0.9
277.11667	1.2
277.17987	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	3.1
55.01864	0.9
55.05511	11.4
57.07076	41.0
58.07403	0.8
65.03939	1.4
67.05506	19.4
69.07069	11.7
70.06573	0.8
71.04999	2.1
71.11137	1.6
77.03910	0.7
79.05494	47.0
81.07059	22.3
83.04967	1.3
83.08622	5.6
85.06537	2.1
91.05483	19.3
93.07046	64.7
94.07392	1.1
95.04960	2.9
95.08608	16.4
97.06517	1.3
97.10175	2.1
105.04541	1.3
105.07026	9.0
107.04955	0.9
107.08596	34.9
109.06541	1.6
109.10167	9.0
117.07025	2.8
119.08601	8.7
120.08921	1.0
121.06483	1.0
121.10152	31.2
122.10497	1.0
123.04425	2.3
123.08054	0.9
123.11726	2.3
127.07452	0.9
129.07037	1.1
131.08597	3.5
132.08919	0.9
133.10121	8.1
135.08105	1.4
135.11688	31.0
142.14583	0.8
143.08571	1.5
145.10126	2.8
147.10690	1.1
147.11713	5.8
149.09546	1.1
149.13268	13.1
157.10147	2.2
158.10626	0.8
159.11732	2.9
160.12122	1.2
161.09651	1.5
161.13312	3.6
163.11171	1.0
163.14825	3.1
171.11707	1.5
173.13235	2.2
174.13609	2.0
175.13721	1.6
175.15073	1.1
177.12729	1.1
177.16418	0.9
179.10678	21.6
185.13316	1.8
189.12836	1.1
195.13785	1.6
199.14821	0.9
201.15523	1.6
207.13763	1.8
209.15335	0.9
213.16310	1.5
217.15880	2.2
219.13792	4.7
221.15300	1.8
231.17656	0.7
235.16930	88.7
241.19420	1.5
259.20407	3.9
277.18002	100.0
277.21588	52.4
277.28134	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03939	7.3
55.01873	1.3
55.05513	19.6
57.07056	3.2
64.42335	1.0
67.05507	30.2
69.07071	15.1
69.14272	9.8
69.14680	1.8
73.53750	1.1
77.03915	1.4
77.47047	0.9
79.05494	75.8
81.06588	2.1
81.07057	37.1
81.75259	1.0
83.04981	1.4
83.08636	8.6
85.06545	1.6
88.09851	1.2
91.05486	28.6
93.07044	100.0
95.04949	4.0
95.08612	22.5
96.79194	1.1
97.06524	2.1
97.10170	3.3
101.06032	1.2
105.04498	2.0
105.07031	15.2
107.08595	52.1
109.06517	1.3
109.10173	11.1
117.07016	3.1
119.06008	1.4
119.08575	11.8
121.06535	1.4
121.10144	42.1
123.11691	2.7
129.07034	2.5
131.08543	3.2
133.10115	13.0
135.11694	52.7
137.09570	1.1
140.63188	1.0
143.08572	2.1
145.10179	2.6
147.11708	7.6
149.12186	1.9
149.13266	20.8
157.10146	1.5
158.12912	1.1
159.11700	3.9
161.13251	3.9
163.11266	1.3
163.14803	4.2
167.10455	1.1
171.11690	3.3
173.13254	2.6
175.14766	3.5
185.13217	2.4
193.12314	1.2
195.13818	2.8
199.14835	2.4
203.14435	1.4
207.13812	1.7
213.16422	1.9
221.15358	2.8
231.17371	1.1
235.16962	4.4
241.19534	2.1
259.20496	5.3
277.21628	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84753	0.6
55.05503	1.0
57.03420	2.7
57.07077	1.0
67.05491	2.1
68.05011	1.1
69.07058	0.7
70.06612	1.1
70.75098	1.0
70.75449	0.9
72.07751	1.2
72.08157	24.6
74.02438	21.1
74.02859	1.0
80.11005	0.6
84.04498	7.8
84.08142	12.9
85.02905	43.3
95.04984	1.3
96.04450	0.9
102.05540	1.6
102.09180	54.2
103.72180	0.6
109.67803	0.6
110.09677	3.9
112.07618	3.5
113.05995	1.7
114.05535	4.2
116.07093	3.4
120.08095	3.6
130.05006	4.4
130.08640	100.0
131.03409	2.4
136.07536	0.7
138.09125	4.7
142.04962	4.2
143.05391	0.6
148.09682	13.4
148.10776	1.0
149.02361	2.8
150.09172	0.8
156.10185	5.5
166.57352	0.6
168.10284	1.3
175.08672	1.1
177.95557	1.7
184.09698	3.1
185.10081	1.9
196.09685	7.8
202.10765	27.6
202.12704	2.5
214.10760	4.1
218.03204	0.6
242.10472	4.7
246.13191	0.9
260.11401	3.7
298.18698	0.7
299.80505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.6
57.07075	15.7
65.03944	1.5
67.05505	1.6
69.03442	0.5
70.06593	34.6
70.97254	1.2
71.08619	2.5
72.08125	0.8
74.27594	0.5
77.80123	0.5
79.05491	8.1
81.07048	1.6
84.04481	1.3
85.02911	0.9
91.05482	20.9
95.04931	0.7
95.08607	0.9
97.02924	0.6
97.06582	0.6
98.97575	1.2
99.89381	0.6
101.18585	0.5
105.03396	1.5
107.04946	1.0
109.06506	0.7
109.10128	1.0
110.07184	0.8
114.05541	3.8
116.07095	78.5
118.06567	0.9
119.04953	16.3
121.02889	4.4
121.03876	0.7
121.06493	1.5
123.04426	1.4
136.07578	84.8
139.07520	0.6
142.05136	0.6
145.06517	0.5
147.04419	4.0
149.02345	100.0
167.03404	5.7
185.09978	0.6
196.81691	0.6
202.10783	1.3
203.11145	3.3
205.08591	1.3
219.80241	0.5
220.09616	0.6
234.11304	0.8
262.10757	3.4
279.13354	17.7
279.15985	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	279.17
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.54574	0.5
57.07080	12.5
58.90216	0.4
65.03947	1.0
67.05509	0.5
70.06570	0.5
71.08641	0.8
71.52540	0.5
79.05492	3.0
81.07040	1.0
81.61946	0.5
86.09710	100.0
91.05490	0.7
93.07045	1.9
95.08645	0.5
103.05489	3.8
105.03345	0.6
120.08112	87.3
121.02876	3.9
132.10207	1.9
149.02353	86.9
166.08646	10.5
167.03407	3.2
181.04883	0.5
189.05536	1.0
191.34372	0.5
205.08583	1.1
221.08354	0.5
229.13445	0.7
233.16521	2.2
261.07578	0.7
279.08945	1.1
279.17084	9.8
280.11682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03946	1.1
54.68267	0.4
55.01865	0.6
55.05510	10.4
57.03438	1.4
57.07076	6.8
57.60857	0.5
65.03935	2.7
66.04704	0.5
67.05505	100.0
69.07069	10.2
69.31494	3.8
71.04980	1.2
74.86504	0.4
77.09752	0.4
79.05492	15.0
81.07056	99.2
83.04992	1.4
83.08624	6.1
84.71503	0.4
85.06548	0.8
91.05483	4.5
93.07045	13.4
93.07640	0.8
95.04983	0.6
95.08607	82.6
96.08925	0.5
97.06528	1.5
97.10173	4.3
99.08073	0.7
105.07030	3.8
107.08589	9.2
109.06515	0.7
109.10157	51.1
111.08058	0.8
111.11724	1.6
117.07012	1.6
119.08584	3.7
121.02854	1.8
121.10141	9.1
123.08053	1.8
123.11711	26.4
123.57294	0.4
125.09635	0.8
127.07558	0.8
131.08549	3.9
133.10126	4.3
135.08049	0.9
135.11711	4.7
137.09593	1.6
137.13268	9.4
139.11205	0.6
145.10153	3.4
147.11702	3.6
149.02345	33.9
149.09621	1.9
149.13243	3.1
151.11154	1.7
151.14815	4.1
153.12726	0.6
155.10687	0.9
158.03273	0.7
159.11693	3.1
161.13278	2.6
163.11206	2.0
163.14743	2.3
165.12772	1.7
165.16347	1.0
167.10664	1.3
170.11359	0.4
173.13287	3.5
177.12767	1.5
177.16414	0.9
179.14334	1.2
181.12227	2.5
187.14801	3.9
191.14281	1.2
195.13828	2.3
201.16365	0.6
205.08459	0.8
205.15889	1.6
209.15373	2.9
212.02280	0.4
217.46849	0.4
219.02708	0.5
219.21045	1.2
223.16959	4.2
237.18553	1.3
243.21127	4.4
261.22125	6.8
278.64221	0.5
279.13419	1.1
279.19778	3.7
279.23184	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03951	1.3
55.01872	0.6
55.05521	8.7
57.03451	1.3
57.07085	12.3
59.49053	0.5
65.03955	2.6
67.05515	98.4
69.07079	9.9
71.05006	1.2
71.52296	0.5
73.06586	0.4
79.05506	11.8
81.07070	100.0
83.05013	1.1
83.08636	6.1
85.06541	1.8
90.69241	0.4
91.05487	4.8
92.56443	0.4
93.07059	12.4
95.05006	0.6
95.08622	85.8
96.08911	0.4
97.06546	1.9
97.10191	4.0
99.08089	0.6
101.06032	0.4
105.03411	0.5
105.07048	3.8
107.08613	9.0
109.06549	1.2
109.10173	48.4
111.08103	0.8
111.11752	2.0
117.07024	1.2
119.08600	3.8
121.02905	2.6
121.04087	0.7
121.06548	0.5
121.10159	8.9
122.10354	0.4
123.08098	1.5
123.11731	27.2
125.09643	0.7
127.07579	0.6
131.08598	5.0
133.10173	3.7
135.08055	0.6
135.11693	6.0
137.09613	1.5
137.13280	10.5
139.07666	0.5
141.09131	0.7
145.10164	2.6
147.11699	3.2
149.02370	68.0
149.09641	1.7
149.13280	2.8
151.11192	1.6
151.14836	3.5
153.09087	0.9
153.12679	0.5
159.11690	2.7
161.13290	2.2
163.11215	2.0
163.14801	2.7
165.12758	2.2
165.16441	0.9
167.03445	1.3
167.10716	1.1
173.13295	4.1
175.14871	1.1
177.12798	2.7
177.16417	0.8
179.14351	1.7
179.23178	0.4
181.12306	2.2
183.13780	0.5
187.14812	3.7
191.14336	1.5
195.13828	3.4
201.16451	0.6
205.08629	0.7
205.15877	1.2
209.15431	3.8
215.17900	0.4
219.05679	0.9
219.21074	1.3
223.16927	3.3
237.18538	1.7
243.21107	4.7
261.22168	7.1
273.11221	0.4
279.09485	1.9
279.19922	3.3
279.23227	61.6
279.28729	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	279.2321
Annotation	Hedaol B
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	0.5
55.01872	0.5
55.05512	6.1
55.36161	0.4
57.03449	0.7
57.06789	0.8
57.07077	15.3
59.72617	0.3
65.03944	2.3
67.05507	27.0
69.03419	0.4
69.07072	7.3
71.05003	1.6
71.08643	0.7
71.26160	0.8
79.05494	10.0
81.07058	30.7
83.04975	1.7
83.08614	4.2
85.06542	1.7
85.69361	0.3
91.05484	4.3
93.06483	0.6
93.07048	9.6
95.04969	0.9
95.08611	25.3
97.06512	2.9
97.10163	1.9
98.97559	0.6
99.08083	0.7
105.07033	5.2
107.04910	0.4
107.08605	6.8
109.06556	0.9
109.10162	12.9
111.08073	1.8
111.11727	0.6
117.07002	0.9
118.95888	0.4
119.08573	4.1
121.02869	3.5
121.03987	0.9
121.10152	7.0
123.08038	0.8
123.11699	4.8
125.09632	0.4
131.08588	3.4
133.10135	3.5
135.08073	1.1
135.11685	5.3
137.09653	0.9
137.13237	2.4
145.10127	2.8
147.11674	3.3
149.02347	100.0
149.09625	0.9
149.13246	1.8
151.11177	1.0
151.14841	0.6
153.12726	0.8
156.34727	0.4
159.08101	0.3
159.11671	2.3
161.13252	4.4
163.11212	1.1
163.14809	1.3
165.12762	0.8
167.03433	2.2
173.13297	1.6
175.14809	0.9
177.12743	0.9
177.16353	0.5
179.14333	1.1
181.12306	0.4
183.13736	0.4
187.14822	1.3
189.00706	0.4
190.04948	0.5
191.14394	0.8
195.13828	0.6
201.16307	0.9
205.08670	1.8
205.15918	0.4
219.05667	1.1
219.17455	0.7
223.17009	0.6
243.21078	2.8
252.24081	0.4
261.22110	7.2
279.09311	2.1
279.23187	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	280.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.6
57.07058	2.0
62.14375	0.5
68.05014	0.8
70.06600	12.1
71.52518	1.3
72.08133	1.1
74.06054	0.9
79.05470	0.9
81.07043	1.0
82.06556	2.0
84.08121	2.3
85.15376	0.6
86.06076	10.1
86.09702	4.2
87.10034	1.1
90.94791	0.7
91.05457	0.9
94.06577	11.6
96.08108	1.4
97.08912	1.4
105.07011	1.8
107.04950	0.8
108.08106	1.4
109.02898	0.9
110.35124	0.6
119.04911	1.5
119.08484	0.7
120.08067	1.7
121.08411	1.9
129.07011	1.1
129.10214	0.7
133.06511	1.7
136.07559	2.8
137.06065	0.6
147.04402	2.1
149.02357	9.7
150.02698	11.9
161.05994	7.3
163.03952	4.0
165.05504	1.8
175.03891	1.9
175.07510	1.3
177.05478	8.2
179.03392	2.0
185.05986	2.1
187.03888	4.8
187.07513	1.2
188.10695	4.1
189.05478	54.0
193.04980	21.4
193.06758	0.9
193.08559	1.5
198.09012	0.9
200.10664	2.9
201.05424	0.8
203.07072	3.8
205.93993	0.6
207.06621	1.4
213.05486	4.4
215.07008	2.6
216.10220	9.4
217.08606	5.3
217.10970	4.3
221.08174	1.5
232.09700	9.4
234.11366	1.5
238.96307	1.2
244.09723	13.5
245.10471	2.2
246.95433	0.9
252.12346	4.9
256.97424	1.1
262.10770	91.1
263.09116	2.9
274.98642	0.8
279.98993	1.9
280.11816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96935	1.0
55.01890	1.0
55.05522	5.9
57.03438	1.1
57.07083	5.6
58.07409	3.0
58.23341	1.3
59.05000	5.5
61.02929	2.7
69.03419	3.2
70.06581	4.4
70.13968	4.1
72.08157	4.0
79.05508	2.5
81.03410	2.1
81.07062	2.1
83.04988	68.5
84.04537	1.5
84.08126	3.4
85.02911	16.3
86.09711	7.7
91.05490	3.5
93.59291	1.0
95.08611	1.2
97.02890	4.7
98.21504	1.5
98.97545	1.2
101.06024	100.0
105.07043	1.4
109.02905	1.9
116.07088	2.0
119.04933	4.8
121.02893	1.5
123.08076	2.6
127.03934	2.5
129.10220	2.9
133.06496	2.4
136.07581	1.8
145.04927	3.8
147.04414	14.2
149.02356	26.4
150.02690	26.4
151.07538	2.8
161.05963	1.1
167.03433	1.7
168.03824	1.6
169.08504	1.4
177.05484	2.0
179.06995	1.5
182.04491	1.3
193.04759	1.0
193.08670	1.2
200.07024	1.0
216.07056	1.3
218.08083	1.3
221.08110	2.3
227.09233	1.3
235.09586	3.8
236.09193	2.0
245.10287	5.6
262.10794	3.4
263.09189	8.1
280.06662	1.3
280.11807	2.7
280.15970	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	280.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
57.03439	2.1
57.07077	5.3
58.07410	2.6
59.05004	5.7
59.27869	1.1
61.02938	1.3
64.43208	1.0
65.76219	1.1
68.28838	1.1
69.03448	5.4
69.71876	3.8
69.72287	2.7
70.06594	5.9
72.08157	6.3
72.82763	1.2
79.05500	2.1
79.67327	1.0
81.03429	2.1
81.07059	2.1
82.00121	1.2
83.04985	66.0
84.08146	4.4
85.02906	10.9
86.09708	5.9
91.03938	2.0
91.05483	10.2
97.02895	4.3
101.06023	100.0
119.04943	28.1
121.02862	1.5
123.08034	1.7
127.03905	3.1
129.10237	3.7
133.06509	1.5
136.07579	3.4
145.04964	3.6
145.06557	1.1
146.06883	1.6
147.04417	96.1
148.04753	2.3
149.02351	31.3
150.02689	27.2
151.07529	2.3
158.06966	1.4
160.11581	1.1
161.05937	1.4
163.05946	1.3
167.03418	1.3
168.03796	1.6
180.08598	1.4
190.12247	1.7
193.08524	1.8
220.06801	1.1
221.07979	1.4
235.09679	2.1
236.09172	1.9
236.12892	2.7
245.10327	8.0
262.10809	2.2
263.09198	4.1
280.11731	2.0
280.16125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1911
Annotation	2-Hydroxydendrobine
Peak:m/z	Relative Intensity
55.05516	1.2
56.05032	0.4
57.03439	0.5
57.07093	1.4
58.07416	0.4
67.05518	2.4
68.05025	0.4
69.03397	0.2
69.07058	1.0
70.06583	0.3
70.53221	0.3
70.53593	0.7
71.05003	0.3
74.06070	0.5
79.05509	1.7
80.05015	0.8
81.03394	0.6
81.07069	2.8
82.06585	0.3
83.04997	0.5
83.08613	0.3
84.04506	0.9
84.08138	0.4
85.02919	0.4
86.06059	0.4
86.09717	0.3
91.05497	1.0
93.07075	1.6
94.06593	1.6
95.04964	0.5
95.08615	2.3
96.04507	0.4
96.08128	0.6
97.08888	0.2
97.10191	0.3
98.06052	0.3
98.97597	0.3
105.07025	0.7
106.06580	0.2
107.07327	0.3
107.08601	0.9
107.59202	0.2
108.08144	1.4
109.06498	0.5
109.10188	1.1
110.06064	2.5
110.09699	0.3
112.07612	0.5
112.11230	0.2
116.95158	0.2
117.03349	0.2
119.04877	0.2
119.08596	0.7
120.08097	1.0
121.06498	0.2
121.10201	0.2
122.06006	0.5
122.09687	1.6
123.11658	0.3
126.09151	0.9
130.05020	0.8
133.06485	0.2
133.10182	0.3
136.07581	0.7
136.11221	2.0
137.09601	0.4
138.09123	0.3
147.11728	0.4
148.11191	0.4
149.02367	6.2
150.02701	5.6
150.09148	1.0
150.12762	1.2
151.09930	0.6
151.11130	0.2
152.07085	0.3
152.10709	0.4
153.11545	0.4
154.08641	0.4
154.12274	0.8
155.71471	0.2
162.09219	0.3
164.07085	0.3
164.10735	0.5
164.14369	2.5
166.12276	0.3
166.15848	0.4
167.03513	0.2
168.13869	1.3
176.10698	0.5
178.12300	0.3
180.06668	0.3
190.15916	0.4
192.13870	4.1
193.04285	0.3
194.11842	1.4
194.15350	0.3
196.09714	5.6
196.13351	0.6
206.15369	0.9
208.09714	5.2
209.10522	1.0
210.11275	2.9
210.14925	0.7
220.13330	0.3
221.08200	0.3
236.12863	0.9
238.14412	21.4
245.08167	0.4
249.04469	0.2
254.47404	0.2
256.97586	0.3
263.09198	1.9
271.13953	0.7
272.14752	0.3
276.30838	0.2
280.19098	100.0
281.10233	0.8
281.19626	0.6
285.59311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03947	1.0
57.07074	1.7
58.07404	0.6
66.04266	0.2
75.00414	0.3
79.05498	7.5
84.89714	0.3
86.08086	0.3
95.04981	0.7
103.05473	5.0
105.07035	97.5
108.23121	0.3
118.06550	1.0
129.10442	0.3
137.63626	0.3
146.09715	0.6
149.02354	7.9
150.02679	7.6
151.60562	0.3
167.03421	0.4
167.92384	0.3
176.14342	5.4
193.04329	0.4
236.14261	0.4
280.20612	100.0
281.21149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1021
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
55.01864	1.9
55.05521	2.9
55.50000	1.0
57.03438	2.5
67.01866	3.5
67.05515	6.6
68.99789	2.0
69.03428	3.3
69.07066	1.4
70.06583	4.0
70.88488	2.5
71.01346	2.1
72.08151	4.0
79.05503	5.7
81.07055	7.2
82.30907	1.3
82.31477	1.1
83.04977	3.8
84.04497	1.4
84.05315	1.8
84.08138	4.6
85.02905	15.5
86.09691	3.4
91.05467	4.8
93.07040	4.4
95.04961	5.4
95.08620	20.9
97.02918	2.3
97.06518	3.4
101.06033	3.0
102.06344	1.8
102.51225	1.2
103.05514	1.4
105.03391	2.3
105.07047	13.2
105.08613	1.2
107.04989	8.1
107.08582	2.3
108.08096	1.8
109.02862	1.5
109.06545	6.1
115.05401	1.9
117.07001	1.6
119.04952	1.6
119.08594	2.6
120.06563	2.5
121.06522	2.1
123.04440	3.3
123.08047	30.6
128.06175	2.7
129.06969	2.9
129.10170	1.9
130.04976	3.1
133.06506	29.3
135.04381	4.5
135.08035	2.5
136.06192	28.5
137.02380	1.4
137.05974	2.6
139.03917	1.9
143.08514	1.9
145.06512	1.4
147.04398	1.5
147.08046	4.4
149.02266	2.4
149.05988	4.6
150.02615	1.6
151.02835	2.2
151.03952	2.3
151.07556	46.5
152.14334	4.5
153.05457	3.6
157.06438	3.5
159.08128	1.4
161.05989	9.9
161.09587	1.6
162.04131	14.3
163.03899	1.4
165.05428	2.8
165.09108	2.9
167.03386	3.1
167.07007	1.5
169.08632	9.4
171.08018	2.7
173.02339	1.6
175.03885	2.1
175.07578	9.7
177.05489	18.2
179.03441	1.3
179.07037	21.6
180.08722	1.3
185.05933	1.9
189.09111	3.8
191.07109	2.9
191.08633	1.2
192.07686	2.1
193.04985	2.3
193.08626	29.2
197.08109	22.8
199.07510	4.8
201.01965	2.6
201.05492	1.5
203.07042	6.8
207.10217	2.1
217.01416	1.8
217.08601	14.9
219.02959	2.4
219.06471	3.5
221.08104	38.9
221.10173	2.8
227.07121	2.3
235.02374	9.3
235.07599	1.9
235.09662	50.3
237.03877	3.8
237.07556	5.6
245.08157	14.4
263.09186	100.0
264.09613	1.8
281.02911	9.6
281.07462	1.6
281.10547	10.7
281.14868	1.4
281.18622	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	281.1023
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
53.03937	2.8
54.61542	0.9
55.01864	2.8
55.05276	0.9
55.05518	10.1
56.96563	2.5
57.03442	29.9
57.07076	2.8
58.05400	0.9
58.24704	0.9
65.03926	1.9
67.01859	1.7
67.05509	24.4
67.10189	0.9
69.03394	1.7
69.07078	6.0
69.24551	0.8
71.01361	5.4
72.51418	0.8
75.60207	0.9
79.05500	26.3
81.03427	5.2
81.07059	18.8
83.04982	8.9
83.08620	2.6
85.02943	2.1
85.06554	2.3
89.03883	0.7
91.05487	20.3
93.07050	22.3
95.04980	8.5
95.08611	14.7
95.70948	0.8
97.02911	1.7
97.06528	3.6
97.10178	2.0
98.97591	2.5
99.08073	1.1
105.07034	15.2
107.04955	3.3
107.08617	7.8
109.06514	2.9
109.10161	3.3
110.06044	0.9
113.02357	5.8
115.05457	1.6
117.03352	1.1
117.07024	3.9
119.04924	2.2
119.08606	7.4
121.06512	8.5
121.10143	2.5
123.04441	1.4
123.08075	3.1
127.07542	0.9
128.06241	3.4
129.06993	5.1
131.08528	1.8
133.06482	8.1
133.10126	2.9
135.04378	1.0
135.08047	2.4
135.11736	1.5
139.03864	1.0
143.04918	1.8
143.08575	4.6
145.02855	3.7
145.06438	0.9
145.10115	2.9
147.04410	1.6
147.08067	3.3
147.11688	8.7
149.02376	2.1
150.02637	1.8
151.02832	1.5
151.03955	2.4
151.07549	1.1
151.09546	1.1
153.07004	1.2
155.03389	1.5
157.06540	1.1
159.04379	1.4
159.11583	1.2
161.05997	5.1
161.09665	2.4
161.13310	4.7
163.03903	2.1
165.01875	1.5
165.05563	1.1
167.03418	1.7
169.01379	5.0
169.04948	3.0
171.08067	3.1
171.11691	7.4
173.02318	1.2
175.03920	1.2
175.07526	4.9
177.05505	5.2
179.03427	6.9
179.06973	4.4
181.05009	1.5
181.06522	1.6
183.03033	1.4
185.04494	1.2
185.05991	1.3
185.11943	2.6
187.02391	6.6
189.09117	2.3
189.12750	3.4
193.08626	5.4
193.14127	1.7
195.02960	1.6
197.04489	11.3
199.07596	3.2
203.03410	3.9
203.07027	6.3
207.06534	7.1
207.13789	4.9
209.04492	3.1
209.10072	1.9
215.40094	0.9
216.04182	2.8
217.05125	1.3
217.08606	7.8
221.04550	8.6
221.08089	11.6
225.07619	7.8
227.07016	4.4
229.45651	0.9
235.06056	2.2
235.09720	3.6
238.14441	2.1
239.14716	7.5
241.00246	1.8
245.08098	22.3
259.01343	2.7
263.09161	100.0
266.14618	1.0
272.14624	2.3
281.05618	1.1
281.10272	27.9
281.14917	3.6
281.16943	5.0
281.19846	34.1
282.00217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.7
54.15580	0.3
55.04254	2.3
55.05509	0.8
56.05023	0.3
56.50213	0.3
63.52297	0.4
67.05502	0.8
70.02948	0.4
70.06596	0.6
71.01343	0.5
71.51911	0.6
72.08163	1.1
79.05503	0.4
81.04546	12.2
81.07042	0.5
82.05331	6.0
84.08147	0.6
85.02911	1.5
91.05484	0.4
93.07036	0.8
95.04951	0.5
95.08613	2.9
97.07674	0.5
105.07030	1.6
107.04946	0.5
108.05602	0.7
109.02884	0.5
109.06511	0.5
110.07162	0.6
120.08064	0.8
122.07161	20.1
123.07940	100.0
125.09673	0.4
133.06490	3.6
135.04425	0.5
136.06194	1.2
137.05934	0.5
147.08028	0.8
149.02287	0.4
151.02765	0.5
151.07547	5.6
153.01735	0.5
160.04294	1.3
161.05959	0.8
161.09668	0.5
165.07744	5.5
165.09081	0.6
169.08586	1.6
171.08044	0.6
175.07529	0.9
177.05486	0.6
179.07091	2.1
189.09100	1.3
193.08647	2.4
197.08080	1.2
198.41348	0.4
203.07033	0.5
217.08582	2.1
219.06496	0.6
221.08119	2.7
222.55414	0.4
235.07552	0.5
235.09660	7.3
245.08078	1.3
263.09122	8.4
266.75208	0.3
281.10684	77.2
282.79846	0.3
299.05942	0.6
303.15503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65694	2.1
55.01874	3.3
55.05506	3.4
57.03438	4.8
57.07078	85.9
61.02929	4.2
63.04490	34.0
67.05492	4.7
69.03416	14.1
69.07061	4.8
70.49747	6.7
71.04971	3.3
72.08163	2.4
73.02902	2.4
79.05489	4.1
81.03414	3.1
81.07043	5.1
82.06596	3.1
83.04987	2.6
83.08609	2.8
84.04496	10.1
84.08128	5.4
85.02911	54.0
86.06068	9.8
86.09710	4.5
91.05480	4.9
93.07053	4.0
95.05007	3.8
95.08602	6.6
97.02895	3.6
98.06070	2.8
101.09672	2.7
102.05563	3.4
102.15910	2.3
105.07007	5.6
107.08597	6.4
108.08136	27.4
109.10143	4.0
114.05475	4.2
119.08569	3.1
119.10696	100.0
120.08112	5.1
123.08051	4.8
124.78037	2.4
127.03899	6.3
130.05017	33.8
130.06464	2.7
131.08618	3.9
133.06454	3.6
133.10092	3.1
135.08093	4.4
135.11662	3.0
147.08037	3.8
150.12767	7.3
151.02872	3.2
151.07515	6.4
152.14362	54.5
157.07565	2.7
163.03984	3.2
163.11188	3.6
174.12831	3.3
179.07079	3.1
193.04915	3.6
193.08627	3.2
201.05556	2.5
205.05011	3.2
207.10176	3.8
209.89334	2.2
217.12370	2.6
219.06531	7.0
220.13313	6.7
221.08102	4.1
235.09712	5.6
253.00154	2.2
263.09216	9.1
264.16031	6.1
281.12103	9.9
281.18536	37.7
281.22238	7.5
282.09769	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.86562	0.5
55.01886	4.4
55.05504	1.3
56.05037	0.6
56.26571	0.5
57.07074	1.2
58.07416	0.7
65.03959	1.0
66.08234	0.5
67.05496	1.5
67.75168	0.5
68.05029	5.2
68.99789	0.9
69.03413	0.8
69.07061	0.7
69.49225	3.8
70.06596	3.8
72.08153	1.2
73.02928	3.5
74.02442	3.8
79.05486	1.1
81.07043	2.0
84.04503	1.1
84.08150	1.8
85.02895	1.6
85.18728	0.5
86.09715	1.1
91.05479	5.8
93.03411	7.2
93.07036	0.9
95.04971	2.9
96.36665	0.6
97.02892	0.6
103.05464	3.3
105.07027	7.4
107.04951	2.8
109.06425	0.5
110.06047	3.1
110.94794	0.5
114.05538	14.9
117.07024	0.7
118.06513	0.7
119.04919	1.3
119.10700	1.1
120.04479	6.4
120.08114	15.3
120.11007	1.0
121.02883	11.8
123.04488	0.6
126.09138	0.7
129.06970	1.2
131.04927	1.8
132.08090	4.8
135.04396	2.0
135.10487	0.5
137.05920	0.8
138.05492	0.8
139.03905	1.1
145.06439	1.7
147.04419	1.6
149.05974	2.7
151.03922	1.7
151.07587	1.1
153.01842	2.3
153.05429	1.0
159.04478	0.6
161.05965	1.3
163.03909	5.3
165.05495	1.6
166.07280	1.0
167.06982	0.8
167.21620	0.5
173.05951	1.6
174.12788	28.6
175.03899	0.7
175.07497	0.7
177.05478	9.9
179.07066	3.4
180.10243	0.8
181.04951	5.2
187.03926	7.4
191.07057	2.4
193.04967	7.6
194.08139	1.8
195.06555	2.1
196.09673	0.6
201.05441	3.0
203.07127	2.8
205.04965	21.1
207.06548	2.1
209.08113	3.6
218.08215	0.8
219.06531	25.1
220.09850	1.3
220.13341	52.5
221.08095	10.3
229.04938	3.1
236.09196	15.7
237.07538	0.8
238.10728	6.2
240.08714	1.6
247.06015	4.2
264.08920	1.1
264.15973	2.4
265.07114	6.2
282.09753	100.0
282.13040	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	282.1491
Annotation	Bharatamine
Peak:m/z	Relative Intensity
51.02370	0.3
53.03946	0.7
55.01864	0.5
55.05523	1.6
56.05029	0.3
57.03437	0.7
57.07079	0.6
61.23534	0.2
65.03938	0.3
67.05506	8.0
67.78135	0.3
69.03421	0.9
69.07075	1.4
69.15399	2.9
70.06568	0.4
70.93871	0.3
71.04999	0.4
73.02958	0.3
77.03926	0.5
79.05497	25.2
81.03417	0.7
81.07057	6.1
81.41128	0.3
83.04967	0.3
83.08617	0.6
84.04510	0.4
85.02882	0.3
85.70712	0.3
86.06076	1.7
86.17179	0.3
87.04478	3.6
91.05486	2.4
93.07052	5.5
95.04983	2.3
95.08614	10.5
98.06078	0.4
98.97570	0.5
103.05472	54.2
104.07116	4.6
105.04513	0.3
105.06384	0.5
105.07034	5.3
107.04960	27.2
107.08603	4.4
109.06512	0.6
109.09465	0.5
109.10165	6.6
111.08035	0.3
117.07024	0.9
118.06538	2.0
119.07330	2.6
119.08573	3.7
120.04463	0.8
121.02870	1.1
121.06480	2.1
121.10151	0.7
123.08064	0.6
123.11720	0.4
131.04935	21.7
132.08064	0.5
133.10130	1.0
134.09657	51.9
135.11700	0.9
137.09595	1.3
137.13243	0.4
142.32310	0.3
145.68233	0.3
149.06023	2.2
149.13269	2.4
151.14832	2.0
161.13289	1.4
179.14342	1.5
184.13380	1.3
191.24911	0.3
204.17957	0.3
209.82179	0.3
212.12779	0.4
225.19597	0.3
227.12822	0.4
261.20840	0.3
261.80725	0.3
273.15280	0.5
282.14902	100.0
282.20413	20.3
283.15244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05426	0.9
58.06503	0.3
60.54556	0.3
67.05405	1.4
68.04945	0.4
69.03336	0.6
69.06981	0.7
69.07309	0.3
70.06492	2.6
70.09540	1.3
70.47807	0.3
71.01279	0.3
72.08080	0.5
72.47816	0.3
79.05379	1.3
80.04905	1.6
81.06950	1.3
82.06501	0.5
84.04437	0.4
84.08032	0.9
85.02847	0.6
86.06004	0.6
87.04356	13.6
87.04942	1.3
91.05390	0.7
93.06929	2.2
95.04870	0.4
95.08491	1.2
96.08009	1.5
98.05995	0.8
98.09584	1.3
105.06945	0.4
107.08570	1.5
108.08125	2.3
109.06478	0.6
110.09692	2.0
116.07027	0.4
119.04828	0.6
120.04361	0.3
120.08015	0.5
121.02755	1.2
121.06406	0.5
121.10036	0.4
122.09659	1.7
123.04317	0.5
123.10337	0.9
123.11578	0.4
124.11189	0.6
125.58517	0.3
134.09583	0.4
135.07974	0.7
135.11682	3.4
136.11128	1.2
138.08971	0.4
140.10666	0.3
142.62978	0.3
145.06407	0.7
147.04366	1.5
150.12802	3.7
151.03804	1.0
151.13492	1.0
152.14349	14.0
155.03412	3.1
161.05914	0.7
163.03873	0.6
163.07564	3.2
164.10620	0.5
165.05428	0.6
166.08636	3.1
167.03337	0.4
167.20123	0.3
169.04956	1.7
169.06154	0.3
173.05957	1.4
176.06964	0.6
176.10646	0.4
177.05399	0.3
179.03407	3.5
179.06917	0.3
180.10107	0.5
181.04926	0.9
181.10866	0.5
184.09624	0.9
184.13277	0.8
191.07086	4.3
194.11810	2.5
196.13306	0.6
196.16899	0.5
197.04457	6.6
200.10643	0.5
204.10175	0.8
205.08478	0.7
208.13354	3.4
209.08167	1.6
209.14059	1.1
215.07036	0.4
220.13251	0.5
222.11270	1.9
233.08087	1.7
236.16603	0.5
238.11060	1.7
238.18025	100.0
239.18372	0.4
240.12323	12.0
240.14767	0.6
240.19597	0.7
246.11188	0.8
250.36737	0.4
251.09221	2.0
264.12222	1.3
276.99561	0.4
282.13440	44.6
282.17273	2.8
282.20624	87.3
283.13776	0.6
283.21118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.15672	0.6
55.01876	1.0
55.05521	7.3
56.96583	0.6
57.03439	3.3
57.07080	2.2
57.30037	0.6
59.02716	0.6
59.13621	0.5
65.03932	1.1
67.05514	35.3
69.03442	3.9
69.07076	5.8
70.06599	0.7
71.05004	2.8
71.52576	0.8
71.52977	0.8
79.05504	31.7
81.02477	0.6
81.03429	2.1
81.07067	25.0
83.04990	2.1
83.08618	2.1
84.04521	1.1
86.06082	9.5
87.04479	13.6
91.05497	9.9
92.31272	0.6
93.07053	16.6
95.04987	8.1
95.08618	53.6
97.06506	1.0
98.06064	1.2
98.09692	0.8
102.05554	1.3
103.05482	36.5
104.07116	19.6
105.07041	12.8
107.04967	17.9
107.08608	12.3
109.06542	4.0
109.10172	27.0
111.52199	0.8
112.07610	0.7
112.95355	1.2
117.07041	1.6
118.06580	1.7
119.07333	2.2
119.08594	14.9
120.04471	1.0
121.02878	2.3
121.06518	1.0
121.10163	3.4
123.08065	3.9
123.11762	0.9
124.11332	0.7
131.04947	15.4
132.52229	0.8
133.10144	4.4
134.09669	34.1
135.11656	3.8
137.09653	5.9
137.13240	0.9
149.06047	1.6
149.13260	5.6
151.14848	11.0
161.13298	5.1
179.14339	9.0
184.13368	4.1
190.39630	0.6
212.12897	1.9
216.04915	0.5
258.97821	0.8
266.25839	0.8
272.95465	2.9
282.14966	66.5
282.20633	100.0
283.15216	0.9
283.20908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.2
55.01875	0.4
55.05510	0.3
56.89573	0.2
57.07073	0.3
61.02924	0.6
65.03931	1.7
67.05493	0.3
69.03432	7.2
70.95229	0.2
81.03424	0.3
81.07056	0.4
85.02903	0.4
91.05471	0.3
93.07041	0.3
95.04979	0.7
97.02885	1.1
98.20607	0.4
99.04459	0.5
109.02878	0.6
111.04421	1.1
121.02869	100.0
122.03112	0.3
123.73886	0.2
127.03919	4.1
135.11679	0.2
139.03896	1.1
148.46544	0.2
163.11105	0.3
207.30002	0.2
227.12885	0.4
265.06992	1.2
280.93185	0.2
283.08301	1.0
301.43091	0.2
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
53.00340	0.2
53.03928	0.2
55.01875	0.6
55.05510	0.3
57.03440	0.7
57.07084	0.3
61.02931	1.8
61.77818	0.2
65.03942	1.7
67.01871	0.3
67.05503	0.7
69.03433	4.7
69.07066	0.6
69.98942	0.9
69.99323	0.4
71.01379	0.3
73.02911	0.2
76.15154	0.2
79.05485	0.6
81.03424	0.5
81.07051	0.8
83.01326	0.5
85.02890	0.6
89.06020	0.3
91.05456	0.4
93.03397	0.2
93.07070	0.3
93.46246	0.2
95.04979	0.8
95.08640	0.3
97.02890	1.1
97.06550	0.4
97.07367	0.2
99.04443	0.4
105.07039	0.3
107.04945	0.4
107.08593	0.3
109.02907	0.5
109.10114	0.2
110.97631	0.3
111.04442	1.0
121.02871	100.0
121.10178	0.2
122.03201	0.5
123.04443	1.4
127.03925	2.7
131.04930	0.5
133.02835	0.5
139.03876	1.6
145.10100	0.4
149.05972	0.4
151.03925	2.9
158.02252	0.3
159.04460	0.3
163.03891	0.9
167.03387	0.5
169.01558	0.2
169.04970	5.4
171.03003	0.2
175.48221	0.2
177.05557	0.5
179.03406	8.5
181.04956	2.6
183.02988	0.4
185.04495	0.6
186.18813	0.2
187.03888	0.9
192.47484	0.2
195.06497	0.3
197.04462	29.9
201.08881	0.2
205.04962	6.3
209.04430	2.1
209.08022	0.3
212.03395	0.2
221.03935	2.4
221.07948	0.3
221.54297	0.2
223.06017	36.3
229.05377	0.4
230.04439	0.7
232.54698	0.6
237.07558	0.8
239.09164	7.3
242.06351	0.3
247.09654	0.9
251.06783	0.6
265.07169	0.6
265.10721	8.3
283.08170	2.4
283.11737	10.5
283.14932	0.7
284.71527	0.2
297.02649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	Matteuorien
Peak:m/z	Relative Intensity
67.05496	0.3
69.07035	0.3
69.15451	2.0
69.15862	0.4
81.07046	0.3
83.08625	0.3
89.06004	0.5
90.00673	0.2
93.07027	0.3
100.56221	0.2
107.08537	0.3
119.99626	0.2
125.51954	0.3
145.10114	0.3
150.02869	0.2
163.11119	0.4
177.07018	0.4
194.07262	0.8
205.06413	1.0
206.07414	0.3
208.05159	1.1
209.05930	0.6
219.08084	0.8
221.05931	1.5
222.06749	10.7
223.07523	0.4
224.04697	0.4
226.06207	0.4
227.12857	0.3
233.05951	0.4
237.09111	1.0
239.07022	0.4
241.08574	1.2
249.05437	1.3
250.06261	51.9
251.06534	0.5
254.25000	0.2
265.08594	99.5
266.08905	0.8
267.06583	0.8
283.09653	100.0
284.09891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73859	0.5
55.01872	0.8
57.03419	0.9
67.01864	1.0
67.05453	0.6
69.07047	1.8
79.05497	0.9
81.03389	0.6
81.07046	1.2
83.01340	1.3
95.04948	1.7
97.02888	1.2
105.03396	0.9
107.08582	0.5
110.97575	0.9
121.02892	1.3
121.06497	0.9
123.04434	6.0
128.98611	0.5
131.04901	1.3
133.02808	0.7
135.04466	0.7
143.00124	0.7
145.01527	0.6
149.02090	0.7
149.05994	1.1
151.03896	8.8
159.04387	0.6
163.03963	2.9
167.03387	1.5
169.04976	15.6
177.05479	2.4
179.03398	27.5
181.04982	7.1
185.04440	2.2
187.03908	4.0
195.06534	1.0
197.04457	85.7
205.04967	16.8
205.08638	0.5
209.04436	6.1
209.07971	0.6
212.03319	0.7
221.03856	5.5
221.07892	0.6
221.54108	1.0
223.06010	100.0
229.05388	1.0
230.04378	0.7
237.07584	2.1
239.09152	21.2
242.06245	1.2
247.09659	2.4
251.06786	2.5
260.07352	0.7
265.10730	23.0
283.11758	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	283.1176
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
55.01876	0.8
57.03423	1.3
57.07072	0.5
62.31962	0.4
67.01862	1.2
67.05491	1.1
67.49290	0.5
69.03427	1.0
69.07057	1.4
70.96666	0.8
73.02909	0.4
79.05492	1.0
81.03390	0.7
81.07045	1.2
83.01345	1.5
85.02910	0.9
92.64375	0.5
95.04956	1.6
95.98109	0.5
97.02890	1.1
117.07001	0.6
121.02866	2.2
123.04430	4.7
128.98508	0.5
131.04924	1.2
133.02896	0.7
133.28920	0.4
135.04448	0.5
135.08026	0.4
139.03914	0.7
149.05984	0.8
151.03928	8.4
158.02286	0.8
159.04388	1.5
161.02332	1.2
162.25574	0.5
163.03941	2.3
163.11189	0.7
167.03360	2.4
169.04961	17.1
170.95119	0.5
176.02350	0.4
177.05437	1.6
179.03398	24.6
181.04961	7.4
183.03052	0.9
185.04486	2.6
187.03952	3.3
191.03415	0.4
193.05061	0.4
195.06432	0.5
197.04457	85.1
205.04964	18.1
205.08636	0.6
208.03133	0.7
209.04449	6.7
212.03395	1.0
219.10266	0.7
221.03893	4.8
221.08141	0.8
223.06017	100.0
228.04619	0.5
229.05453	0.6
230.04395	1.1
237.07565	1.9
239.09158	23.3
242.06322	1.2
247.09584	2.0
251.06729	1.9
265.10712	24.8
283.11758	37.2
297.02881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1177
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
50.33688	0.6
55.01832	1.5
55.05478	1.7
57.03418	1.3
57.07037	0.9
67.01849	0.9
67.05502	3.2
67.71200	0.5
69.03420	0.7
69.07028	2.5
70.61115	0.5
71.04955	0.7
71.08598	0.7
71.52956	0.9
79.05461	2.4
81.03381	1.1
81.07069	2.8
83.01324	1.1
83.04941	1.3
83.08577	0.8
84.04469	1.7
85.02848	0.9
89.06017	1.3
91.05437	1.7
93.07055	3.3
95.04962	3.8
95.08629	2.7
95.09100	0.6
97.02876	1.1
97.06484	0.9
97.10099	0.8
105.06994	1.3
107.04911	1.7
107.08556	2.1
109.06481	0.8
109.10135	0.7
111.04418	0.9
117.06953	0.7
117.56840	0.6
121.02827	2.0
121.06447	1.1
121.10106	1.6
123.04436	5.0
127.03915	0.5
131.04881	1.8
131.08504	1.3
133.02812	0.9
133.08537	0.7
135.04376	0.9
135.11673	1.9
145.06401	0.8
145.10161	1.3
147.04352	0.6
147.08083	0.8
149.02283	0.7
149.05940	0.6
151.03914	9.5
153.12756	0.8
155.03342	0.6
159.04425	1.4
161.02332	1.1
163.03917	3.0
163.11226	3.5
167.03329	2.2
169.04964	18.1
177.05440	1.7
179.03404	27.9
181.04950	7.0
181.12236	1.2
181.40877	0.6
185.04497	2.9
187.03902	3.5
191.03481	1.0
191.10686	0.8
195.02943	0.6
195.06587	0.6
197.04459	86.3
205.04953	17.3
209.04410	5.7
209.11745	1.4
215.16129	0.8
221.08119	0.9
223.06013	100.0
227.12805	3.0
237.07544	1.9
239.09152	22.0
247.09627	2.4
255.15967	0.9
265.10739	22.3
283.11819	36.5
283.15390	4.9
283.22324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03944	2.6
55.01879	4.2
55.05507	7.9
57.03437	8.5
57.07068	4.6
58.86929	1.9
60.26427	1.7
61.02958	1.7
67.05511	21.3
69.07066	8.0
71.52695	2.5
73.02896	2.5
77.36758	1.7
79.05502	22.6
81.03412	2.1
81.07059	22.8
83.04984	5.7
83.08614	7.7
83.09071	1.8
89.06025	7.9
91.05489	12.2
93.07050	35.3
95.04966	6.2
95.08623	32.6
97.02879	3.4
97.06532	7.6
99.04498	2.6
105.07017	8.2
107.04942	6.3
107.08610	25.8
109.06551	2.7
109.10156	4.1
111.04404	2.7
116.30910	1.8
117.07019	7.6
119.08605	9.7
121.06519	4.5
121.10153	13.8
123.11749	2.6
125.06026	3.2
131.08600	3.2
133.08635	2.3
133.10133	7.8
135.08025	3.6
135.11710	45.1
145.10136	31.7
157.52299	2.0
163.11201	58.8
173.09671	2.5
180.05838	2.5
181.12283	14.7
191.10638	6.8
209.11719	3.6
227.12794	100.0
283.09625	3.8
283.15421	58.0
283.20450	2.9
283.26328	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	283.154
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
50.56006	0.8
53.03939	1.4
55.01865	3.1
55.05503	7.6
57.03437	10.4
67.05507	15.3
69.03377	1.0
69.07076	7.3
71.04979	2.9
79.05496	22.9
81.03416	1.7
81.06654	1.4
81.07065	14.1
83.04970	3.1
83.08627	5.9
86.69983	0.9
88.77712	0.9
89.06011	3.1
91.05486	7.5
93.06490	1.6
93.07049	29.8
95.04967	5.9
95.08610	30.5
97.02892	3.7
97.06532	4.2
98.55936	0.9
99.04465	4.7
105.07043	6.0
107.04955	9.2
107.08603	21.1
109.06483	1.3
109.10152	2.6
111.04453	2.3
111.08106	1.1
113.06004	0.9
117.07006	7.5
119.08574	9.3
121.06528	5.4
121.10157	10.3
125.05994	2.9
130.07715	1.6
131.08568	1.7
133.08652	1.1
133.10153	1.8
135.08040	1.7
135.11700	39.0
139.07458	1.1
143.08560	1.8
145.10126	21.7
149.09612	1.0
155.08464	1.4
163.11189	50.5
173.09682	1.1
181.12244	12.2
191.10767	1.4
209.11760	2.2
227.12791	100.0
255.15938	3.8
265.08768	0.9
265.19452	1.2
283.15396	39.9
283.20410	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	283.154
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.03942	3.4
55.01857	5.8
55.05512	17.9
57.03440	16.7
57.07060	3.1
65.03944	2.1
67.05186	2.3
67.05507	35.8
67.17517	1.8
69.07069	17.6
71.04989	3.0
71.08632	1.9
73.02892	2.8
79.05497	43.1
81.03374	3.5
81.06599	2.5
81.07053	27.5
83.04986	11.3
83.08601	11.1
85.06516	3.5
87.87500	2.0
89.06014	6.9
91.05492	18.5
93.06490	2.8
93.07046	50.0
95.04961	10.3
95.08609	38.1
97.02883	12.1
97.06536	13.1
99.04459	4.0
101.86475	2.0
105.07039	13.7
106.86855	1.6
107.04954	17.3
107.07882	2.7
107.08602	37.0
109.06509	4.4
109.10133	6.3
111.04435	12.3
111.08076	3.1
113.05997	5.9
113.09654	2.8
117.07022	17.3
119.08607	14.6
121.06486	5.7
121.10141	21.0
125.05968	5.9
129.06992	3.8
130.07753	2.4
131.08537	6.8
132.80878	1.7
133.08624	4.2
133.10149	5.1
135.08020	4.3
135.11688	57.0
139.07570	3.4
145.10121	39.1
147.08084	2.4
149.09634	4.2
153.12781	3.4
155.08578	4.2
163.11188	61.7
165.09076	2.2
173.09631	9.3
181.12233	18.5
191.10657	10.8
209.11711	4.6
226.08929	2.1
227.12779	100.0
232.69049	1.8
255.15944	28.4
265.08691	2.0
283.15375	97.3
283.20419	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20992	0.6
53.03926	2.2
53.16356	0.6
55.01874	3.6
55.05505	9.3
57.03440	9.8
57.07063	1.4
65.03924	1.1
67.05181	1.0
67.05507	15.7
69.03410	2.1
69.06775	0.6
69.07069	6.5
70.22785	1.4
70.23176	1.5
71.04976	2.4
73.02902	1.3
79.05497	23.3
81.03407	2.1
81.06593	1.0
81.07059	16.9
83.04992	3.6
83.08617	7.1
85.02914	0.9
91.05471	7.2
93.07047	33.8
93.07639	1.6
95.04977	6.1
95.08608	33.6
97.02909	3.4
97.06537	4.0
97.10162	0.6
99.04482	3.2
105.03382	0.8
105.07033	5.2
106.39769	0.7
107.04962	8.6
107.07875	1.3
107.08598	26.5
109.06514	2.3
109.10137	2.4
111.04436	1.4
111.08094	1.1
113.06052	0.9
117.07024	9.8
119.08585	8.5
121.02868	12.6
121.06516	6.6
121.10151	11.1
123.08053	0.9
124.49907	0.6
125.05974	2.3
130.07753	1.8
131.08549	0.9
133.10126	2.4
135.08035	1.5
135.11696	42.0
139.07520	1.5
143.08577	1.1
145.10127	24.0
145.11296	1.2
153.12727	0.8
163.11180	52.6
173.09579	1.2
181.12238	13.6
209.11713	1.3
227.12784	100.0
283.15405	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08065	0.4
55.05518	0.8
56.07686	0.4
67.05508	0.6
69.07064	0.7
69.50070	0.9
69.50478	2.1
70.06574	0.5
72.08105	0.4
73.06570	0.7
81.07073	0.8
83.08597	0.4
84.04508	0.5
84.08170	2.3
86.09704	0.9
87.04473	2.0
89.06038	100.0
91.05508	0.5
93.07050	0.9
95.04977	0.4
95.08604	0.6
103.05487	1.0
107.07077	2.1
107.08609	0.5
120.08115	7.7
121.02865	3.4
121.06496	0.5
121.08506	0.5
129.10272	2.8
131.07039	0.6
133.08614	40.7
139.03902	1.2
148.07640	0.7
149.02425	0.7
149.07938	1.0
151.03970	1.3
151.09615	0.7
152.14348	0.9
167.03456	0.7
177.05489	1.1
177.11237	10.4
177.12701	0.7
195.02896	0.6
195.12323	1.6
205.05019	1.6
206.18968	0.4
221.13812	0.6
223.02386	1.2
239.14868	2.1
247.06244	0.8
260.19684	0.7
263.73788	0.5
283.07993	0.5
283.17554	11.0
299.03363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03938	4.6
55.01874	4.4
55.05516	22.2
57.03444	7.2
57.07062	12.1
61.31278	2.9
67.05511	36.7
69.03419	6.4
69.06795	2.5
69.07080	27.4
71.05009	21.9
71.08652	3.3
79.05495	32.6
81.06588	4.5
81.07060	70.7
83.04974	8.3
83.08617	17.1
85.06512	2.9
89.06012	10.9
91.05477	39.0
93.06483	4.9
93.07047	73.3
93.93720	2.5
95.04947	10.0
95.08622	39.2
97.06520	11.7
97.10191	13.2
97.28406	3.1
99.08102	3.3
103.05482	4.0
105.06396	5.2
105.07043	66.8
107.04926	5.9
107.08598	51.9
109.06508	11.3
109.10150	26.2
110.91369	3.0
111.04370	2.6
111.08092	4.5
111.11736	5.3
115.05435	5.4
117.07020	16.2
119.08582	57.1
121.06507	13.0
121.10147	100.0
123.08063	8.6
123.11709	5.6
125.09622	4.2
128.06204	6.8
129.06999	11.9
130.07764	10.8
131.08583	47.7
133.08572	4.5
133.10144	41.7
135.08034	12.6
135.11714	16.1
137.09557	4.1
142.07719	6.4
143.08585	21.8
144.09332	5.9
145.09061	4.6
145.10133	65.9
147.11636	13.7
149.13261	3.3
153.12752	4.5
155.08557	4.8
156.09357	2.9
157.10181	22.9
158.10931	6.7
159.08118	4.0
159.11714	16.3
161.09630	35.9
161.13271	3.8
163.11186	10.8
165.07001	4.7
169.10147	5.4
170.10855	3.2
171.11688	10.7
173.13280	93.9
175.11176	6.3
175.14847	10.9
179.08521	3.2
181.10146	7.3
181.12192	2.7
183.11673	5.0
185.09674	3.0
185.13240	8.8
187.11090	3.4
187.14793	8.7
189.12740	3.5
191.14296	12.2
195.11627	7.1
197.13292	6.4
199.14844	7.7
201.16354	4.3
208.12337	3.4
209.13245	12.7
213.12990	3.6
213.16495	3.5
223.14763	9.3
225.16380	4.9
227.14406	7.8
229.05789	2.7
239.17998	3.6
242.73888	2.6
245.99155	2.5
250.06181	5.4
255.21048	8.3
265.08490	5.7
265.19440	12.0
283.06467	4.2
283.09460	14.4
283.15405	8.4
283.20410	80.3
283.27972	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03936	3.5
55.01855	2.6
55.05512	11.5
57.03443	2.4
57.07080	4.3
65.03942	2.1
67.05512	23.7
69.03419	5.6
69.07076	13.7
69.68733	9.6
69.84502	1.9
71.04724	1.5
71.05002	16.9
79.05501	27.9
81.07066	51.8
83.04993	4.4
83.08607	3.6
89.06035	2.6
91.05483	33.1
93.07051	59.0
95.04980	15.2
95.08614	30.2
97.06541	7.7
105.07037	55.4
107.08604	44.8
109.06520	9.6
109.10152	19.5
111.08085	3.4
114.34648	1.8
115.05448	3.6
117.07041	11.2
119.08589	46.4
121.06506	7.8
121.10157	76.0
123.08076	7.6
123.11716	6.8
125.09607	2.4
128.06233	5.4
129.07011	8.1
130.07808	4.1
131.08571	40.9
133.10139	42.0
135.08096	8.5
135.11708	12.7
137.09631	2.3
142.07828	5.4
143.08569	17.9
144.09375	4.1
145.06386	1.9
145.10141	50.4
146.07268	5.0
147.08046	4.4
147.11703	12.1
148.09435	1.8
149.09560	2.6
149.13306	2.7
153.07152	1.9
155.08557	4.2
156.09329	4.8
157.10126	18.9
158.10909	7.0
159.08102	4.9
159.11705	16.1
161.09644	29.6
161.13306	4.2
163.11198	7.8
163.14915	3.9
167.08612	2.1
169.10161	4.2
170.10994	4.0
171.11676	13.2
173.09685	2.5
173.13271	85.8
175.11273	3.1
175.14897	9.6
179.08572	5.2
180.09329	3.2
181.10213	4.9
183.11729	7.4
185.09666	2.1
185.13258	10.2
187.11252	2.3
187.14836	11.9
189.12907	3.2
191.14317	10.9
193.10179	3.7
194.10974	4.2
195.11743	6.0
197.13213	5.6
199.11255	3.2
199.14816	8.0
201.12735	2.0
201.16331	2.6
208.12506	2.7
209.13324	13.3
211.14833	3.0
213.12766	4.3
213.16505	2.7
215.14336	1.9
223.14862	9.1
225.16426	6.6
227.14374	8.9
241.15923	4.2
250.06448	2.3
250.17249	2.2
255.21066	8.9
265.08722	4.3
265.19626	23.2
283.09750	7.2
283.20615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01870	0.2
57.03445	0.3
57.98005	0.1
61.02912	0.2
69.03433	0.2
70.06586	0.4
70.81050	0.4
72.65301	0.1
73.02917	0.2
78.59596	0.1
85.02907	0.4
87.04466	0.4
96.40326	0.2
97.02856	0.2
106.36356	0.1
109.05112	0.4
110.03534	2.1
110.07165	0.2
128.04561	0.6
135.03021	5.5
136.06201	0.6
136.15331	0.2
152.05684	100.0
153.04089	4.4
153.05319	0.2
165.68228	0.1
167.94850	0.2
169.09779	0.2
181.10335	0.1
261.03061	0.2
270.66632	0.1
281.02573	0.2
284.09976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.03434	0.7
59.09618	0.4
65.03944	0.6
65.19513	0.5
67.05512	2.0
68.05040	0.5
69.03455	0.5
69.07074	1.9
70.02978	2.2
70.06600	1.2
70.10638	1.8
72.04537	0.6
72.08170	0.5
79.05495	2.2
80.05035	0.5
81.07058	2.2
82.06581	1.5
83.07370	1.6
83.08608	0.6
84.08147	2.0
86.09690	0.4
86.13379	0.4
88.03986	1.4
90.05565	0.5
91.05498	1.2
93.07043	3.8
94.06570	0.7
95.08614	2.4
96.08159	0.8
97.06536	0.4
97.40491	0.4
98.06038	0.7
105.07043	1.0
107.08581	2.0
108.08134	8.8
109.08897	0.6
109.10136	0.9
110.06020	0.8
111.08112	0.5
112.07602	0.6
116.03475	1.1
118.05047	0.7
119.08595	0.7
120.08107	0.4
121.02876	0.8
121.06506	3.7
121.10142	0.9
122.03238	1.2
122.09673	7.5
123.10445	1.7
124.07600	0.9
126.09139	0.5
128.07066	0.7
131.55241	0.4
133.10141	1.1
134.09680	1.3
135.11705	3.3
136.11241	2.4
137.13280	1.1
138.09145	0.5
140.10744	0.5
142.05020	0.5
150.12796	10.2
151.13586	6.9
152.14368	0.6
156.06540	0.5
161.13203	0.6
164.14412	1.7
166.12212	0.7
166.15927	1.1
167.03432	0.8
168.06557	0.9
171.08905	0.5
175.11113	0.5
176.14371	0.7
178.15918	5.9
179.09413	0.6
180.10144	0.7
186.11331	1.1
194.15442	3.4
196.09772	1.0
198.11240	0.6
198.82855	0.4
210.11276	1.7
210.14923	3.4
211.12096	1.2
212.12872	0.5
220.09612	0.9
224.09209	0.9
229.05054	0.7
238.10826	0.9
238.14308	0.8
238.18048	0.5
240.15970	100.0
241.16313	0.6
242.17589	1.5
248.09236	0.8
266.10269	9.7
266.13254	0.5
266.17441	2.5
284.18585	81.3
284.29489	1.3
285.03986	4.4
285.07584	1.6
285.18900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Supinine
Peak:m/z	Relative Intensity
53.03953	0.4
54.75295	0.4
55.05509	1.5
58.51157	0.4
60.65924	0.4
67.05508	1.6
69.07058	1.2
70.02944	2.2
70.06611	0.4
70.87450	0.7
79.05486	2.4
81.07071	2.0
82.06594	0.5
83.08600	0.5
84.08138	1.0
86.09711	0.8
88.04002	1.6
88.36263	0.4
90.05551	0.5
91.05450	1.0
93.07050	4.5
94.06584	0.4
95.08630	2.1
95.27108	0.4
96.08115	0.5
98.09685	1.6
99.40844	0.4
105.07024	0.9
107.08596	2.1
108.08131	8.9
109.06493	0.5
109.08918	0.9
109.10140	0.5
110.06061	0.9
110.09678	1.7
112.07584	0.5
116.03448	0.5
118.05048	1.1
119.08566	0.6
121.02919	0.6
121.06483	0.8
121.10137	0.4
122.03227	0.8
122.08895	0.6
122.09695	7.3
123.08054	0.4
123.10448	1.3
134.09688	0.4
135.11725	4.4
136.11220	3.1
137.13309	0.7
139.07570	0.5
140.10696	1.3
142.03043	0.3
147.04382	0.7
148.11235	0.5
149.11938	0.5
150.11649	0.8
150.12794	11.3
151.13580	7.2
151.28674	0.4
153.12759	0.5
157.54578	0.4
164.14383	1.8
166.08661	1.1
166.12323	0.9
166.15916	0.7
168.06598	1.3
172.09669	0.8
178.15939	5.3
179.14348	0.5
180.10271	0.7
182.08252	0.6
184.09724	1.7
186.11258	1.2
194.15401	3.0
196.09723	0.8
198.11180	0.9
202.54909	0.4
210.11276	2.2
210.14943	2.6
211.12105	0.7
212.12959	0.4
238.14316	1.0
238.17999	0.6
240.15970	100.0
242.17545	6.2
252.08742	2.9
266.10257	0.9
266.17358	0.5
270.09805	0.8
284.18585	71.9
285.07556	0.7
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
55.05527	1.4
56.05036	0.6
57.03444	0.5
58.99601	0.6
59.04983	0.3
65.19510	0.4
67.05496	1.2
69.07060	1.2
69.67642	1.2
70.02962	2.8
70.06589	0.8
72.04511	0.6
72.08145	0.4
74.06059	0.3
75.99746	0.3
76.02217	1.3
76.04007	0.7
79.05496	2.4
80.05048	0.4
81.03416	1.4
81.07085	2.1
82.06580	0.8
83.04969	0.4
83.07351	0.6
83.08615	0.9
84.04516	1.6
84.08133	1.0
85.02900	0.6
85.06553	0.6
86.09695	1.4
88.04004	1.2
90.05548	0.4
91.05482	1.1
93.07053	3.8
94.06569	0.8
94.36073	0.3
95.04994	0.5
95.07343	0.4
95.08619	1.9
96.08174	0.6
97.02868	0.5
97.06513	0.4
98.06054	0.6
98.09667	0.8
98.97635	0.3
105.07028	1.0
106.05110	0.3
107.05043	0.4
107.08591	2.2
108.08128	8.2
108.08860	0.4
108.40618	0.3
109.08891	0.7
109.10137	0.6
110.06013	0.5
110.09698	1.1
114.09156	0.4
116.01659	0.5
116.03453	0.9
118.05059	1.0
119.08573	0.9
120.08096	1.2
121.02859	1.2
122.03211	1.5
122.09679	6.5
123.10511	1.6
123.11694	0.4
124.07660	0.4
124.11235	0.8
125.05984	0.4
125.09560	0.3
125.25082	0.3
130.05043	0.5
131.08585	0.4
133.10141	0.5
135.11713	3.3
136.07564	0.9
136.11221	2.7
137.13217	0.5
139.07596	0.4
140.10736	0.7
144.01239	0.4
150.09181	0.3
150.12802	10.4
151.13597	6.7
152.05717	0.5
152.10666	0.6
153.12712	0.5
156.08469	0.5
156.10187	0.7
158.08122	0.3
162.02209	0.4
164.07031	0.3
164.14384	1.4
166.12306	0.8
166.15935	0.7
168.06613	0.9
168.10043	0.4
170.08096	0.4
172.09753	0.5
178.15955	4.2
179.04840	0.5
179.14261	0.4
180.10168	0.6
182.08167	0.3
186.11320	1.5
192.13969	0.3
193.05006	0.4
193.12244	0.5
194.15396	2.9
196.09723	0.7
198.11324	0.8
210.11282	1.8
210.14909	2.8
211.12086	0.5
212.12828	0.4
222.14842	0.4
238.10840	0.5
238.14391	0.9
240.15976	100.0
242.17490	4.4
248.09393	0.4
254.17548	0.5
259.11188	0.9
266.10303	3.3
284.18600	70.9
284.29437	0.9
285.03833	0.3
285.07562	0.8
285.12317	0.4
285.18973	0.4
308.08966	0.3
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
51.47899	0.8
53.03942	3.1
55.01875	2.6
55.05511	6.7
57.03440	4.8
63.66106	0.8
65.03946	1.4
67.05509	12.6
69.03423	2.2
69.07065	2.8
69.83929	2.7
69.84349	1.7
70.02928	1.1
70.06600	5.5
71.04997	1.3
72.08160	1.3
75.04482	0.9
79.05070	1.1
79.05502	14.3
81.03425	100.0
81.07074	12.9
83.04991	5.2
83.08145	1.7
83.08624	22.6
83.34647	0.8
83.45231	0.8
84.04504	3.3
84.08143	1.0
84.64865	0.7
85.02917	2.3
86.09711	3.1
91.04913	0.8
91.05489	15.6
93.07043	6.6
95.04980	28.1
95.08594	3.4
97.02887	2.6
97.06535	1.2
97.10177	1.4
98.09749	0.9
98.21452	1.3
98.97569	1.8
100.11272	3.2
103.05511	1.5
105.07042	10.8
107.04964	7.3
107.08606	2.3
109.06521	3.3
109.10168	1.5
110.07154	1.3
110.97637	0.9
111.04449	1.4
111.08086	12.5
114.05537	1.8
115.05448	1.4
116.03519	1.3
117.07055	1.4
117.56406	0.8
119.08595	10.1
120.08112	5.5
121.06504	1.8
121.10168	4.6
123.04481	1.1
123.08057	2.0
123.11687	1.1
129.07027	9.2
130.06508	0.9
131.05008	0.8
131.08554	7.9
133.06491	3.6
133.10161	4.4
135.08061	1.1
136.07628	1.8
137.09558	2.0
142.07773	1.7
145.10088	1.6
147.08055	3.7
147.11696	6.6
149.09592	5.4
153.01823	1.0
157.10153	10.0
164.90691	0.8
165.07062	1.4
165.12813	2.1
169.06299	1.6
170.05965	1.1
175.08818	1.3
175.11211	12.3
182.08372	1.3
193.12256	54.9
195.09206	2.1
196.09996	9.1
201.05444	1.2
209.07162	0.8
210.11517	1.3
211.13272	5.0
212.10730	6.9
217.57843	0.8
219.01868	0.9
224.09476	4.7
225.09013	1.7
227.11772	0.8
231.14034	1.0
238.11075	0.9
239.06831	0.9
239.11818	13.4
240.15935	2.4
241.16290	8.7
242.05760	17.8
242.59665	1.0
249.14980	1.0
267.11322	43.1
267.15820	22.1
270.05234	10.4
285.04053	7.7
285.07596	65.2
285.12335	46.2
285.19214	10.2
285.24130	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03946	2.7
55.01869	2.5
55.05508	17.7
57.03439	29.9
57.07060	6.1
58.06601	2.0
63.00045	1.7
63.48609	1.3
65.03931	1.7
67.05182	2.3
67.05508	29.4
69.03422	5.3
69.07071	14.5
69.66257	5.2
69.66657	2.2
71.04984	7.7
71.08617	2.6
79.05498	22.1
80.48538	1.2
80.91229	1.2
81.03423	79.7
81.06590	2.4
81.07059	43.6
83.04977	13.0
83.08621	31.0
85.02911	38.5
85.06539	4.1
86.09701	1.8
88.48547	1.4
91.05476	27.5
93.07047	21.1
95.04967	29.3
95.08612	15.5
97.02889	4.8
97.06524	6.3
97.10168	2.9
99.08109	1.9
99.53745	1.6
105.06391	2.2
105.07039	25.7
107.04949	5.6
107.08579	9.1
109.06519	5.2
109.10134	6.5
111.04469	2.8
111.08077	11.9
113.05981	2.2
115.05486	1.3
117.07043	2.8
119.08590	25.1
121.06472	1.9
121.10150	14.9
123.08080	3.4
123.11691	10.9
125.09620	1.8
129.06999	9.5
131.08582	11.2
133.06471	5.1
133.10149	10.7
135.11734	1.6
137.09633	2.1
142.07774	2.4
145.10120	2.3
147.08000	2.9
147.11693	32.8
149.09622	7.3
149.13171	1.6
153.01866	1.6
157.10114	13.3
165.12764	13.6
173.09642	1.7
175.11176	17.3
183.13837	1.5
187.03682	1.4
193.12248	76.3
211.13293	62.6
229.14299	3.7
240.23241	33.3
242.05766	27.9
253.08688	2.1
256.47858	1.3
267.15881	16.6
270.05252	17.0
285.07568	100.0
285.16919	99.0
285.28970	26.6
301.15826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.96707	0.6
53.03949	3.2
55.01867	2.2
55.03125	0.7
55.05515	7.5
56.96581	0.7
57.03439	6.4
57.07071	0.7
65.03932	1.1
65.48244	0.6
67.05515	13.0
69.03433	2.7
69.07069	2.8
69.35635	5.7
70.06590	0.8
71.04993	3.3
79.05497	12.7
81.03423	100.0
81.07061	9.3
83.04995	5.7
83.08624	19.4
85.02915	6.1
85.06554	0.8
86.97375	0.7
91.05485	13.4
93.07053	7.1
95.04974	27.6
95.08621	3.4
97.02908	2.5
97.06554	1.9
97.10175	1.8
98.97595	0.8
105.07030	8.6
107.04963	6.5
107.07986	0.8
107.08595	3.7
109.06554	2.3
111.04464	2.0
111.08086	10.2
113.06031	0.9
119.08593	10.9
121.06507	2.2
121.10161	5.9
129.07013	7.4
131.08580	7.3
133.06523	2.9
133.10138	4.4
133.11078	0.8
137.09625	1.8
142.07808	1.1
145.10191	0.8
147.08063	2.5
147.11696	8.6
148.90302	0.8
149.09637	3.7
151.81056	0.8
157.10168	9.8
165.12779	1.7
175.11194	12.8
193.12250	57.2
211.13318	9.1
213.51797	0.7
242.05869	4.4
253.03683	2.2
257.04501	1.0
258.93503	1.0
267.15933	18.2
267.18576	1.3
270.05402	2.3
285.04059	4.2
285.07669	16.3
285.16882	7.1
287.05585	1.8
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
53.03951	3.4
55.01871	2.3
55.05516	7.6
55.85784	0.8
57.02126	0.8
57.03447	6.0
59.70030	0.9
63.54041	0.9
65.03939	1.2
65.82195	0.9
67.05508	12.6
69.03419	2.0
69.07065	3.9
70.06600	1.5
70.49150	1.0
71.03345	2.3
71.05006	2.3
79.05501	12.1
81.03423	100.0
81.07066	13.5
83.04964	6.5
83.08622	25.0
85.02895	4.7
85.06530	1.4
86.09741	1.0
91.05479	16.8
93.07052	7.9
95.04971	27.2
95.08615	6.0
97.02896	3.2
97.06528	1.8
97.10193	2.0
105.07043	11.4
107.04958	5.3
107.08596	3.9
109.06534	3.5
109.10135	2.3
111.04502	2.0
111.08074	10.6
115.05447	1.7
117.07016	2.7
119.08591	9.9
121.06521	1.8
121.10166	4.4
123.08077	1.6
128.06207	1.1
129.07013	7.4
131.08534	6.8
133.06479	2.6
133.10136	4.4
135.11746	1.2
137.06032	1.0
137.09669	1.5
142.07779	1.9
145.03578	1.0
145.10168	2.0
147.08075	3.7
147.11705	8.7
149.09636	4.8
153.01897	1.2
155.04947	1.3
155.79051	1.0
157.10149	12.6
164.66432	1.1
165.12804	3.8
175.11188	12.0
187.04053	1.5
193.12260	61.8
201.05519	2.2
211.13312	10.7
221.05135	1.9
229.04936	6.6
242.05730	11.6
257.04456	2.9
267.10934	2.7
267.15903	17.0
270.05209	7.1
285.03989	23.1
285.07599	53.6
285.12143	3.2
285.16672	8.4
303.13065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	4.1
55.01859	4.6
55.05515	21.5
57.03441	40.4
59.04988	3.4
65.03941	2.0
67.05183	2.6
67.05511	39.6
69.03434	8.8
69.07076	13.0
69.35371	11.8
69.35794	1.9
70.06573	3.7
71.04996	9.0
72.08157	2.4
73.56285	1.4
74.67182	1.8
79.05080	2.6
79.05499	35.5
81.03426	98.8
81.06594	2.4
81.07066	49.2
83.04978	18.3
83.08624	34.5
85.02911	63.3
85.06532	4.1
86.09706	2.3
91.05489	48.8
93.07056	23.1
95.04975	42.0
95.08624	20.0
97.02891	4.9
97.06536	7.8
97.10188	2.8
104.88636	1.8
105.06400	3.0
105.07041	35.1
107.04966	9.8
107.08610	12.9
107.47611	1.8
109.06524	8.9
109.10126	7.2
111.04450	4.2
111.08082	20.5
113.05989	6.0
115.05394	3.8
119.08595	27.2
121.06483	2.5
121.10155	17.8
123.08057	4.8
123.11733	4.1
125.09607	2.1
129.07025	18.3
131.08578	17.3
133.06476	6.6
133.10127	14.6
135.11658	2.0
142.07777	4.1
145.10030	3.1
147.04480	2.2
147.08095	2.7
147.11693	27.6
149.09656	8.8
153.01807	2.6
157.10130	22.9
161.09639	1.7
163.03864	4.9
163.11166	1.8
165.12755	5.7
175.11217	28.9
191.03426	2.4
193.12263	93.4
196.18436	1.9
201.05490	3.9
211.13316	59.2
229.04918	6.3
229.14250	1.8
242.05797	22.7
257.04416	5.2
267.10858	5.4
267.15866	13.8
270.05267	13.7
285.03992	19.1
285.07565	84.6
285.12668	6.6
285.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.52217	2.3
55.01883	3.2
55.05520	16.8
55.05745	4.4
56.11152	2.8
57.07055	3.6
58.85934	2.6
64.07989	2.8
67.05505	25.4
68.22266	2.5
69.03437	4.7
69.07070	59.7
71.04987	9.3
79.05494	11.3
81.07054	37.6
83.08608	6.4
91.05479	20.0
93.07042	31.6
95.04954	11.7
95.08609	42.2
97.06536	20.6
97.10179	8.0
98.21558	5.5
105.07034	69.7
107.08595	36.7
109.06535	26.6
109.10156	28.0
111.08124	6.7
117.07069	2.8
119.08581	83.3
121.06499	8.8
121.10150	31.5
123.08085	6.6
123.11731	20.2
128.06206	3.1
131.08588	9.9
133.10136	48.5
135.08047	16.8
135.11711	21.5
137.09686	4.1
137.13173	3.2
143.08568	6.3
145.10132	23.1
146.07292	6.7
147.08017	2.9
147.11674	21.8
149.13304	4.0
155.08476	5.2
156.09198	3.8
157.10086	6.3
159.11717	12.5
161.09627	100.0
161.13263	9.3
169.10104	6.3
171.11703	5.2
173.13257	4.9
175.11275	5.0
175.14839	59.7
177.16402	12.4
182.11012	4.6
183.11751	6.2
185.13208	13.9
186.55801	2.9
187.14934	3.1
189.12741	3.2
189.16400	5.3
193.15866	14.4
197.13306	10.6
199.14923	4.5
211.14877	12.7
215.18004	6.6
237.16379	2.9
242.05707	18.7
267.21085	12.1
270.05219	8.7
285.07547	43.2
285.22144	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	286.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87276	0.2
50.92176	0.2
53.03943	0.3
57.03426	0.4
61.02922	0.5
69.03432	0.6
69.70952	1.0
70.06599	1.3
79.05486	1.0
81.03390	0.2
84.04479	0.5
85.02917	1.7
86.09695	0.7
89.29151	0.2
91.05509	0.4
97.02894	0.9
106.06557	100.0
107.06886	0.3
109.02964	0.3
116.07073	0.8
118.06534	3.7
120.08161	0.3
124.07605	1.4
130.06584	0.4
134.06052	0.3
144.08015	0.3
145.04939	0.3
145.49031	0.2
148.07584	0.9
160.07556	0.3
240.13515	0.3
268.11938	0.7
286.07916	1.1
287.05637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05513	1.6
56.05032	1.5
57.03437	1.5
58.06603	0.6
59.05005	2.5
60.04512	0.8
61.02932	5.9
68.05041	1.1
69.03436	1.7
70.06596	99.7
71.04994	4.4
71.08635	0.8
71.51157	1.1
71.73134	0.7
72.08163	2.4
74.32339	0.6
79.05498	2.3
81.03415	1.4
81.04564	0.6
81.07066	10.9
82.05332	1.0
82.06567	0.7
83.06107	8.9
84.04516	5.2
84.08157	1.8
85.02908	4.1
86.06065	0.8
86.09699	0.9
87.08122	1.5
91.03997	0.6
93.04549	5.8
93.05453	0.7
95.05071	0.7
95.06094	12.5
96.06870	1.4
97.02891	2.1
98.39616	0.7
99.08136	0.7
101.07117	0.8
104.07121	3.9
106.06557	12.4
107.06054	1.7
107.07093	0.7
109.07642	2.4
110.07171	86.2
111.05562	1.7
111.40422	0.6
112.07611	100.0
112.08828	2.8
113.09648	0.9
116.07101	4.4
120.06842	0.6
121.07706	0.9
122.02736	0.9
123.04436	3.3
124.03954	6.6
124.07595	19.2
126.10226	0.8
127.03887	1.6
129.06599	1.4
130.05031	1.7
136.07623	0.8
140.07074	66.1
146.15903	0.7
147.04361	0.7
147.07668	1.5
152.05655	0.6
154.07268	0.8
155.08118	1.9
156.07709	12.6
157.09750	5.9
158.06638	5.2
163.03915	0.6
163.12317	45.0
165.05450	1.2
166.06088	2.2
170.06639	1.6
170.09224	1.1
173.09172	0.7
176.07677	2.1
185.09232	2.2
188.07690	6.7
190.13422	6.5
193.13405	0.7
197.12959	0.9
208.14479	10.1
210.15985	1.7
212.07567	1.2
212.15169	0.9
214.09238	2.3
219.11333	2.7
224.07663	4.2
233.87598	0.6
236.13956	9.5
240.13429	1.5
240.17084	7.7
242.08751	2.2
243.06058	0.9
244.12953	1.3
254.15010	19.2
268.06610	2.5
268.12881	1.9
268.16510	1.8
269.11389	1.1
286.07547	5.8
286.14020	8.3
286.17593	80.0
287.05557	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05513	1.2
56.05033	1.4
57.03435	1.8
59.04991	2.3
61.02929	6.1
69.03433	1.6
69.32762	1.1
69.33170	3.2
69.44170	0.7
70.06596	55.5
71.04997	5.5
72.08140	1.3
79.05513	3.0
81.07058	12.4
82.05350	1.2
83.06104	11.1
84.04489	3.6
84.08133	0.7
85.02907	3.3
87.04468	0.7
87.08112	1.2
91.03999	0.6
93.04530	6.7
94.06580	0.8
95.06099	15.0
96.06879	1.0
97.02890	1.1
98.06059	0.6
99.08070	0.6
104.07106	7.5
106.06568	1.9
107.06081	2.4
109.07626	0.8
110.07169	100.0
110.34536	0.6
111.05555	2.0
112.07611	55.4
112.08807	2.3
116.07076	1.0
119.01910	0.8
119.06101	0.8
121.07642	2.2
123.04445	1.4
124.03969	2.9
124.07600	4.1
127.03956	1.2
127.08788	0.5
127.37114	0.6
130.05061	0.6
140.07069	35.9
143.01891	0.8
145.04939	0.7
147.04413	1.2
147.07799	0.9
155.08215	2.1
156.07686	13.9
157.09766	2.9
158.06639	5.1
163.12311	54.1
166.06139	2.1
169.13336	0.7
170.06625	1.6
170.09361	0.9
175.03862	1.1
176.07773	0.9
185.09218	1.4
188.07687	5.6
190.13393	9.9
193.13425	1.4
203.03415	1.1
208.14455	12.7
210.15981	0.7
212.15205	0.7
214.09317	1.8
219.11288	2.5
224.07704	4.5
225.16072	0.7
236.13960	9.0
240.17091	7.4
242.08774	2.6
245.04512	0.9
246.80446	0.6
247.14877	0.6
254.15002	22.8
268.06754	2.1
268.16516	1.4
286.07773	4.3
286.14325	4.4
286.17606	91.7
287.05499	6.0
287.17715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05505	0.5
57.07081	10.5
58.06597	2.3
62.05797	0.5
62.06094	7.6
66.02742	0.3
67.05489	1.1
68.99797	0.3
69.05025	0.3
69.07066	0.6
69.52474	2.0
71.08293	0.4
71.08639	5.4
72.08163	0.7
73.10980	0.4
79.05489	0.4
81.07035	1.0
85.10194	2.4
87.04475	0.3
90.09214	0.3
91.05473	0.3
95.08604	0.8
98.21461	0.3
102.35773	0.3
110.69046	0.3
121.02867	0.4
135.04463	0.4
135.51920	0.3
139.91818	0.3
153.01826	1.3
155.71159	0.3
160.11246	0.4
165.01913	0.5
200.10703	0.4
213.05359	0.5
243.06175	0.7
268.30005	4.2
286.07904	3.3
286.18106	1.3
286.31052	100.0
287.05493	11.4
287.31302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03930	0.1
55.01888	0.1
56.61414	0.1
56.96569	0.1
58.67820	0.1
65.03939	0.3
67.01847	0.1
68.99440	0.1
68.99791	1.6
69.03425	0.2
70.09098	0.5
79.05491	0.5
81.03410	0.2
81.07050	0.2
85.02904	0.2
91.05475	0.3
93.07041	0.1
95.04989	0.2
97.02876	0.2
103.05465	0.2
105.03381	0.9
105.04508	0.1
105.07008	0.2
106.01277	0.1
107.04952	0.8
109.02911	0.7
111.00800	1.1
111.04420	0.3
115.05489	0.2
117.07034	0.2
119.04948	0.2
121.02869	5.7
127.03910	0.2
129.07008	0.3
131.04871	0.1
133.02873	0.7
135.04416	0.3
137.02350	1.6
141.06985	0.2
145.06467	0.4
147.04422	1.7
147.11697	0.1
149.02556	0.1
153.01828	9.0
157.06516	1.0
161.05978	0.3
163.03792	0.2
165.01843	3.2
165.90738	0.1
169.06482	0.2
171.04407	0.5
175.03949	0.1
175.07561	0.2
183.02872	1.5
185.06004	1.2
189.05482	0.3
197.06026	0.3
199.03957	0.2
203.03267	0.1
203.07048	0.3
213.05479	2.6
228.02875	0.1
229.04977	0.5
231.06471	1.3
241.00252	0.2
241.04970	1.6
243.06483	0.2
245.04404	0.1
258.05292	2.1
259.01343	0.2
259.06015	0.4
269.04477	0.4
269.12671	0.1
287.05499	100.0
288.05872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
57.11243	0.1
59.83297	0.1
61.21551	0.1
65.03937	0.3
67.01862	0.3
67.05503	0.2
68.99438	0.2
68.99796	1.6
69.00159	0.1
69.03435	0.2
69.35812	0.8
71.05000	0.2
79.05505	0.4
81.03432	0.3
81.07059	0.1
83.01344	0.2
85.02901	0.3
91.05470	0.2
93.07045	0.2
95.04991	0.2
97.02890	0.2
98.20744	0.1
105.03419	0.9
105.07012	0.2
107.04967	1.2
107.08593	0.1
109.02909	0.7
109.10109	0.1
111.00822	1.3
111.04467	0.2
115.05453	0.2
117.07019	0.2
119.08591	0.2
121.02882	5.6
121.03928	0.4
121.06489	0.2
121.91360	0.1
127.03900	0.2
129.06996	0.3
133.02899	0.7
135.04419	0.5
137.02356	1.6
137.09630	0.4
139.05482	0.1
141.06972	0.3
144.08075	0.2
145.06505	0.4
147.04440	1.0
153.01848	9.1
157.06511	1.2
157.40176	0.1
159.11586	0.1
161.05937	0.5
161.13322	0.1
163.03935	0.1
165.01859	3.1
168.08131	0.3
171.04454	0.4
175.03908	0.3
175.07594	0.1
179.03410	0.1
183.02930	1.8
185.06006	1.1
186.09068	0.1
189.05466	0.3
197.06004	0.3
199.03922	0.2
203.03438	0.2
203.07100	0.2
209.11842	0.1
213.05475	2.8
214.15962	0.1
216.04199	0.2
217.05054	0.2
218.51550	0.1
229.04900	0.5
231.06584	1.3
241.04973	1.4
243.06529	0.2
258.05280	2.1
259.06085	0.7
269.04541	0.3
270.14868	0.6
287.05524	100.0
288.05768	0.6
292.68771	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
53.48854	0.1
54.22386	0.1
55.01860	0.1
60.24110	0.1
64.89699	0.1
65.03935	0.3
67.01852	0.2
68.99438	0.1
68.99789	1.7
69.03421	0.2
69.44746	0.4
69.45146	0.2
79.05501	0.5
81.03410	0.3
85.15758	0.1
91.05447	0.1
93.75019	0.1
95.04968	0.1
98.21436	0.2
103.05428	0.1
105.03378	0.7
107.04956	1.0
108.20753	0.1
109.02902	0.6
111.00076	0.1
111.00804	1.3
111.04428	0.2
111.32324	0.1
117.07038	0.1
119.04942	0.2
121.02872	5.4
121.03883	0.2
123.04480	0.1
125.71667	0.1
127.03925	0.2
128.06226	0.1
129.06995	0.4
133.02853	0.8
135.04425	0.4
135.08105	0.1
137.02332	1.9
139.05457	0.1
141.06970	0.2
145.06490	0.5
147.04424	1.3
151.03914	0.1
153.01836	9.0
155.05974	0.1
157.06482	1.0
161.06003	0.3
165.01845	3.0
166.02538	0.1
169.06454	0.2
171.03122	0.1
171.04428	0.5
172.09610	0.1
175.03917	0.2
175.07578	0.1
183.02885	1.5
184.05142	0.1
185.05954	1.1
189.05484	0.3
197.05977	0.3
199.03914	0.2
203.03427	0.2
203.07034	0.3
213.05478	2.6
216.04205	0.1
229.04988	0.3
231.06514	1.0
241.04958	1.7
242.05743	0.1
243.06514	0.2
258.05243	2.0
259.06036	0.7
269.04437	0.4
285.93570	0.1
286.04922	0.2
287.05499	100.0
288.05902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03936	0.1
55.01882	0.1
60.46264	0.1
65.03930	0.2
66.19419	0.1
67.01859	0.2
68.99445	0.1
68.99789	1.6
69.03417	0.2
69.46378	0.6
71.01346	0.1
77.03940	0.1
79.05083	0.1
79.05487	0.5
81.03398	0.3
91.05466	0.1
95.04967	0.1
103.05473	0.2
105.03395	0.8
107.04967	1.1
107.98907	0.1
108.32359	0.1
109.02898	0.7
110.11747	0.1
111.00812	1.5
111.04458	0.2
115.05460	0.2
119.04910	0.1
121.02872	6.2
121.03910	0.3
127.03884	0.3
128.06244	0.1
129.07013	0.4
131.04987	0.1
133.02847	1.1
133.06512	0.1
135.04424	0.4
137.01367	0.1
137.02351	1.9
141.07019	0.3
145.06517	0.4
147.04408	1.2
152.81712	0.1
153.01836	9.1
155.06004	0.1
157.06503	1.0
161.05962	0.4
163.03961	0.1
165.01837	3.5
167.04958	0.1
169.06514	0.2
171.04398	0.7
175.03903	0.3
183.02904	1.4
185.05980	1.0
189.05464	0.3
194.02261	0.1
197.05899	0.3
199.03889	0.2
201.05469	0.1
203.03445	0.1
203.07059	0.3
213.05478	2.5
213.07475	0.2
216.04248	0.1
217.05008	0.1
229.04941	0.4
231.06543	1.3
240.04329	0.1
241.04955	1.6
243.06578	0.3
245.04459	0.2
258.05237	2.1
259.06094	0.8
269.04413	0.4
287.05502	100.0
288.05957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.0
51.02379	0.0
53.03940	0.1
55.01866	0.1
58.99117	0.0
65.03934	0.3
66.68032	0.0
67.01867	0.3
68.99788	1.9
69.03431	0.2
69.58257	0.0
69.85065	0.1
71.01350	0.1
72.50046	0.0
74.09702	0.0
77.03943	0.1
79.05492	0.6
81.03420	0.3
83.01367	0.0
85.02937	0.0
90.32081	0.0
91.05492	0.1
93.03439	0.1
94.04178	0.1
95.01331	0.1
95.04976	0.2
97.02878	0.1
98.20771	0.1
103.05470	0.2
105.03393	0.8
105.04528	0.1
107.04958	1.1
108.02146	0.1
109.02140	0.0
109.02887	0.7
111.00810	1.4
111.04430	0.2
115.05459	0.2
117.07021	0.1
119.04924	0.1
121.02869	6.3
121.03900	0.3
123.04409	0.0
125.02440	0.0
126.03133	0.1
127.03925	0.2
128.06219	0.1
129.01880	0.1
129.07011	0.3
131.04919	0.1
133.02846	0.9
133.06540	0.1
134.03716	0.1
135.04419	0.3
135.08054	0.1
136.01578	0.1
137.02338	2.0
139.05415	0.1
141.06999	0.2
143.04991	0.0
145.02815	0.1
145.06488	0.5
147.04408	1.3
147.08101	0.1
149.02309	0.1
151.03897	0.1
153.01826	9.9
155.04933	0.1
155.06023	0.0
157.06477	1.2
161.02313	0.1
161.05978	0.4
163.03877	0.1
165.01836	3.5
166.02478	0.0
169.06487	0.2
171.02933	0.0
171.04382	0.6
173.05865	0.1
175.03922	0.2
175.07622	0.2
179.03368	0.1
181.01424	0.0
183.02892	1.6
184.05190	0.1
185.05971	1.2
189.05458	0.3
191.03371	0.1
193.01276	0.0
194.02104	0.1
195.04205	0.0
197.05991	0.3
199.03928	0.1
201.05424	0.1
202.06316	0.0
203.03418	0.2
203.07077	0.3
212.04575	0.0
213.05461	3.0
214.05905	0.0
216.04169	0.1
217.04974	0.1
219.06529	0.1
223.03943	0.1
225.05292	0.0
229.04904	0.4
230.05727	0.1
231.06508	1.2
240.04201	0.1
241.04941	1.6
242.05739	0.1
243.06442	0.2
245.04468	0.2
257.04575	0.1
258.05237	2.2
259.06021	0.7
263.05426	0.1
269.04428	0.4
270.04980	0.1
286.04666	0.1
287.05484	100.0
288.05801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.01082	0.1
53.03934	0.2
54.75555	0.1
55.01863	0.2
65.03947	0.3
67.01865	0.3
68.99448	0.2
68.99792	2.4
69.03434	0.2
69.40093	1.1
79.05483	0.6
81.03423	0.4
95.04990	0.2
103.05475	0.2
105.03387	0.9
107.04959	1.2
109.02877	0.8
111.00816	1.4
111.04436	0.3
115.05451	0.3
117.06984	0.2
119.04919	0.2
121.02872	6.6
121.03867	0.4
123.04364	0.2
128.06245	0.2
129.06970	0.4
133.02856	0.8
135.04396	0.3
137.02350	2.0
141.07018	0.3
144.05707	0.1
145.06464	0.5
147.04411	1.5
153.01836	10.5
157.06487	1.6
161.05969	0.4
165.01842	3.7
169.06523	0.2
171.04373	0.6
183.02927	1.4
184.05240	0.2
185.05995	1.1
189.05501	0.3
195.04521	0.2
197.06021	0.3
199.03842	0.1
201.05440	0.2
203.03496	0.2
203.07025	0.3
213.05463	3.5
229.04973	0.4
231.06467	1.3
241.04953	1.2
243.06677	0.2
245.04413	0.2
258.05255	2.5
259.05960	0.8
269.04453	0.3
270.05444	0.1
287.05505	100.0
288.05826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03942	0.3
66.49854	0.1
68.99800	1.5
69.03414	0.2
69.78608	0.8
79.05497	0.5
81.03370	0.1
81.07053	0.1
82.28069	0.1
98.21481	0.3
103.05474	0.2
105.03400	0.8
107.04983	0.9
107.08613	0.2
109.02880	0.6
111.00804	1.4
111.04466	0.2
115.05435	0.2
121.02882	5.8
121.03857	0.3
127.03873	0.1
129.07014	0.2
130.97093	0.1
133.02887	0.8
135.04427	0.3
137.02370	2.2
141.07002	0.2
145.06502	0.4
147.04417	1.2
152.81389	0.2
153.01846	8.5
157.06509	1.0
161.05972	0.5
165.00555	0.1
165.01849	3.0
171.04414	0.8
175.03876	0.2
183.02924	1.4
185.06013	1.1
189.05487	0.3
197.05966	0.3
203.03139	0.2
203.07014	0.2
213.05513	3.0
229.05022	0.2
231.06564	1.1
237.90355	0.1
241.04948	1.4
243.06462	0.2
258.05270	2.4
259.06097	0.7
269.04312	0.3
286.04846	0.2
287.05524	100.0
288.05826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.01875	0.4
55.62768	0.3
59.77850	0.3
68.71755	0.3
68.99792	22.3
69.84217	0.6
69.84621	1.2
70.06563	0.5
72.08156	0.4
84.04493	0.4
91.05488	0.5
92.42703	0.3
98.21481	0.5
99.52436	0.3
103.58239	0.3
105.06998	0.4
109.02888	0.6
111.00806	6.8
115.05418	1.6
117.07001	0.6
121.02872	1.0
124.69059	0.3
128.06229	0.6
129.07027	1.5
131.05003	0.3
133.02872	0.6
133.06442	0.5
137.02394	0.4
139.05415	0.6
141.06978	0.6
143.04912	0.8
145.06477	2.7
147.04442	3.3
149.02341	2.6
153.01825	1.2
155.04919	0.3
157.02834	0.5
157.06479	3.4
159.04445	0.7
161.05977	1.1
163.03880	0.5
163.07684	0.3
167.04977	0.3
169.06528	0.5
171.04417	14.4
172.04796	0.3
173.05989	6.6
175.03914	6.1
177.01848	0.5
177.05423	1.6
183.04419	0.6
185.05981	3.9
189.05472	3.6
191.07085	0.5
195.04442	1.0
197.05992	1.5
199.03912	23.4
201.05484	7.7
203.03406	7.5
203.07062	0.8
213.05466	12.4
217.04971	10.7
218.05803	0.9
219.06531	8.2
223.03961	1.0
225.05460	0.4
227.03412	6.0
231.06525	2.3
241.04953	9.1
242.05693	0.8
245.04462	21.3
251.03239	0.5
258.05292	0.5
259.06027	4.0
269.04480	7.8
270.05310	0.4
287.05505	100.0
288.05823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27811	0.4
55.01869	0.7
56.05033	0.7
57.03424	0.7
68.99800	4.7
69.03432	0.8
69.07067	1.2
69.99968	2.1
70.06597	100.0
70.52357	0.5
71.05001	0.6
71.06959	0.7
72.08164	1.8
77.49241	0.4
84.04514	1.3
84.08154	2.1
85.02923	2.3
86.09709	1.6
97.02922	0.9
98.20808	0.5
98.98475	0.8
107.04975	1.2
107.06055	0.8
109.02865	0.6
110.07183	0.4
111.00808	1.6
112.07613	87.5
113.07929	0.5
113.15923	0.5
115.05522	0.7
116.07126	0.9
118.89274	0.6
120.08127	0.5
121.02864	2.6
123.04455	1.5
124.03980	4.8
125.04326	4.2
125.07121	7.3
127.03918	0.5
129.10271	1.0
137.02370	0.6
140.07074	55.7
145.06541	0.4
147.04440	2.2
149.02357	2.8
151.04063	0.5
152.78302	0.6
153.01843	3.5
157.06560	0.8
158.03067	0.5
159.04332	0.5
165.01866	1.4
165.06654	1.2
166.03326	0.5
171.04449	2.8
171.07690	0.7
173.05969	1.0
175.03949	2.0
177.05467	1.0
179.03421	0.5
185.06009	1.3
189.05440	0.6
197.19833	0.5
199.03929	2.4
201.05502	1.0
203.03383	2.8
213.05466	3.7
217.05014	1.1
219.06619	0.9
224.81064	0.4
226.04094	0.4
227.03522	0.9
231.06575	2.7
241.04951	2.4
245.04520	2.7
258.05347	0.6
259.06012	1.6
265.81259	0.5
269.04315	0.6
269.06110	0.8
269.11844	0.5
269.14865	0.5
287.05518	43.2
287.11011	4.0
287.16354	1.5
288.06039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.85654	0.2
55.05505	0.6
56.96550	0.8
57.03440	1.3
57.07067	0.4
65.03936	1.0
67.05508	8.6
68.99790	0.4
69.03433	1.6
69.07081	0.4
70.15183	0.3
71.05013	1.4
79.05479	0.4
79.19630	0.3
81.03412	0.8
81.07038	0.5
84.08162	0.3
84.96029	0.2
85.02911	0.3
85.06541	0.4
86.09682	0.3
91.05521	0.5
95.04977	5.0
97.02895	2.2
98.97591	1.6
107.04958	0.3
110.97555	0.3
113.06019	2.3
116.98603	0.6
118.06553	6.5
119.07348	0.4
119.08525	0.4
120.08083	0.2
121.02866	0.8
122.03214	0.7
127.03952	0.4
128.98611	0.3
131.07269	0.3
132.08087	2.4
133.08856	1.3
134.09650	0.7
143.00192	0.3
146.09659	2.3
147.04439	0.5
147.10353	0.3
148.02110	0.3
148.04774	0.2
148.11217	0.4
152.03000	0.2
152.15273	0.2
153.01859	1.3
154.02150	1.3
160.11201	0.5
161.01237	0.4
161.03577	0.8
165.01840	0.3
166.02225	0.4
170.04134	0.6
175.76895	0.3
176.14357	55.3
184.11197	0.6
186.12802	5.5
190.06313	0.3
198.12752	0.4
200.14359	2.6
201.00728	0.5
201.09123	0.8
201.15128	0.8
202.15913	0.5
204.03841	0.2
205.08624	1.0
206.09044	0.3
214.05966	0.8
214.15877	2.0
219.01836	1.7
228.17546	1.7
229.08572	2.5
230.08887	0.8
230.11778	0.6
237.02817	1.8
242.05351	0.4
242.19063	1.2
244.20621	42.6
247.09662	3.8
248.10016	0.7
258.15140	0.4
259.05582	0.4
260.03616	0.3
278.04434	0.4
285.04486	0.5
288.05859	22.9
288.19589	100.0
289.20007	0.4
303.05414	1.5
305.02151	0.3
307.09772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	2.6
55.01879	3.5
57.03443	5.8
57.32405	1.9
58.99854	3.3
61.02936	3.6
65.80968	2.1
69.03432	8.7
69.07093	2.0
69.88496	10.5
70.06590	7.0
70.99849	2.9
71.80718	2.0
72.08157	5.6
73.02919	3.4
81.03418	5.4
82.99863	8.3
84.04521	3.2
84.08150	7.2
85.02917	18.7
86.09711	4.6
93.03412	2.6
95.01334	3.0
97.01416	4.9
97.02887	8.6
97.24648	2.2
98.20737	2.0
99.04459	3.0
101.00886	76.3
103.02388	1.9
106.70345	2.1
109.02896	5.8
111.04440	6.7
111.41830	2.0
113.00870	12.0
113.02354	3.1
115.02448	17.9
117.04006	2.5
119.01926	100.0
123.04431	10.7
126.98777	2.4
127.02438	6.7
127.03931	26.7
127.05927	2.1
129.00328	2.0
129.03949	10.1
129.10249	2.4
131.01910	27.3
131.96167	3.4
133.03465	26.7
135.04381	16.0
136.06305	2.8
137.02972	14.4
139.03920	27.0
141.01875	2.3
142.03351	2.3
143.01907	31.3
143.05556	2.0
144.99844	5.0
145.01707	2.9
145.03462	35.3
145.04601	2.9
145.05054	2.4
147.01376	3.9
147.05040	8.3
147.81592	1.9
149.03000	2.6
151.03824	2.7
155.01915	11.5
155.05540	3.7
157.03500	5.0
159.01431	3.3
161.02968	68.2
162.43262	1.8
163.04437	6.4
168.99870	15.9
169.03491	5.4
169.04951	3.4
171.01404	8.1
171.05006	9.7
173.02936	17.4
173.06699	2.4
173.97203	4.2
174.99034	2.1
175.00903	2.9
177.02408	2.9
183.05081	7.3
185.02943	4.7
185.97174	3.6
187.00873	26.4
187.04510	29.1
189.02452	8.1
191.04033	7.9
193.05278	2.3
196.61606	2.6
196.99365	6.1
199.00932	6.8
199.04515	25.5
199.06172	3.1
201.02452	7.8
201.06091	4.0
203.04008	4.4
205.01985	14.6
205.05508	5.6
215.00377	28.1
217.01942	11.2
217.05586	5.3
219.03595	8.9
221.05151	6.6
227.04056	6.2
229.02019	10.6
229.05615	9.5
233.01468	6.4
245.04997	2.9
247.02965	27.5
251.02391	2.6
259.02969	4.0
259.05670	2.4
265.04260	4.3
271.03137	3.7
271.06403	3.4
277.03989	4.1
280.55734	2.1
289.03986	6.3
289.07532	61.7
293.03580	3.3
294.01480	3.9
307.05084	5.8
307.08789	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.85010	0.6
55.01865	0.9
65.03934	1.4
68.99795	2.6
69.86356	2.6
81.03420	0.7
85.02904	1.0
91.05489	4.2
93.03401	0.5
103.05478	0.6
107.04953	18.0
108.16914	0.5
109.02896	0.9
115.05538	0.6
119.04932	2.2
119.08524	0.5
121.02879	6.7
123.04454	1.3
127.03915	3.0
131.04924	1.5
131.08533	0.8
135.04424	2.0
137.02382	0.6
139.03903	1.6
141.06946	2.4
145.02850	1.5
145.06450	1.1
147.04422	1.6
147.08057	1.1
149.02350	63.8
150.03033	0.5
151.03958	0.8
153.00591	0.7
153.01823	14.2
159.04405	2.4
159.08046	1.1
163.03894	0.8
167.03430	0.9
169.06491	5.1
173.05997	1.7
177.22185	0.5
181.06488	1.2
185.05870	0.6
187.03902	0.8
187.07498	1.7
197.06004	7.1
201.05377	0.5
215.07036	71.2
225.05505	0.9
243.06538	100.0
253.04961	2.0
258.61844	0.5
271.06024	38.0
289.06927	1.2
289.15457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.00321	1.0
55.01889	0.9
57.77965	0.6
65.03938	6.6
67.05507	1.2
68.99815	2.5
70.77094	1.3
70.77413	1.1
79.05524	1.9
81.03433	0.7
89.03935	1.9
92.50021	0.6
93.03410	15.1
93.70242	0.6
95.04994	3.1
105.03355	1.0
107.04956	4.8
111.00819	1.4
111.04453	23.4
117.03376	3.4
121.02861	2.2
123.04436	53.1
127.03923	20.0
129.07106	0.7
131.04947	3.0
135.04422	92.1
136.93813	0.8
137.02374	3.3
139.03906	100.0
141.06929	0.8
145.02786	0.8
149.02365	6.3
149.05952	2.2
151.03911	24.6
159.04407	2.4
161.05995	1.1
163.03903	22.5
169.06456	0.8
173.05983	2.0
177.05432	1.8
179.03441	3.8
185.05951	1.3
187.03868	1.5
197.06033	1.6
201.05444	1.9
205.04956	1.9
213.05377	1.3
215.07027	1.9
219.06456	0.9
225.05493	1.0
229.04947	1.3
231.06506	3.6
241.04810	1.5
243.01602	0.9
243.06519	3.8
259.06000	6.1
261.05450	0.7
261.07581	7.7
271.06033	8.3
289.03867	1.1
289.07053	17.0
289.12292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.90750	0.7
65.03938	6.3
67.01886	0.9
67.05508	1.9
68.99792	4.7
69.07086	0.8
70.77584	2.0
79.05484	2.0
81.03425	1.0
81.07066	0.8
83.04964	1.0
88.28315	1.0
89.03927	2.6
91.05503	1.2
93.03410	13.2
95.04976	3.4
101.21494	0.7
103.05482	0.8
107.04971	10.6
109.02884	1.2
111.00839	1.3
111.04450	19.3
117.03402	3.4
121.02882	4.5
123.04435	54.7
127.02975	1.5
127.03923	30.9
131.04916	3.3
135.04420	100.0
137.02368	3.3
139.03909	59.2
141.06981	1.2
149.01170	1.7
149.02350	28.8
149.05998	2.3
151.03902	22.4
153.01855	5.4
153.12704	1.2
155.04861	1.3
157.06450	1.1
159.04451	3.5
163.03914	25.9
167.03391	1.3
169.06534	2.2
173.05928	1.9
177.05452	1.5
179.03436	3.6
185.05949	1.3
187.03954	2.6
187.07549	0.9
197.06027	4.5
201.05496	1.3
205.04996	1.2
213.05350	1.1
215.07034	22.3
225.05548	2.2
229.04961	1.8
231.06540	3.8
243.06544	35.5
253.05072	1.1
259.06049	7.0
261.07626	8.4
271.06021	24.7
271.08847	1.8
289.07080	18.0
289.15497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1071
Annotation	Asperflavin
Peak:m/z	Relative Intensity
61.85352	0.3
69.76784	2.0
85.02907	0.6
98.21635	0.3
111.65965	0.4
137.05988	0.4
141.07062	0.4
155.08524	0.9
159.08025	0.5
161.06033	1.4
165.07088	0.5
174.06763	0.8
177.09084	2.9
182.07181	0.6
183.07994	1.9
185.06020	0.7
187.07576	1.7
189.05487	1.2
190.06262	9.2
193.53185	0.3
197.05965	0.9
197.09660	2.5
197.93599	0.3
200.08313	1.4
201.09068	0.5
203.06871	0.4
204.07793	4.0
205.08614	23.3
210.06734	1.9
211.07573	4.6
212.08353	1.7
213.05496	1.0
214.06273	2.2
215.10736	3.2
224.74532	0.4
225.09117	5.9
227.07103	1.0
228.07835	7.7
229.08615	8.5
238.06300	0.4
239.07072	1.3
240.07814	2.4
242.09341	0.5
243.10190	25.2
247.09676	81.6
250.28433	0.4
253.08641	5.2
254.09384	0.4
256.07333	8.6
271.09665	49.7
289.10715	100.0
290.11063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
54.67734	1.8
55.01637	2.5
55.01874	30.2
55.05509	27.9
56.05030	2.0
57.03435	13.9
58.44542	2.0
59.04990	3.5
65.03937	3.1
67.05510	13.6
68.99782	4.7
69.03425	11.0
69.07076	15.8
70.06585	3.5
71.01345	4.3
71.04988	9.1
71.52446	2.9
73.02925	11.9
79.05499	21.5
81.03416	13.1
81.07056	100.0
83.01343	14.8
83.04971	10.7
83.08614	12.0
84.08136	4.0
85.02918	25.5
85.06535	2.7
86.09715	2.3
86.96130	2.3
87.04445	4.3
91.05486	16.8
93.03388	3.4
93.07043	24.6
95.01337	33.0
95.04977	23.3
95.08593	26.7
97.02893	16.3
97.06535	23.1
99.04450	7.4
99.08097	6.2
101.02379	41.8
103.03996	3.0
103.05460	3.9
105.07035	30.3
107.04965	19.4
107.08588	11.8
109.02880	10.4
109.06512	17.0
109.10139	6.9
111.00780	3.4
111.04437	13.6
111.08078	19.6
112.02165	2.9
113.02379	4.0
113.09641	5.0
115.03948	9.5
117.07014	5.1
119.04986	3.8
119.08624	10.1
121.02889	4.7
121.06517	19.2
121.10129	4.9
123.04438	24.8
123.08057	38.4
125.02322	5.5
125.05994	6.4
127.03915	35.6
127.07560	29.7
129.07040	2.7
129.09082	1.9
131.04834	2.2
131.08612	3.1
133.05016	2.1
133.06493	20.3
135.04411	32.2
135.08066	13.1
137.02344	4.2
137.05986	15.6
137.09607	5.2
139.03896	21.1
139.07535	34.9
140.01622	2.9
141.09093	13.6
143.03391	4.7
145.06528	2.7
147.08052	6.4
149.02318	17.4
149.05992	12.1
149.08435	3.7
149.09610	9.0
151.03926	5.5
151.07532	34.0
153.01831	19.1
153.05440	3.5
153.09097	6.2
153.10265	2.1
153.12759	2.1
155.03383	29.6
157.08641	3.8
161.04596	2.3
161.06001	4.5
163.03922	10.5
163.07533	8.6
165.09148	24.5
167.07047	15.6
167.10661	2.7
169.04939	2.1
169.06467	2.2
169.08620	33.9
175.07518	2.6
177.09119	4.2
179.07022	50.0
181.08614	15.1
183.06531	2.4
183.10172	15.4
183.11617	2.7
186.02173	4.8
191.03423	2.8
191.07010	12.0
193.08594	21.4
195.10219	4.3
196.09978	2.0
197.04422	4.1
197.06258	2.4
197.08052	11.9
199.09695	7.5
201.11189	11.1
205.05173	2.2
211.09671	49.7
215.07045	13.7
215.08936	2.8
221.08018	2.9
223.09636	4.1
226.12225	4.0
229.04990	2.5
229.10657	6.6
229.13408	2.5
231.13788	2.8
239.09145	70.8
243.04344	4.2
243.06526	18.3
243.12262	8.3
253.10799	2.4
257.10251	10.0
259.01477	2.5
259.06006	2.6
261.03888	3.4
271.06042	9.9
271.11807	24.8
271.16946	3.4
289.03448	11.4
289.06561	12.5
289.12042	3.2
289.15436	8.8
289.18231	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.18
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01871	7.6
55.05516	35.8
57.03443	4.0
57.07071	1.6
58.28480	0.7
59.04987	1.0
67.05510	16.0
69.03432	2.2
69.07069	6.5
70.06600	1.2
71.04996	0.9
79.05501	21.9
81.07058	17.0
83.04971	2.1
83.08627	11.4
85.06544	1.4
88.07637	2.5
91.05481	10.2
93.07050	7.4
95.08632	3.6
97.06544	0.7
97.10178	20.6
103.05489	1.0
105.07049	5.1
106.08670	2.6
107.04956	0.9
107.08595	15.0
109.06548	1.1
109.10165	4.9
111.08111	1.6
115.05458	12.1
117.07028	61.4
119.08585	10.7
121.06507	1.2
121.10162	1.1
123.08109	1.0
124.55070	0.7
125.09644	12.8
127.03938	3.0
128.06253	3.0
129.07007	5.1
131.08574	6.9
132.72327	0.8
133.10129	1.3
135.08083	6.3
141.06992	1.9
142.07784	2.5
143.08546	11.0
145.06496	64.0
145.10132	4.9
147.08076	2.6
148.01236	0.8
153.09135	3.5
155.08582	2.9
157.10118	9.4
159.08020	3.9
159.11703	1.5
161.09648	1.8
165.06931	0.8
167.08615	0.9
169.10100	5.1
171.11699	1.6
173.09648	2.0
181.10146	1.4
183.11720	3.8
187.11430	0.9
189.11221	7.3
190.06236	1.0
197.13316	1.5
209.13293	1.5
211.14861	2.0
215.14326	2.8
225.16426	7.8
229.15262	1.0
235.14819	3.1
243.17438	5.0
247.09616	3.9
253.15880	6.4
271.09741	2.7
271.16946	100.0
289.06058	3.8
289.10849	7.7
289.17877	8.4
289.20886	1.1
289.29266	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	289.2163
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
50.96760	3.6
55.05520	19.8
57.03441	4.6
57.07073	12.1
61.00061	3.0
67.05499	16.1
69.07077	59.7
71.08631	5.7
72.52924	2.9
79.05484	10.7
81.07057	32.4
83.04983	23.9
83.08614	8.8
83.78170	3.0
85.10143	3.5
91.05491	19.1
93.07050	29.4
95.04971	13.7
95.08609	47.9
97.06528	11.2
101.06027	11.5
105.07030	29.8
107.08617	22.7
109.06507	3.5
109.10161	26.6
111.08131	3.5
115.07638	3.4
117.07030	12.7
119.08595	51.7
121.06464	5.6
121.10161	16.3
123.08027	6.9
123.11704	31.3
127.03915	13.4
129.06998	4.1
131.08565	21.3
133.10123	31.9
135.08081	4.3
135.11700	5.6
137.09607	5.8
139.07671	4.4
142.07793	5.3
143.08563	10.6
145.10112	34.4
147.08060	3.6
147.11707	22.7
149.09657	5.7
149.13257	6.2
156.09383	3.9
157.10114	19.3
158.10939	3.8
159.11734	33.0
161.09659	5.0
161.13274	35.0
164.07425	3.0
165.09135	13.4
167.10718	4.1
171.11693	13.1
171.13901	3.7
173.09573	3.2
173.13266	18.9
175.14847	72.1
176.15623	4.7
177.16370	4.4
183.11758	6.2
185.13290	4.4
187.14835	12.8
189.12746	4.4
189.16379	8.1
197.13289	4.1
201.16426	14.4
213.16417	9.4
215.14281	8.6
215.17972	11.9
217.19569	3.6
227.18025	8.5
233.15399	4.1
243.21112	21.9
245.19125	7.3
247.09885	4.1
253.19434	5.7
271.20609	22.9
289.06104	4.0
289.10764	3.6
289.18378	7.5
289.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62627	0.2
55.05501	0.6
55.60131	0.2
55.65119	0.3
57.03438	0.2
59.04989	0.5
69.07072	3.3
69.38570	0.2
70.96906	0.3
70.97232	0.4
73.06563	2.1
89.03931	0.3
97.06517	0.2
117.03371	0.3
118.06551	13.2
119.04923	0.3
119.07349	0.4
132.08101	4.0
133.08881	2.7
134.09680	1.2
135.04402	0.5
145.02805	0.3
145.10213	0.2
146.09651	4.0
147.04416	0.4
147.10402	0.5
160.11214	0.4
161.11971	0.4
163.03925	2.3
176.14354	71.7
177.14709	0.5
192.17494	0.4
216.13860	0.3
216.17538	0.3
234.14957	0.5
246.14720	0.3
258.80420	0.2
260.16608	0.3
290.21152	100.0
291.21463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.01146	0.1
55.01880	0.9
55.05502	0.5
57.07059	0.2
59.05010	0.4
65.40506	0.1
67.05489	0.2
69.07075	1.9
70.06604	0.2
70.77996	0.2
73.02918	2.6
73.06549	1.4
76.49918	0.1
88.07624	0.4
97.06507	0.2
97.75114	0.1
98.21371	0.1
99.63828	0.1
102.59554	0.2
118.06547	8.6
119.07318	0.4
120.08088	0.2
121.08785	0.2
132.08092	2.9
132.10217	0.5
133.08888	1.4
134.09645	0.8
146.09659	2.7
147.10406	0.5
150.11237	0.6
160.11230	0.3
161.12013	0.2
174.12775	0.2
175.05844	0.2
176.14354	37.4
177.14711	0.3
192.17508	0.2
202.15909	0.7
202.17653	0.2
232.13336	0.8
233.13980	0.2
246.14803	1.2
247.15640	0.4
260.16583	0.5
290.21149	100.0
290.26715	2.8
291.21454	0.9
306.24997	0.2
313.41727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
54.56005	0.3
55.05497	0.3
57.07078	6.1
57.10530	0.3
58.06606	1.3
58.21504	0.3
62.15205	0.2
69.07069	0.5
70.06599	13.8
70.14675	1.1
71.08636	1.7
72.08141	0.5
73.02919	0.5
73.06557	0.3
74.06097	0.3
84.08121	0.3
85.10175	1.0
86.09680	0.5
88.07634	19.7
98.20827	0.3
102.09184	12.3
116.32421	0.2
118.06551	2.2
118.08740	0.3
120.93658	0.2
132.08043	0.4
132.10193	0.7
133.08826	0.3
134.09650	0.3
146.11700	0.8
150.11267	0.7
164.40581	0.2
173.15202	0.2
176.14354	8.9
184.20615	1.1
189.12611	0.2
198.74342	0.2
205.74948	0.3
228.23235	40.6
232.13338	0.5
272.25861	2.9
290.21426	24.1
290.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46898	4.8
61.02900	5.4
66.25689	5.8
69.03414	9.5
69.68766	6.0
70.06600	31.5
70.90520	13.2
71.10747	5.8
84.04511	7.3
85.01431	11.3
85.02926	17.9
101.00880	6.8
103.02440	21.3
113.00889	8.6
116.07092	9.4
119.04983	6.6
121.01688	6.9
121.03488	9.3
123.04419	26.0
127.03867	10.1
129.04057	8.0
131.01907	12.7
138.41170	6.2
138.64459	5.9
139.03906	43.8
157.03465	20.4
165.05588	6.2
173.02936	17.1
201.02469	9.2
229.01938	8.6
273.00879	8.3
291.02057	7.3
291.05374	7.2
291.08459	100.0
291.12930	16.8
298.23145	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	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.3
55.05507	7.2
55.93517	4.7
56.05043	7.1
56.96564	21.0
57.03441	4.7
57.19310	3.3
61.02920	5.0
68.05022	5.2
69.03432	9.8
70.06599	96.2
71.04996	7.0
71.51170	3.9
72.08168	22.2
73.02925	8.0
74.06080	4.9
77.02225	3.4
79.05469	3.5
81.03421	8.7
84.04512	61.6
84.08147	30.7
85.01417	13.8
85.02915	33.3
85.08482	5.6
86.09709	14.1
86.34405	3.4
87.10025	3.9
88.02227	4.0
88.04005	13.5
91.05470	3.8
95.04989	4.3
96.16849	3.4
97.02895	13.1
97.06541	4.4
98.06001	4.4
98.09697	8.3
98.97601	6.9
98.98476	8.0
99.04463	5.1
101.00904	7.6
102.05549	12.2
102.09174	6.7
103.02449	33.4
109.02914	5.6
110.06040	3.5
110.09676	8.7
111.04447	9.9
113.00891	7.0
113.07153	4.4
115.02451	3.7
115.08691	6.9
116.01655	6.5
116.07088	39.6
119.01887	18.6
119.04995	4.5
121.01666	9.4
121.03487	16.0
123.04440	21.1
127.02428	4.0
127.03935	10.1
128.98627	12.4
129.04013	9.0
129.05490	6.4
130.05072	4.5
130.08693	5.1
131.01924	45.6
132.95868	4.3
133.01642	7.3
133.03525	9.6
133.09731	4.7
135.04391	5.1
137.06013	5.3
138.09167	9.9
139.02425	4.3
139.02873	4.0
139.03918	43.1
141.06610	7.1
142.03293	6.2
142.04904	3.9
143.01923	5.0
144.06578	22.9
144.13818	4.2
144.98117	5.0
145.01732	3.9
145.03477	12.3
145.04884	6.1
147.01419	8.8
147.03326	4.2
147.04410	12.8
147.05214	3.8
149.02986	11.5
153.01906	5.5
155.01949	6.0
156.10252	3.8
156.98088	4.2
157.03465	40.7
158.05617	5.3
158.09244	4.4
159.02878	7.1
159.07677	11.9
161.01129	4.9
161.02972	9.1
161.05962	5.2
162.07626	11.7
163.02742	6.8
163.04005	10.9
165.05501	7.3
173.02982	33.0
174.11258	12.2
174.99229	21.3
175.00568	3.9
175.03203	3.5
175.04459	19.2
175.11964	4.3
176.06570	6.7
177.01004	4.3
177.02519	11.6
185.02979	11.1
185.06644	5.5
187.04605	4.4
189.02426	4.4
190.98698	6.5
191.04056	5.3
191.05917	3.5
193.00307	22.7
193.01843	6.3
193.05626	5.1
196.54201	4.0
201.02412	21.5
201.06749	5.0
203.04045	19.0
208.99779	5.7
219.03587	23.0
221.05031	10.2
229.02011	25.0
229.05629	6.1
231.03580	9.4
233.05029	6.4
245.01747	4.2
245.05147	4.1
247.03160	17.2
249.04680	8.0
255.09830	6.8
255.13406	10.3
263.00748	4.3
263.08603	3.9
273.01138	4.2
273.11209	4.0
282.15555	4.9
291.00513	4.1
291.05698	8.7
291.08423	100.0
291.13028	42.5
291.15475	7.6
291.19348	6.8
299.09882	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01868	1.0
55.05499	0.5
59.45255	0.3
60.42216	0.4
65.03927	0.6
67.05520	1.7
68.99790	1.5
69.03418	0.4
69.07056	1.0
70.27983	1.2
74.07759	0.3
77.03921	0.3
83.04974	1.0
85.02898	1.1
91.05480	1.3
93.03394	0.8
95.04982	2.9
97.02878	0.9
98.21456	0.5
99.04464	0.5
105.03384	0.5
107.04980	0.5
111.00808	0.5
111.04449	3.1
115.05461	1.1
119.04947	4.8
123.04429	64.2
127.03924	1.4
128.56122	0.3
131.04897	0.6
133.06488	0.8
135.04373	0.6
137.02351	0.7
137.05978	0.7
139.03902	100.0
140.04185	0.4
143.04919	2.6
147.04407	20.0
151.03918	2.5
153.05437	0.7
159.69978	0.3
161.06004	8.0
163.03912	1.7
165.05482	15.6
169.04980	1.2
177.05501	1.0
179.03389	0.3
179.07033	3.9
181.04959	1.0
189.05531	2.1
207.06551	6.1
249.07582	1.0
268.85385	0.4
273.07605	1.3
291.08646	7.6
291.13531	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01860	0.4
55.05511	1.4
57.03422	0.3
57.07064	0.3
57.75644	0.2
59.04982	0.3
62.45422	0.2
63.02349	0.2
65.03910	0.5
67.05505	1.1
69.03438	2.0
69.07066	1.4
70.07384	0.5
70.41615	0.5
70.41991	0.4
71.04983	0.5
73.06538	0.5
75.62994	0.2
79.05500	1.9
81.03396	0.5
81.07061	1.4
83.04986	4.2
83.08595	0.4
83.89680	0.2
85.02914	1.6
85.06527	0.2
89.03913	6.7
91.05491	1.9
93.07042	1.2
93.60612	0.2
95.04935	0.7
95.08593	1.2
97.02872	0.4
97.06464	0.2
98.97513	0.2
99.04428	0.5
103.05437	0.3
105.07004	0.8
107.04951	2.8
107.08587	1.1
109.02820	0.2
109.06496	0.7
109.10137	0.5
111.04446	3.6
111.08051	0.6
115.05514	0.3
117.03381	10.6
117.07011	0.5
118.06536	2.8
119.04947	1.8
119.06861	1.8
119.08551	0.6
121.06454	0.2
121.10114	0.8
123.03572	0.3
123.04434	4.4
123.08109	1.1
127.03931	1.0
129.05466	1.6
129.06992	0.3
131.04945	0.3
131.08548	0.7
131.82318	0.2
132.08044	0.7
133.06442	0.2
133.08441	0.8
133.10114	0.5
134.09183	0.4
135.04414	20.3
135.08011	1.0
135.11647	0.5
137.02258	0.2
137.09604	0.3
139.03900	4.5
143.08522	0.3
144.20073	0.2
145.02850	13.9
145.03876	0.5
145.10124	0.6
146.09624	0.4
147.04408	10.0
147.10028	0.6
147.11673	0.3
149.05972	0.2
149.09605	0.4
149.13136	0.2
151.07541	2.2
157.06482	0.4
159.11690	0.2
161.05974	0.6
161.13344	0.2
163.03903	100.0
164.04280	0.5
165.05478	0.6
169.69725	0.2
170.36604	0.2
171.11748	0.4
173.05940	0.2
175.07532	0.3
175.11119	0.3
176.14349	9.4
177.05487	0.3
177.14693	16.9
181.04922	0.2
183.08054	0.3
185.05952	0.3
186.05550	0.5
189.12791	0.8
193.05063	0.2
197.11722	0.2
197.13382	0.3
199.07600	0.3
203.07094	0.5
205.04996	0.4
207.06468	0.4
207.13846	1.6
210.09253	0.2
215.07185	0.3
215.14429	0.2
217.04982	2.4
220.02081	0.4
229.02574	0.6
231.06451	0.3
233.04465	0.8
233.15417	0.2
255.17323	0.3
273.18527	1.1
281.91818	0.2
282.11203	0.3
291.08734	2.3
291.21567	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.92819	0.3
55.01877	1.2
58.59772	0.4
65.03924	1.2
66.44934	0.3
67.01866	0.4
67.05519	1.9
68.99792	1.3
70.31611	0.9
83.04991	0.9
91.05467	1.1
93.03403	1.0
94.22170	0.4
95.04977	2.2
100.35689	0.4
104.71219	0.4
105.03412	0.4
107.04946	0.4
111.00822	0.5
111.04440	2.4
115.05453	0.9
119.04958	5.8
123.04436	63.6
127.03948	1.0
133.06464	0.8
135.04391	0.6
137.02357	0.4
137.05986	0.9
139.03911	100.0
143.04926	2.8
147.04413	19.3
151.03891	2.4
153.05463	0.5
161.05994	7.4
163.03896	2.4
165.05492	15.8
169.04993	1.9
177.05475	1.1
179.07054	2.9
181.04916	1.0
189.05522	1.7
203.07039	0.5
207.06551	6.2
216.17894	0.5
234.88052	0.4
249.07619	1.6
273.07547	1.6
291.08649	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	291.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01872	1.2
55.05280	1.2
55.05521	16.8
56.05033	2.5
57.07084	17.4
58.99596	1.6
67.05492	4.0
68.99751	1.2
69.03441	8.9
69.07057	3.8
71.04987	1.6
73.02886	1.2
73.06569	1.0
79.05469	3.5
81.03423	2.4
81.07072	8.3
83.04961	3.3
83.08634	2.1
84.04498	2.6
84.08146	2.0
85.01112	4.5
85.06533	1.5
87.02697	2.1
87.08118	100.0
91.05487	6.0
93.07078	5.6
95.04951	2.0
95.08597	4.4
97.06503	1.6
98.09683	3.2
98.21451	2.7
98.98463	1.1
99.04424	1.5
100.11222	1.1
101.06000	2.0
102.03775	8.6
102.05560	9.9
105.06993	3.1
107.04935	2.1
107.08582	4.2
109.06475	2.7
109.10149	3.8
111.04415	2.7
111.08094	1.4
112.03951	2.7
113.04209	2.4
114.81908	1.0
116.01677	3.9
117.07011	1.2
119.04964	11.9
119.08588	4.7
121.02842	1.8
121.06564	1.2
121.10143	5.2
123.03582	1.5
123.04449	16.5
123.08049	2.6
123.11700	2.2
127.03908	3.2
129.05472	1.4
129.06963	1.2
130.04979	2.1
130.06874	2.2
130.08638	4.2
131.08580	2.5
133.10092	4.1
135.04402	1.2
135.08040	3.3
135.11760	1.3
137.09619	2.4
138.09113	1.2
139.02963	1.8
139.03923	23.1
143.04921	1.2
143.08618	1.2
145.10089	2.9
147.04428	49.4
147.11682	3.0
149.09590	3.3
149.13281	1.3
155.02240	1.2
156.08426	3.5
156.10216	4.0
157.10107	1.8
159.11684	3.1
161.06013	2.2
161.09686	1.3
162.02180	1.5
165.05434	2.7
165.09135	1.0
171.11655	2.6
173.13240	1.6
188.03719	3.2
189.03215	1.7
189.12682	1.4
203.06982	2.0
203.14272	1.5
205.06462	18.4
207.06465	1.4
207.13908	1.1
215.14334	1.5
216.06921	7.5
255.17377	2.3
259.11151	60.7
273.11758	1.4
273.18475	2.7
291.06506	54.6
291.13718	20.4
291.19424	8.9
291.22775	1.6
291.26730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
57.03446	1.5
59.04988	1.2
60.81274	1.2
65.03931	1.4
66.81726	1.3
67.05508	45.6
68.99800	2.0
69.03419	4.3
69.07053	4.2
70.69654	2.9
70.69989	2.3
71.04993	4.9
79.05493	8.2
81.07060	100.0
83.04983	2.3
83.08621	2.8
84.41344	1.2
85.06554	9.3
87.00828	20.2
91.05481	8.2
93.07046	4.9
95.04961	2.8
95.08604	4.4
97.10149	2.6
100.11214	1.8
105.01878	4.0
105.07047	7.2
107.08595	5.9
109.06517	5.3
109.10186	6.6
114.25950	1.4
119.04943	3.0
121.10161	1.9
123.04464	7.6
123.08047	1.5
123.11714	64.8
133.10136	17.8
139.03899	12.2
141.12733	27.1
147.04417	22.5
151.11191	38.9
159.13800	3.8
161.05997	1.5
165.05400	1.4
169.12280	10.2
187.13275	14.1
187.95448	1.2
207.13818	1.4
215.56662	1.4
227.12775	3.0
249.10306	1.4
255.12267	3.0
273.13364	2.2
291.06354	13.9
292.06650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01867	0.9
55.05514	10.2
57.03444	1.4
57.07074	1.7
59.04990	1.1
65.03925	0.9
67.05509	45.9
68.99799	2.9
69.03428	4.5
69.07075	4.5
70.06604	0.9
70.77174	1.2
71.05000	5.6
73.02935	0.9
79.05496	6.6
81.03424	1.1
81.07061	100.0
83.04980	2.6
83.08626	2.0
84.08167	1.4
84.31857	0.6
85.06547	7.0
87.00834	20.2
91.05487	9.2
91.06029	1.1
93.07057	5.7
95.05000	3.4
95.05486	0.6
95.08620	4.0
97.06546	0.9
97.10180	2.2
98.98522	0.7
99.04475	0.7
101.06015	0.8
105.01863	4.4
105.07041	7.8
107.08597	6.4
109.06540	6.4
109.10165	7.7
111.08088	1.3
115.05591	0.6
119.04935	5.9
119.08615	0.7
119.70237	0.7
121.10185	1.6
123.04457	7.9
123.11717	67.1
125.09659	0.8
127.03905	2.1
128.60829	0.6
131.08577	1.4
133.10141	17.5
133.11095	1.0
135.11716	0.8
139.03918	12.4
139.98856	0.5
141.12749	27.5
142.34860	0.6
146.31087	0.5
147.04419	23.7
147.11728	0.8
148.04730	0.7
151.11195	39.8
159.13832	4.1
161.06010	0.9
165.05519	2.2
165.09132	1.9
169.12241	8.5
169.13475	0.8
176.14455	0.9
177.05420	0.7
187.13300	12.6
202.15981	0.8
207.06711	0.8
227.10927	0.7
227.12706	3.8
245.16602	0.9
255.12289	4.1
273.13303	2.4
291.08752	1.8
291.14072	0.7
291.16879	3.2
291.22717	0.7
292.15445	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	291.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54584	0.4
55.01885	0.9
55.05509	1.2
56.05043	0.5
58.99584	1.3
60.04516	0.7
60.08160	0.6
60.53023	0.5
61.01155	14.2
61.01456	0.9
65.03957	0.6
67.05514	1.7
67.99886	0.5
69.03442	1.0
69.07085	0.7
70.06599	1.6
70.86639	0.8
72.08167	1.0
77.03959	0.4
79.05494	0.6
80.07951	0.4
81.07089	0.7
83.04988	1.0
84.04511	1.4
84.08151	84.1
85.02917	0.7
85.08455	0.5
86.00668	0.8
86.09718	3.6
86.99076	1.1
88.02237	0.6
91.05467	1.6
93.03407	0.7
93.07081	0.5
95.04992	0.9
95.08585	0.6
97.02894	1.0
105.07032	0.7
110.07139	0.7
111.04465	1.8
116.01703	3.4
117.07017	0.6
119.04975	3.0
123.04443	25.3
127.03944	0.9
129.10345	0.4
130.05009	1.3
132.08440	100.0
133.06511	0.5
137.02356	0.5
137.05980	0.5
139.03915	40.5
142.03224	2.7
142.04991	0.6
143.04916	0.9
144.01146	0.6
147.04422	11.7
151.03937	1.3
151.07484	0.5
153.05542	0.4
157.07614	1.4
161.05998	2.8
162.02211	1.6
163.03969	0.7
165.05510	5.7
169.04982	0.9
174.05568	0.6
177.05446	0.5
179.07048	1.2
189.05516	0.9
198.11325	1.0
199.09116	0.5
199.12363	2.2
203.03447	0.9
203.08192	0.5
207.06616	2.8
208.43660	0.4
215.13985	1.1
228.10065	0.8
231.02907	1.3
245.05898	2.6
245.09734	0.6
245.12851	1.4
246.11441	1.0
255.11208	0.5
273.05350	0.6
273.08035	0.5
273.09280	0.7
273.12366	9.3
291.06073	4.1
291.08804	2.0
291.13412	11.4
291.17355	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03948	0.8
54.24657	0.3
55.01878	1.6
55.05280	0.4
55.05519	6.3
56.84895	0.3
57.07076	0.5
57.54925	0.3
59.04975	0.4
65.03931	0.5
65.33401	0.3
65.91461	0.3
67.05511	4.1
67.37206	0.3
69.03424	1.2
69.07076	3.8
71.04983	0.5
71.52594	0.3
71.52995	0.4
79.05496	5.2
81.03432	0.7
81.07064	5.7
83.04975	0.9
83.08633	3.6
83.24456	0.3
85.06502	0.3
91.05489	5.1
93.07053	5.5
95.04968	2.4
95.08613	2.4
96.64550	0.4
97.06532	0.7
97.10166	3.0
98.98450	0.5
105.04387	0.4
105.07044	5.2
107.04977	2.0
107.08591	3.3
109.06511	0.9
109.10173	1.1
109.72967	0.3
111.08092	0.5
115.05451	0.5
116.06227	0.4
117.07070	1.6
119.04948	1.1
119.08593	4.5
121.06493	1.6
121.10155	1.8
123.04446	0.4
123.08073	1.3
123.11670	0.6
125.09636	1.3
129.07008	1.3
130.07776	0.8
131.08583	2.7
133.06519	2.6
133.10130	1.1
134.07292	1.1
135.08041	0.7
135.11729	0.8
137.09567	0.5
143.08534	1.0
145.10132	1.5
147.04448	1.0
147.08060	2.5
147.11702	0.5
149.09622	1.2
149.13361	0.4
153.09157	0.3
157.10136	1.0
159.11649	0.4
161.09647	1.2
162.10411	1.1
163.11171	0.7
165.09120	0.4
169.10175	0.3
171.11687	0.5
175.11188	0.5
189.12729	0.4
222.14165	0.3
223.13303	1.0
249.14850	1.8
255.17476	0.4
262.15680	0.4
268.23257	0.3
273.18497	3.2
291.19562	100.0
292.19876	0.3
302.97815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03938	0.9
55.01876	1.4
55.05521	4.6
57.07078	2.3
59.05006	2.8
67.05515	4.6
69.03422	2.1
69.07067	2.9
69.44481	4.2
69.45083	0.7
70.06591	0.8
71.04999	3.9
79.05501	5.1
81.07070	5.6
83.04998	2.7
83.08627	4.4
85.02910	1.8
85.06535	3.1
91.05492	4.9
93.07053	10.7
95.04968	4.7
95.08617	12.8
97.06545	4.9
105.07043	10.4
107.04970	4.9
107.08611	8.4
109.06540	8.0
109.10172	4.6
111.04443	1.0
111.08096	27.1
113.06059	1.2
113.09642	1.2
117.07015	2.5
119.08588	10.0
121.06523	2.3
121.10158	6.2
122.07318	1.7
123.04449	0.9
123.08083	31.5
123.11686	1.4
125.09647	1.6
129.06999	0.9
130.07845	0.6
131.08577	7.7
133.06519	3.7
133.10130	7.8
135.08066	7.4
135.11694	3.5
137.09651	3.0
139.03902	1.8
139.07565	0.9
142.07809	1.0
143.08578	4.2
143.19525	0.6
144.09364	1.7
145.10132	17.3
147.04428	1.3
147.08041	4.2
147.11707	7.3
149.09660	6.2
149.13197	0.6
151.07559	100.0
153.09137	1.1
155.10687	2.6
156.09369	1.8
157.10130	5.1
158.11028	0.9
159.08043	1.4
159.11693	5.9
161.09613	6.0
161.13261	2.6
163.11185	4.4
167.10674	0.8
169.10210	1.0
171.11667	4.5
173.09651	2.1
173.13306	7.4
174.10402	2.1
175.11247	5.0
177.09132	2.8
177.12778	1.9
179.10683	4.9
181.12260	1.9
182.10901	1.1
185.09398	0.7
185.13269	1.6
187.11241	4.7
187.14758	1.2
189.12764	27.8
191.10562	0.9
191.14294	6.2
192.11427	4.0
197.11748	18.1
197.13326	2.6
203.14365	2.4
205.12186	0.9
207.13815	65.8
213.12923	0.9
213.16403	2.7
215.14304	6.8
217.12320	3.1
228.23276	0.7
229.15862	1.2
229.23621	3.1
231.17523	4.1
233.15390	21.6
235.13370	1.6
243.39174	0.7
247.16678	0.6
249.18605	1.0
255.17517	2.4
273.18497	10.4
291.19565	61.9
291.27075	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03947	1.7
55.01863	1.7
55.05511	9.0
57.07065	3.6
59.05000	2.5
67.05494	3.4
69.03423	2.0
69.07081	1.5
70.57334	2.9
71.04977	3.3
71.72643	0.9
79.05497	8.6
81.07062	6.6
83.04968	2.0
83.08624	7.9
85.06533	2.7
91.05482	5.2
93.07057	9.4
95.04988	5.0
95.08616	13.9
97.06499	5.2
105.07031	7.7
107.04964	16.7
107.08605	6.9
108.05710	1.3
109.06525	6.8
109.10184	2.4
109.31854	1.0
111.04424	1.3
111.08092	41.8
113.09621	2.9
117.06985	1.6
119.08598	9.6
121.06533	2.0
121.10151	5.1
122.07293	2.5
123.07203	2.2
123.08078	33.4
125.09631	2.6
131.08607	5.5
133.06468	3.6
133.10143	9.4
135.08054	5.1
135.11679	2.5
137.09572	2.4
143.08578	2.3
145.10149	4.1
146.54129	1.0
147.04407	1.4
147.08020	1.3
147.11699	4.8
149.09642	6.4
149.13188	1.0
151.07556	100.0
155.08487	1.2
155.10652	4.6
156.09349	2.0
157.10138	3.7
158.07071	1.0
159.08064	2.9
161.09579	2.3
163.11200	3.4
165.08983	1.0
171.11682	3.1
173.09656	2.0
173.13304	7.3
174.10408	2.3
175.11183	3.9
177.09163	3.1
179.10683	4.4
181.12227	1.8
187.14745	1.1
189.12755	26.0
191.14320	18.6
192.11487	2.5
197.11758	17.9
197.13327	2.4
206.08879	1.8
207.09152	2.7
207.13815	67.0
211.13242	2.1
213.16400	2.4
215.14316	5.2
217.12225	3.4
230.08459	1.5
231.09167	1.6
231.17476	2.4
233.15390	51.5
235.13199	1.8
245.10765	3.6
247.09641	1.6
248.10045	1.4
249.10214	12.1
249.18520	2.9
255.17496	2.2
273.10248	9.1
273.18500	6.5
291.11362	20.6
291.19559	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03966	1.0
55.01905	2.0
55.05514	4.3
56.69635	0.4
56.88301	0.5
57.03463	1.1
57.07103	1.1
59.05030	1.1
60.42824	0.4
65.03957	0.8
67.05505	4.5
68.99802	0.5
69.03431	10.1
69.05322	0.6
69.07074	8.7
69.55155	1.2
69.55568	1.9
71.05026	1.9
79.05503	9.4
79.05897	0.6
81.03440	1.3
81.07056	7.3
83.04977	2.6
83.08618	2.5
84.04574	0.7
85.02921	1.0
85.06553	2.6
90.07381	0.5
91.05484	8.5
93.07046	22.7
95.04984	4.1
95.08615	11.5
97.02889	0.6
97.06534	2.9
97.10193	1.2
98.97583	0.8
99.04482	1.3
105.03451	1.6
105.07033	12.4
105.07681	0.8
107.04951	4.4
107.08601	10.0
108.08065	0.5
109.06526	15.1
109.10170	2.9
111.04450	1.0
111.08097	2.4
111.11751	2.2
113.09682	1.3
115.05448	0.9
115.50713	0.5
117.07059	2.3
119.04956	7.7
119.08588	5.2
121.06538	1.5
121.10149	33.3
123.04434	8.2
123.08066	6.4
123.11742	1.7
125.06013	1.0
125.09641	3.6
127.03923	2.7
128.06186	0.6
129.07024	1.6
130.07716	0.6
131.08556	3.9
133.06516	2.1
133.07542	1.1
133.10165	3.6
135.08063	6.8
135.11682	1.0
137.06017	0.7
137.09613	2.2
139.01563	0.5
139.03906	12.5
139.11179	2.5
141.09137	1.4
143.07208	0.6
143.08577	1.8
145.10139	3.7
146.07404	0.5
147.04417	33.8
147.08081	1.2
147.11726	2.6
149.09631	12.7
149.13297	1.0
151.07552	6.1
151.11153	0.5
155.08516	0.8
155.10695	0.9
156.09367	1.0
157.10167	4.6
158.67249	0.6
159.08125	1.4
159.11691	1.5
161.05995	1.3
161.09619	1.9
161.13303	0.8
163.03932	1.5
163.11171	1.4
165.05496	1.4
165.09045	0.7
167.10684	100.0
169.10133	1.6
171.11667	2.0
173.09607	1.7
173.13246	4.7
175.07520	0.7
175.11195	3.4
177.05502	0.8
177.09201	0.6
179.10637	0.8
181.10117	0.7
182.11009	1.2
185.09578	1.2
185.13257	0.6
187.11238	0.9
187.14836	1.2
189.12711	3.4
191.10667	3.3
191.14308	4.7
197.11664	0.5
197.13277	2.6
199.11124	0.9
203.10634	1.7
207.06461	0.7
207.11920	0.7
207.13808	3.0
211.14749	0.7
213.12839	0.5
213.16333	1.5
215.14343	3.6
217.12204	1.8
220.01942	1.0
231.10152	1.2
233.15378	12.2
237.16280	0.7
249.18417	0.7
255.17496	3.2
263.12714	1.0
273.18509	12.2
291.08502	4.6
291.11926	0.9
291.16010	1.0
291.19376	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	7.1
55.01860	9.4
55.05513	36.6
55.82962	2.0
57.07075	2.9
59.04965	2.7
65.03902	3.9
67.05512	41.8
69.03419	7.3
69.07076	23.9
70.30452	3.2
70.49969	6.1
71.04977	10.1
77.87680	2.4
79.05069	4.4
79.05496	56.6
81.03442	3.0
81.07059	62.4
83.04983	5.8
83.08614	18.5
85.06564	4.8
91.05485	62.6
93.07051	66.5
95.04967	10.2
95.08617	40.3
97.06543	6.2
97.10168	8.7
105.07043	60.6
107.04948	5.8
107.08605	29.7
109.06525	14.4
109.10178	6.8
111.08086	39.0
115.05462	4.6
117.07037	30.7
118.47686	2.5
119.04971	4.2
119.08580	34.9
120.93522	2.4
121.06503	9.5
121.10147	19.5
123.04430	4.7
123.08092	36.9
125.09698	2.4
128.06239	7.9
129.07027	20.1
130.07784	6.8
131.08569	65.2
133.06479	9.5
133.10146	17.7
135.08089	9.9
135.11693	12.7
137.09641	3.8
139.03888	8.7
139.11206	5.8
142.07791	3.9
143.08563	48.8
144.09402	2.5
145.10135	64.3
147.04419	12.0
147.08089	12.0
147.11653	8.4
149.09616	7.7
149.13297	4.4
151.07552	100.0
157.10175	15.6
159.08005	4.3
159.11707	15.4
161.09618	7.7
161.13246	3.8
163.11188	5.8
167.10689	2.9
169.10117	7.7
171.11685	15.4
173.09621	3.3
173.13213	2.8
175.11203	5.8
179.10638	6.5
181.10107	3.8
183.11679	4.7
185.13252	3.9
187.11189	3.3
189.12749	22.1
195.11646	8.9
197.11693	13.2
207.13812	59.6
215.14410	3.0
217.12271	5.9
224.35135	2.5
227.17978	3.7
233.15422	11.2
237.16414	9.3
245.18956	5.0
255.17535	11.6
263.20071	5.0
272.82471	2.4
273.10190	2.4
273.18509	38.7
291.11353	4.0
291.19568	77.5
304.23816	2.4
305.45697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03943	0.9
53.44569	0.5
55.01873	1.7
55.05516	6.6
57.03434	1.7
57.07077	6.4
59.05000	1.3
61.63160	0.5
65.03936	1.0
67.05509	7.9
67.92442	0.5
69.03431	17.7
69.07076	2.6
70.06566	0.9
70.64664	1.7
71.04987	2.4
79.05508	4.9
81.03428	1.6
81.07061	7.3
83.04993	3.6
83.08614	1.2
84.04526	0.7
84.08173	0.6
85.01110	1.2
85.02892	0.7
85.06546	6.5
87.08112	23.3
91.05486	10.7
91.56099	0.6
93.03389	0.9
93.07048	6.6
95.04959	3.2
95.08612	20.3
97.02912	0.8
97.06524	1.4
97.10145	0.7
98.09734	0.5
98.97560	0.7
99.04441	1.1
99.08112	0.9
101.06024	0.8
102.03774	2.3
102.05537	2.7
105.07046	6.5
107.04980	3.2
107.08610	4.7
109.02855	1.0
109.06557	2.7
109.10172	3.7
111.04455	0.8
111.08073	3.4
113.09634	4.0
115.07585	0.5
116.01694	1.0
117.07018	1.5
119.04950	21.6
119.08588	6.4
121.06472	1.5
121.10139	4.0
122.07288	0.6
123.04429	14.6
123.08062	9.0
123.11707	2.0
125.09603	1.6
127.03928	7.0
127.07587	0.6
128.06262	0.7
129.06979	1.2
130.04973	0.8
130.08687	1.3
131.08559	3.2
133.06557	1.1
133.10141	4.9
135.08064	3.7
135.11710	2.1
137.05962	0.8
137.09599	3.3
139.03906	21.6
141.09099	3.5
143.08530	1.5
145.10104	3.3
147.04417	100.0
147.08037	1.5
147.11737	2.4
148.04747	1.2
149.09637	5.3
149.13260	1.6
151.07544	5.9
151.11198	1.5
156.10304	0.7
157.06558	0.8
157.10150	2.7
159.08095	1.6
159.11714	2.0
160.08931	0.7
161.06013	1.7
161.09641	3.8
161.13271	1.9
162.15976	0.6
163.03961	0.7
163.11188	1.8
165.05527	2.7
165.09132	2.2
171.11717	2.8
173.09659	1.3
173.13295	2.4
175.11253	1.5
175.14888	1.0
177.09122	2.5
177.12820	0.8
179.07104	0.8
179.10669	1.5
185.13332	1.0
187.07600	0.6
187.14833	0.8
188.03825	0.8
189.12791	3.2
191.10722	0.8
191.14343	2.5
193.12291	1.0
197.11708	0.9
199.11237	1.1
201.12813	0.7
203.10765	0.6
203.14368	2.1
205.06450	4.0
207.06532	1.5
207.13747	4.5
213.12897	0.5
213.16454	1.0
215.14314	2.5
216.06863	1.6
217.12209	3.4
227.18025	1.3
231.17444	1.6
233.15363	4.8
235.13448	0.7
245.19098	0.7
255.17456	3.1
259.11136	13.8
261.18564	0.5
273.12335	0.6
273.18536	7.8
291.08627	9.7
291.13687	3.5
291.19559	20.6
291.22903	1.6
291.26443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.39018	1.3
53.03938	4.8
55.01865	2.0
55.05272	1.7
55.05517	20.6
57.07066	4.3
59.05005	2.2
61.22334	1.3
62.57737	1.2
67.05513	37.1
69.07074	16.3
70.69291	4.2
73.06563	1.8
79.05502	69.1
81.07068	40.4
83.04964	2.8
83.08615	8.0
85.06536	2.7
91.05489	27.5
93.07056	100.0
95.04974	4.6
95.08624	27.5
97.06525	3.4
97.10168	4.3
97.45563	1.1
104.45662	1.2
105.04516	2.8
105.07053	16.2
107.08611	54.0
109.06503	3.3
109.09544	1.6
109.10184	13.3
111.04493	1.6
111.08112	1.7
115.07622	1.2
117.07019	6.2
119.06094	1.4
119.07944	1.3
119.08607	15.6
120.09367	1.2
121.10160	45.8
123.04439	1.4
123.08052	2.6
123.11703	3.9
125.09604	2.2
129.07001	3.9
131.08611	7.3
133.10152	12.4
135.08047	3.2
135.11703	47.0
137.09654	2.3
139.03894	2.4
143.08539	4.1
145.10103	6.4
147.04388	1.5
147.11713	9.4
149.09631	3.6
149.12195	2.0
149.13286	24.6
151.11194	2.1
157.10144	3.0
159.11720	5.6
161.13350	7.0
163.11221	3.1
163.14868	10.0
167.08519	1.5
171.11703	5.3
173.13287	3.6
175.14842	4.7
177.12737	3.0
183.11693	4.2
185.13278	3.8
189.12724	1.9
195.13889	2.0
197.13387	1.5
199.14812	2.8
201.12695	1.8
203.14157	1.5
206.31523	1.2
207.13809	2.5
209.15439	2.0
213.16489	1.6
215.18088	1.6
217.19539	2.0
218.54327	1.3
221.13361	1.6
221.15379	1.7
231.17438	1.8
241.19522	4.7
248.08269	1.9
249.18498	2.0
259.20660	8.5
261.19397	1.6
291.10211	5.0
291.19827	5.5
291.23203	64.3
291.26605	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	292.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	2.9
55.05503	2.8
61.02931	22.2
64.54100	0.8
67.05499	3.9
69.03426	2.2
69.07090	0.9
71.05024	0.9
71.16959	1.6
73.02924	2.1
77.55133	0.8
79.05478	2.0
81.03415	2.6
81.07051	8.6
83.01343	2.0
83.08620	1.1
85.02908	1.9
86.73807	1.0
91.03956	14.6
91.05459	5.0
93.07039	6.2
95.04957	3.1
95.08593	1.5
97.06500	1.4
105.07022	2.1
107.04977	1.0
107.08574	1.1
109.02902	1.0
109.06537	5.8
111.04466	1.5
111.08086	59.0
119.03410	1.6
119.08575	1.8
121.06504	2.2
123.04397	2.9
123.08096	6.6
131.08556	1.2
137.05989	9.1
139.07541	4.0
147.08011	2.2
149.09590	1.3
151.07587	5.1
153.05399	1.4
155.07019	2.7
165.09079	5.7
167.07054	3.0
167.10780	1.0
169.08598	2.6
193.08638	2.8
195.10155	4.1
197.08154	1.0
211.09659	41.3
213.07655	1.8
229.10698	20.4
230.17502	1.5
239.09154	17.8
257.10202	100.0
274.13022	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	292.1545
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01886	0.7
61.49274	0.1
67.05489	0.2
69.24769	0.2
69.25169	1.0
71.01357	0.3
71.04992	0.1
74.20486	0.1
78.94098	0.1
80.74137	0.1
81.07072	0.3
85.02891	0.3
87.02705	0.1
91.05485	0.3
93.07069	0.1
99.00827	0.5
106.06539	0.1
107.08639	0.2
111.08076	0.4
114.96352	0.1
117.05776	0.4
118.05712	0.3
118.06556	5.1
119.07370	0.2
119.08591	0.2
120.08157	0.2
123.04449	0.4
124.04766	0.3
127.52526	0.1
129.07013	0.1
130.06529	0.2
131.07330	0.4
131.08545	0.2
132.08109	2.2
133.08904	0.6
134.09654	0.4
139.04015	0.2
140.04152	0.2
144.08098	2.0
146.06036	0.4
146.09657	1.7
147.10484	0.2
148.04744	0.3
158.09695	0.7
159.10452	0.3
160.11247	0.8
172.11250	0.5
175.06377	0.1
175.08730	0.2
176.14366	10.9
186.12752	0.2
188.07080	2.1
190.06900	0.3
190.08656	7.0
202.08679	0.9
202.15930	10.2
203.09445	0.2
204.10231	3.4
205.11021	0.4
206.94548	0.1
211.09613	0.3
216.10231	0.5
218.11807	2.5
219.12297	0.2
230.15445	0.4
232.13303	0.3
233.14050	0.4
234.07625	4.2
244.09660	0.2
246.14922	11.1
248.06589	0.2
248.09224	3.4
248.13921	0.3
248.16493	5.5
249.10004	0.6
257.10272	0.6
262.10730	2.3
274.14447	2.3
276.12320	0.2
292.15460	100.0
293.15784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86488	1.0
62.03089	1.0
69.74010	6.3
98.21494	1.9
100.13320	1.0
114.00417	1.0
117.48479	0.9
277.59100	1.0
293.06342	100.0
310.12875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
55.05534	0.3
55.81424	0.3
61.50779	0.3
65.03953	0.5
65.90786	0.3
67.05492	0.4
70.91384	0.5
70.91713	0.5
72.42033	0.3
81.07058	0.4
83.04978	1.2
85.02888	0.4
91.05486	6.0
95.08624	0.4
107.04974	2.4
109.10178	0.3
111.04453	2.1
119.04952	20.3
130.80719	0.3
131.04939	1.1
143.29262	0.3
145.06480	0.4
147.04420	100.0
158.99689	0.4
169.05008	0.4
169.06416	0.4
173.71927	0.3
187.07585	0.4
188.94370	0.3
195.08246	0.3
201.05492	2.9
217.04968	0.8
251.07085	0.5
275.09137	7.2
275.11996	0.6
277.74017	0.3
292.27411	0.6
293.07928	2.0
293.11075	0.4
293.14603	0.4
293.27774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.46517	0.3
55.01881	1.4
55.05519	3.4
57.03426	0.3
57.07070	0.5
65.03939	0.6
67.05508	5.7
69.03426	1.1
69.07079	2.9
69.14677	0.3
69.38342	1.1
69.38776	1.2
70.06579	0.5
71.05002	0.7
79.05069	0.5
79.05494	5.6
81.03410	1.1
81.07066	9.6
83.04983	2.6
83.08624	2.0
84.04454	0.3
85.02918	0.5
86.09705	0.4
91.05486	9.4
93.07054	4.3
95.04991	2.0
95.08612	4.9
96.66493	0.2
97.06535	2.2
97.10161	1.2
98.20721	0.3
98.97575	0.7
105.07039	5.0
107.04975	4.2
107.08595	4.8
109.06516	2.6
109.10165	3.1
110.16819	0.3
111.04459	2.8
111.08085	0.6
117.07019	1.3
119.04951	19.8
119.08583	3.6
121.06533	0.8
121.10142	2.8
123.04359	0.3
123.08089	1.3
123.11712	1.0
125.09647	1.0
129.05507	0.3
129.07048	0.4
131.04889	0.7
131.08600	1.9
133.06462	0.3
133.10126	3.3
135.08047	1.1
135.11693	1.7
137.09633	1.1
141.06961	0.4
143.08553	0.4
145.06519	0.4
145.10109	2.1
147.04417	100.0
147.11676	2.7
148.04794	0.5
149.09612	2.2
149.13293	1.0
151.11205	1.1
155.08537	0.4
157.10092	0.5
159.08131	0.3
159.11726	1.7
161.13263	0.9
163.11185	1.3
165.09126	0.9
165.12813	0.3
169.10141	0.3
171.11676	0.6
173.06075	0.4
173.13257	1.2
175.11227	0.6
177.12819	0.7
177.14671	0.3
183.11772	0.4
187.07614	0.5
187.11252	0.4
189.11206	0.5
189.12776	0.4
191.14294	0.5
197.13272	0.6
201.05460	2.8
201.12753	0.4
217.05035	1.0
229.19504	0.6
232.23003	0.3
233.15309	0.9
239.18025	1.0
247.20618	1.0
251.06979	0.5
257.08237	0.3
257.19107	1.9
261.94009	0.3
275.06113	0.4
275.09134	7.5
275.20059	14.5
278.05576	0.3
292.27710	0.4
293.07968	4.3
293.21127	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	3.3
55.05518	22.2
57.03450	1.7
57.07074	4.6
59.05005	3.8
62.20105	1.2
65.03947	1.4
66.55759	1.1
67.05178	2.0
67.05516	23.6
69.03442	12.9
69.07077	18.4
71.05000	7.1
71.52879	2.0
79.05507	15.4
81.03446	1.7
81.07070	40.6
83.04994	14.4
83.08634	7.8
85.06548	9.0
91.05506	13.3
93.07059	27.4
95.04987	11.7
95.08622	32.7
97.06548	9.5
97.10172	9.4
99.04466	1.2
101.06022	1.2
105.07049	14.2
107.04962	3.4
107.08609	28.0
109.06553	9.4
109.10172	21.3
109.10848	1.9
111.08091	9.1
111.11681	2.0
113.06020	3.1
113.09705	1.9
117.07039	3.3
119.04980	5.0
119.08593	16.4
120.05349	1.6
121.02843	1.1
121.05798	1.1
121.06543	8.1
121.10164	35.1
123.04448	17.6
123.08080	5.2
123.11715	10.9
125.06025	3.7
125.09639	21.9
125.10456	1.9
127.07588	4.3
131.08566	7.9
133.10156	15.3
135.08066	10.0
135.11726	13.2
137.06035	1.9
137.09647	5.1
137.13234	6.3
139.07620	1.7
139.11211	8.3
142.07832	1.1
143.08618	1.7
145.06471	1.9
145.10150	12.9
147.04430	14.5
147.08043	2.6
147.11693	8.0
148.03818	1.2
148.04782	6.9
149.04996	5.5
149.06062	1.6
149.09636	11.5
149.13286	5.6
151.11217	4.7
151.14799	1.4
153.09149	9.3
157.10161	1.6
158.10892	1.5
159.08110	1.2
159.11725	9.2
161.09683	2.6
161.13272	3.1
163.11212	12.8
163.14850	6.2
165.09145	2.5
165.12805	2.9
167.10744	2.1
169.64119	1.1
171.11757	2.1
173.09738	1.9
173.13266	13.8
175.11320	2.1
175.14854	4.0
177.12779	3.7
179.10634	7.5
179.14417	1.4
181.12242	6.4
183.11661	2.2
185.13316	2.2
187.11226	2.9
187.14825	9.7
189.12881	2.0
191.14330	8.5
193.12236	2.2
199.14841	2.4
201.12814	4.1
205.12329	2.1
205.15901	2.3
209.15408	3.5
215.14375	2.4
215.18028	3.7
217.15916	2.0
219.13855	4.5
222.17212	1.1
222.64998	1.2
229.19551	4.6
233.15414	2.7
237.14853	1.5
239.18073	2.4
247.20667	3.0
257.18979	8.7
275.20105	62.8
293.08392	5.9
293.21179	100.0
293.24689	6.6
294.21362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03891	1.2
53.04112	0.6
55.01795	2.8
55.05428	8.8
55.05722	1.6
57.03369	1.1
57.06999	1.7
59.04939	0.7
64.06136	0.6
65.03885	0.8
67.05415	20.4
67.05813	2.5
69.03349	1.4
69.06978	19.0
69.07397	2.1
71.04919	1.4
71.17310	1.2
79.05398	13.1
81.03381	1.0
81.06963	25.2
81.07487	2.1
83.04887	4.6
83.08608	3.9
85.06467	1.2
91.05385	14.5
93.07046	18.9
93.07570	1.0
95.04870	5.2
95.08609	15.6
97.06532	3.4
97.10073	1.9
99.80640	0.5
105.07034	19.6
105.07689	1.2
107.04958	5.9
107.08592	12.5
109.06531	8.9
109.10167	7.8
109.71761	0.6
110.58037	0.6
111.08015	1.1
117.07013	6.4
119.08588	11.2
121.06516	7.8
121.10146	7.0
123.08055	3.7
123.11598	2.3
125.09524	1.6
129.06903	2.1
131.08566	12.1
133.06407	2.1
133.07390	0.6
133.10135	13.6
135.08070	3.6
135.11713	3.8
137.09514	2.6
141.06943	0.7
143.08463	2.6
145.06389	1.4
145.10127	8.2
147.07961	1.9
147.11688	9.6
149.09610	4.1
149.13249	2.9
151.10135	0.6
151.11186	5.9
155.08492	1.5
157.10045	2.7
159.08006	1.7
159.11693	4.8
161.09534	2.3
161.13264	2.8
163.11172	3.4
169.10031	1.0
171.11592	2.0
173.09541	2.1
173.13329	4.2
175.11082	2.3
175.14757	0.8
177.12645	1.8
179.14236	0.8
183.11627	2.2
187.11140	1.9
187.14734	0.8
189.12730	1.1
191.14207	2.7
197.13182	1.6
201.12796	2.9
205.15804	0.7
205.19388	1.2
207.13676	1.8
215.14188	0.9
215.17854	1.4
219.13765	5.0
229.19487	2.7
231.17435	1.1
233.19017	0.8
237.14760	0.8
239.17917	3.4
247.20500	2.8
257.13708	0.5
257.19019	15.1
257.21603	1.3
275.20065	100.0
291.04605	0.6
293.08136	1.1
293.21127	29.4
295.88110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	5.4
55.01872	10.6
55.05518	28.7
57.03436	3.7
57.07076	2.5
65.03939	2.9
67.05515	52.2
69.03440	4.3
69.07079	23.8
69.86044	3.3
69.86457	4.7
71.04981	5.8
79.05499	48.7
80.37387	1.3
81.03424	7.6
81.07065	92.0
83.04997	7.5
83.08621	13.6
85.06542	3.5
91.05495	32.6
93.07050	37.6
95.04981	15.8
95.08620	37.1
97.06535	14.0
97.10184	5.4
98.21467	3.0
105.07034	47.6
107.05001	10.8
107.08604	48.0
109.06535	27.8
109.10166	23.7
111.08092	6.0
115.05437	2.0
117.07043	11.1
119.06136	2.0
119.08594	38.9
121.06512	6.1
121.10169	18.7
123.04453	3.5
123.08082	11.8
123.11736	8.4
123.12532	1.4
124.04799	2.8
125.09634	6.5
127.11230	2.1
129.07024	3.6
131.08563	15.9
133.10147	27.6
135.08061	5.8
135.11702	8.3
137.05988	25.8
137.09636	10.0
139.11148	1.7
141.12790	1.8
143.08580	2.6
145.10152	15.8
147.08118	2.4
147.11699	21.5
149.09631	14.9
149.13269	4.8
151.11195	5.1
155.08595	2.5
157.10124	4.8
159.11710	12.5
161.09618	2.3
161.13324	4.1
163.11205	10.4
165.09077	2.5
165.12808	4.3
169.10114	2.8
171.11694	3.7
173.13283	6.6
175.11201	3.6
177.12787	2.9
178.06267	1.8
185.13292	2.4
187.11281	2.8
187.14886	2.8
189.11205	5.6
189.12733	1.9
193.12204	1.6
195.13841	2.4
199.14949	3.1
201.12784	2.2
203.14349	1.6
215.14256	2.3
217.15973	1.6
219.17514	1.7
229.19595	4.1
239.17973	4.5
247.20572	5.3
257.19031	12.7
266.68240	1.5
275.20087	100.0
293.08023	3.9
293.21127	43.0
300.86197	1.7
302.93536	1.5
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
55.01863	1.5
55.05268	0.8
55.05512	9.5
57.03429	1.1
57.07059	2.1
58.23275	0.6
59.05006	2.9
65.03947	1.2
67.05507	10.0
69.03437	5.0
69.07064	6.3
69.97029	1.4
69.97416	1.4
70.06600	0.8
71.04980	2.1
73.06541	0.8
73.55256	0.7
76.47533	0.5
79.05492	5.7
81.03400	0.9
81.07059	12.7
83.04981	7.2
83.08626	4.4
84.08126	0.7
85.06536	5.3
91.05067	0.5
91.05488	5.7
93.07047	12.1
95.04976	9.6
95.08612	10.8
97.02884	0.8
97.06518	3.4
97.10152	2.7
98.97586	0.7
99.08074	1.4
101.06017	8.1
101.26112	0.6
105.07025	8.2
107.04930	2.3
107.08595	15.3
109.06519	5.2
109.09460	1.1
109.10152	10.2
111.04436	1.4
111.08092	3.4
113.06012	1.6
113.09639	2.2
117.07023	1.0
119.04951	4.3
119.08580	6.6
121.06511	8.1
121.10148	21.6
123.04433	21.7
123.05338	1.1
123.08051	2.6
123.11694	5.5
124.04609	0.6
125.06014	0.7
125.09645	7.0
127.07539	2.4
129.06955	0.6
131.04910	3.4
131.08557	4.3
133.10139	7.8
135.08067	7.8
135.11694	3.7
137.06046	0.7
137.09615	3.5
137.13202	1.0
139.03914	0.6
139.07553	1.3
139.11180	2.6
141.06953	0.7
141.09013	0.6
143.08606	1.4
145.10106	4.5
147.04419	21.1
147.08032	1.8
147.11711	4.4
149.02339	5.7
149.05966	1.4
149.09619	9.6
149.13277	3.7
151.11205	3.4
153.09093	5.1
154.32388	0.6
157.10136	1.4
158.10954	0.9
159.08078	1.5
159.11731	4.1
161.09612	2.2
161.13210	1.9
163.07535	0.9
163.11180	3.0
163.14812	2.6
163.16180	0.7
165.09105	2.2
167.10687	2.9
171.11676	0.9
173.09607	1.5
173.13274	7.0
175.07523	1.2
175.11214	2.0
175.14783	1.8
177.09102	1.6
177.12756	1.8
179.10674	10.8
181.12163	1.3
183.11656	0.8
185.13303	0.7
187.11153	2.0
187.14873	2.9
189.12796	1.0
189.16415	0.8
191.10558	0.8
191.14285	4.8
193.12274	1.6
194.07227	0.6
195.07959	0.7
196.13286	0.7
199.14804	1.4
201.12634	2.7
201.16479	0.9
203.07053	1.8
203.14314	0.7
205.12259	1.7
205.15829	1.0
207.13893	0.9
209.15323	1.2
215.14363	1.2
215.17873	0.8
217.15923	1.9
219.07941	1.0
219.13834	2.8
223.07536	0.9
229.19585	2.1
233.15404	2.4
233.18895	1.5
235.16811	0.7
237.09084	0.6
247.20572	1.5
250.06316	0.7
251.06985	3.4
257.18976	5.5
275.09024	1.1
275.16995	1.6
275.20056	29.2
278.05688	1.9
293.08081	28.2
293.21103	100.0
296.60297	0.7
312.15543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.04065	1.1
55.01745	1.6
55.02031	2.0
55.05367	5.2
55.05671	5.1
57.06948	1.6
57.07238	1.6
67.05348	14.0
67.05756	7.6
69.03296	1.5
69.03631	0.8
69.06912	13.4
69.07333	6.7
69.69427	0.8
71.04864	1.5
71.05235	1.4
77.03784	0.9
79.05322	10.4
79.05836	3.3
81.06889	18.1
81.07426	5.6
83.04809	4.6
83.05344	1.4
83.08445	2.4
85.06401	1.2
91.05311	12.6
91.05927	2.9
93.06869	15.1
93.07528	2.9
95.04794	5.6
95.05465	1.6
95.08428	13.1
95.09115	2.8
97.06353	3.2
97.10014	1.9
98.20692	1.4
105.06853	18.5
105.07642	2.9
107.04781	5.0
107.08410	9.3
109.06336	7.0
109.09976	7.3
111.07931	1.4
117.06841	5.0
119.08398	9.8
121.06323	7.2
121.09963	6.9
123.07887	3.8
123.11532	2.1
125.09428	0.9
127.07393	0.8
128.06018	0.8
129.06891	1.6
131.08392	11.0
133.06299	2.3
133.09947	12.1
135.07881	3.9
135.11508	3.7
137.09451	2.1
141.06813	1.1
143.08414	2.9
145.06346	1.4
145.10136	9.2
147.07881	2.8
147.11693	8.8
149.09644	4.3
149.13081	2.7
149.14188	0.8
151.11224	5.9
155.08427	0.9
157.10040	1.6
159.07860	2.1
159.11714	4.6
161.09474	2.3
161.13060	2.0
163.11212	3.7
165.12610	0.8
169.10092	0.8
171.11559	1.5
173.09561	1.6
173.13287	4.0
175.11037	2.0
175.14662	1.1
177.12585	1.8
183.11545	2.1
187.11171	1.7
187.14742	0.9
189.12598	1.3
191.14185	2.9
197.13272	1.6
201.12645	2.6
207.13739	2.2
213.16350	0.9
215.14204	1.0
215.17870	1.1
217.15718	1.0
219.13802	5.5
222.27289	0.8
229.19421	2.2
231.17458	1.0
233.18869	0.9
239.17899	2.4
247.20572	3.1
257.19073	12.5
275.20105	100.0
293.21146	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.00473	1.8
51.37334	1.5
51.87660	1.8
53.03936	8.8
55.01867	10.8
55.05276	3.8
55.05516	49.9
57.03434	3.7
57.07071	5.7
62.68482	1.8
67.05507	49.3
69.07069	21.7
70.83049	3.8
71.04986	4.1
79.05495	77.2
81.03423	10.8
81.07060	45.6
83.04992	16.4
83.08627	20.1
85.06544	2.9
86.64016	1.9
91.05490	33.9
93.07050	46.1
95.04978	9.9
95.08063	2.5
95.08610	24.6
97.06528	10.9
97.10168	15.7
105.04482	2.5
105.07034	35.5
107.04956	36.7
107.08596	55.2
109.06530	5.4
109.10166	20.3
111.08090	6.0
117.07047	13.5
119.08593	25.3
121.06478	4.5
121.10157	21.3
123.08056	4.5
123.11723	5.9
125.09638	20.8
129.06973	3.3
131.08577	14.8
133.10126	29.6
134.90746	1.7
135.08044	7.9
135.11679	5.8
137.09624	4.2
138.37857	1.9
143.08603	2.1
145.06444	3.5
145.10127	14.6
147.08038	2.1
147.11711	21.0
149.09622	65.4
149.13246	2.2
151.11205	2.9
153.09077	4.5
154.94115	2.7
157.10127	4.6
159.11711	10.8
161.13252	5.6
163.11180	5.3
163.14879	3.1
169.10188	4.7
169.12231	2.7
171.10201	2.9
173.11835	3.4
173.13303	6.8
177.12764	4.4
181.05011	2.1
181.12363	2.0
183.11662	3.1
187.11197	5.5
187.13248	3.0
187.14772	3.1
189.11179	15.7
191.10706	4.6
195.10193	2.2
195.13808	2.5
197.13213	2.6
209.11794	5.3
209.15361	7.6
215.14456	2.3
229.19536	10.7
237.11234	12.6
239.18004	5.9
247.20596	6.2
257.18982	17.0
275.20071	100.0
293.21075	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03933	3.1
53.75734	1.8
55.01873	5.2
55.05523	14.1
55.55462	1.6
57.03434	2.2
57.07063	5.4
61.53674	1.8
63.30088	1.8
65.03949	3.1
67.05512	52.3
67.27199	1.7
69.07069	14.4
70.96539	4.1
71.04987	4.8
74.99433	1.7
79.05502	24.9
81.07065	36.2
83.04984	3.1
83.08615	5.5
91.05495	38.3
93.07045	21.1
95.04976	4.5
95.08616	25.5
97.06528	4.1
105.07042	48.5
107.08601	14.5
109.06571	3.5
109.10170	18.7
111.04470	2.0
117.07007	12.6
119.08593	29.1
121.06516	2.6
121.10131	9.7
123.08064	4.9
123.11768	3.8
129.06973	2.5
131.08595	18.1
133.10155	32.1
135.08055	3.6
135.11693	7.3
137.09610	5.1
143.08635	2.0
145.10110	13.4
147.11705	24.8
149.09651	9.1
149.13287	2.5
155.57623	1.9
157.10114	4.0
159.08147	2.7
159.11682	8.2
161.13281	6.9
166.43135	1.8
169.10197	2.9
173.13255	9.8
177.42564	1.7
187.11073	2.7
187.14922	2.4
191.10800	2.8
195.08034	3.0
197.13211	3.9
201.12857	2.1
202.32701	1.7
209.11780	5.1
219.08136	2.5
229.19434	2.5
237.11221	6.7
239.17825	4.3
242.46973	2.1
247.07695	2.4
247.20667	4.5
250.06367	3.5
251.07066	8.6
257.19119	6.0
275.20090	92.2
278.05743	9.8
293.08109	100.0
293.20993	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03962	4.3
55.01882	10.3
55.05269	1.5
55.05520	23.2
57.03421	1.1
57.07079	1.2
59.05013	1.4
61.35410	0.7
65.03940	2.2
67.05513	20.8
69.03450	2.6
69.07078	15.6
70.10332	2.9
71.04989	2.5
73.56891	0.8
75.03229	0.7
77.03900	0.7
79.05503	42.5
81.03426	4.9
81.07068	22.5
82.02592	0.8
83.04979	5.6
83.08633	14.3
85.06541	1.9
91.05491	25.4
93.07059	17.8
95.04989	5.7
95.08611	14.1
97.06552	15.1
97.10181	20.3
103.05495	1.2
105.07043	29.8
107.04977	8.3
107.08610	100.0
109.06546	5.1
109.10176	6.4
111.08096	2.1
117.07056	6.5
119.06082	2.0
119.08600	17.4
121.06543	2.9
121.10148	8.1
123.08090	3.4
123.11724	2.9
125.09645	19.2
129.07011	1.9
131.08582	8.8
133.09216	0.5
133.10156	15.8
133.11121	1.8
135.08032	4.7
135.11734	4.7
137.09621	2.5
143.08597	1.8
143.10706	1.0
145.06493	1.2
145.10162	10.9
147.11705	12.1
149.09641	13.8
149.13252	1.3
151.11211	2.9
153.09151	2.1
153.12729	0.9
157.10211	1.9
159.11688	6.7
161.13310	4.0
163.11209	4.4
165.09128	2.9
169.10120	2.6
171.10194	1.4
171.11684	1.8
173.11821	1.3
173.13255	2.2
177.12819	1.9
181.12222	2.3
183.11728	2.0
187.11177	1.7
187.14847	1.7
189.11249	13.9
189.12802	0.7
197.13286	2.4
223.38968	0.9
229.19461	2.5
239.17940	3.5
247.20605	2.6
257.19028	10.7
275.20096	84.1
293.08215	6.9
293.21182	16.1
293.27612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	26.5
55.01878	13.8
55.05517	20.9
57.03425	2.6
63.36919	2.3
67.05508	52.1
69.07074	43.6
69.15449	2.2
71.05031	2.7
71.62575	2.7
79.05498	40.5
80.19642	2.4
81.03419	59.1
81.06590	4.7
81.07061	85.2
81.70151	2.2
83.04993	12.9
83.08617	9.6
85.06532	2.5
88.99866	2.5
91.05483	61.3
93.07050	48.6
95.01331	10.4
95.04968	18.4
95.08607	45.6
97.06533	29.3
97.10157	5.2
99.08125	3.8
105.07036	100.0
107.04945	25.9
107.08617	21.1
109.06522	7.2
109.10166	8.0
111.08072	5.2
117.07016	19.4
119.08587	53.5
121.06503	6.3
121.10149	8.3
123.04438	4.4
123.08056	14.1
123.11723	3.3
125.09628	2.7
131.08572	29.8
133.10139	60.8
135.08081	6.0
135.11716	17.1
141.07042	6.4
143.08563	4.5
145.06494	9.5
145.10118	20.8
147.11685	22.1
149.09625	7.2
149.13266	5.2
157.10216	5.3
159.11700	21.0
161.09709	4.0
161.13235	6.2
163.11224	2.8
165.09151	3.4
169.10184	7.6
171.11674	4.6
173.13220	6.0
177.12729	12.0
179.14291	15.8
183.11720	3.1
187.11203	14.7
192.88788	2.5
195.13857	3.7
205.12193	3.7
223.13264	4.5
229.36952	2.6
241.14445	4.9
247.20697	5.5
257.19006	10.0
263.54578	2.7
275.20062	84.8
293.21164	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.02405	1.0
53.03938	3.8
55.01878	10.9
55.05274	1.5
55.05515	22.2
57.03437	2.9
59.04969	1.2
65.03932	3.0
67.05509	40.3
69.03423	4.1
69.06728	1.6
69.07076	21.4
71.04987	3.9
79.05501	38.8
79.05968	1.9
81.03431	6.1
81.07063	58.3
83.04981	8.1
83.08625	12.5
85.06528	3.2
91.05482	31.6
93.07042	25.6
95.04976	10.2
95.08611	26.6
97.06545	13.9
97.10188	12.0
101.06002	1.5
103.05455	1.9
105.07038	32.4
107.04981	11.1
107.08601	41.9
109.06528	13.9
109.10168	19.8
111.04465	1.4
111.08071	3.5
117.07030	7.4
119.04948	13.3
119.08592	22.1
121.06525	6.5
121.10149	17.3
123.08065	7.1
123.11745	5.2
125.09641	11.9
129.07005	3.5
131.08574	16.2
133.06430	1.7
133.10150	19.9
135.08064	7.5
135.11674	9.5
137.09607	6.7
139.11169	4.3
141.06992	1.8
143.08589	2.1
145.06435	1.8
145.09041	1.7
145.10127	14.2
147.04422	71.7
147.08051	2.5
147.11705	15.1
149.09624	15.4
149.13252	4.8
151.11192	7.5
155.10664	2.2
157.10136	4.0
159.08066	1.7
159.11719	8.8
161.09621	2.6
161.13321	5.3
163.11185	8.7
165.09117	6.0
165.12776	3.2
169.10156	3.8
171.10220	1.7
171.11711	4.0
173.09665	2.1
173.13214	8.0
175.11195	2.1
175.14841	1.4
177.12761	5.1
179.14302	2.0
180.45683	1.2
181.12160	1.8
183.11716	3.8
185.13208	1.8
187.11197	3.8
187.14789	2.3
189.11215	6.1
191.14339	2.1
193.12222	1.7
197.13286	3.5
201.05458	2.2
205.12177	1.4
215.14299	1.4
215.17984	1.6
223.13251	2.6
229.19530	5.9
239.17961	6.3
247.20561	6.9
257.19025	12.1
265.21640	1.9
275.09091	3.6
275.20071	100.0
293.07999	5.2
293.21146	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	4.4
53.65919	1.1
55.01869	6.4
55.05514	17.3
55.44179	1.1
57.03415	1.3
57.07075	3.3
58.46620	1.3
62.91539	1.0
65.47496	1.0
65.85223	1.0
67.05511	32.1
69.06731	1.4
69.07076	18.9
70.12903	1.6
70.13300	2.7
71.05009	2.4
71.08618	1.1
79.05019	1.1
79.05496	31.7
81.03423	5.6
81.07062	100.0
83.04987	4.5
83.08620	13.5
85.06537	3.1
91.05479	19.8
93.07049	17.7
95.04974	14.1
95.08613	21.1
97.06541	7.7
97.10159	3.4
99.08089	2.4
105.07035	24.3
107.04955	8.3
107.08598	17.2
109.06524	36.7
109.10165	13.5
111.08089	4.3
117.07031	5.9
118.33465	1.1
119.08586	17.0
121.06537	3.6
121.10146	12.0
123.08074	8.7
123.11723	6.1
125.09633	2.5
125.13367	1.1
129.07037	2.2
131.08588	8.3
133.06544	1.5
133.10139	16.3
135.08086	3.7
135.11679	6.9
137.09622	3.9
137.13266	1.6
139.11153	1.7
143.08640	1.3
145.10146	8.4
147.11681	15.1
149.09627	9.4
149.13264	6.1
151.11201	4.2
157.10133	3.2
159.11696	7.1
161.09669	2.2
161.13307	3.0
163.11162	7.7
163.14862	2.3
165.12753	5.3
169.10129	2.1
171.11722	1.1
173.09691	2.9
173.13255	4.1
175.11195	3.2
177.12787	1.7
183.11699	2.7
183.15370	1.1
187.11263	2.0
187.14923	1.4
191.10797	1.2
191.14346	1.6
193.12294	4.2
229.19534	3.1
233.18811	1.2
237.11108	1.6
239.17979	2.9
247.20604	4.4
257.18976	7.3
275.20081	70.4
293.08026	7.9
293.21155	36.3
293.28323	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	3.0
55.05513	6.0
56.96566	0.6
57.03438	0.8
57.07063	0.8
65.03935	0.9
67.05186	0.8
67.05510	12.0
68.46153	0.5
68.99786	1.0
69.03426	1.1
69.06726	0.7
69.07069	5.1
70.06597	0.9
70.20841	0.5
71.04996	1.3
73.02921	0.6
79.05067	1.0
79.05496	10.9
81.03417	1.9
81.06594	1.1
81.07065	22.6
83.04977	2.4
83.08613	4.5
85.06539	1.6
86.09698	0.6
91.05487	8.4
93.07047	9.8
95.04982	3.6
95.08612	9.5
97.06532	3.2
97.10181	2.3
97.14439	0.5
98.20766	1.7
99.08066	0.6
103.05444	0.6
105.07041	9.6
107.04962	2.9
107.08598	8.8
109.06522	6.9
109.10159	4.4
111.08053	0.9
117.07031	3.5
119.08574	8.2
120.19720	0.5
121.06540	1.3
121.10149	4.2
121.10900	0.6
123.08109	2.7
123.11723	1.7
125.09641	2.8
129.06998	0.7
131.04961	0.8
131.08592	4.0
133.06464	0.6
133.10129	8.4
135.08025	1.8
135.11729	1.5
137.09618	2.1
143.08575	1.1
145.10127	3.8
146.73654	0.5
147.04460	1.1
147.08025	1.3
147.11708	5.0
149.01208	0.9
149.02318	0.6
149.09616	3.8
149.13263	1.4
151.07614	0.6
151.11206	2.3
157.10133	1.9
159.11716	3.2
161.13252	1.6
163.11194	3.1
163.14754	1.0
165.12730	0.7
169.10164	1.1
171.11624	1.3
173.09637	0.7
173.13252	1.4
175.11169	0.8
175.14722	0.7
177.12692	0.7
183.11723	0.7
185.13243	1.0
187.14796	0.8
189.11198	1.0
191.08531	0.7
191.14301	0.7
193.12143	0.8
195.08067	3.8
195.19463	0.8
197.13301	0.9
201.12796	0.7
213.16328	0.7
215.17932	0.6
219.08096	3.6
219.13907	0.7
223.07620	1.3
223.13251	1.0
229.19487	1.2
229.40236	0.7
237.09158	1.9
239.17963	2.5
247.07533	2.2
247.20596	1.9
250.06250	1.8
251.07059	9.3
257.19055	4.4
264.11209	0.9
265.08643	0.7
275.07068	3.0
275.20081	30.2
278.05771	10.0
293.08084	100.0
293.21085	11.4
293.28122	1.1
294.08319	2.0
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
50.44516	1.1
51.02389	1.0
53.03938	1.7
55.05509	8.9
57.07074	3.6
65.03933	2.5
67.05508	100.0
69.07072	11.4
70.22569	1.1
71.53004	1.4
79.05495	16.9
81.07059	99.2
83.04997	1.3
83.08628	7.3
85.06558	2.2
91.05515	8.1
93.07056	15.9
95.08611	88.9
97.06516	2.0
97.10179	4.1
99.51196	1.2
101.06014	1.5
105.07023	5.7
107.08591	11.3
109.06512	1.4
109.10162	29.1
110.91842	1.1
117.07040	2.2
119.08596	4.9
121.10164	12.4
123.08073	2.8
123.11710	20.0
126.22544	1.2
131.08556	7.1
133.10129	5.3
135.08041	2.0
135.11703	8.6
137.09628	3.4
137.13248	11.3
145.10132	4.9
147.11682	4.7
149.09621	2.6
149.13249	5.4
151.11201	2.0
151.14825	4.5
155.10666	1.3
159.11703	5.4
161.13261	4.0
163.11211	3.2
163.14821	4.7
165.12839	1.4
165.16405	1.6
173.13274	6.7
177.12778	3.7
177.16429	2.2
187.14848	3.8
191.10728	1.5
191.14275	3.2
201.16495	1.7
205.15981	1.5
209.11647	3.2
209.15239	1.4
219.20995	1.4
223.16797	1.5
237.11159	6.8
243.21025	5.8
260.87369	1.2
261.22159	6.6
293.24777	21.3
301.02304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05519	7.7
57.07072	5.8
67.05513	80.4
69.07075	10.0
69.76223	4.6
69.76639	3.8
79.05506	10.2
81.07067	100.0
83.04989	3.1
83.08617	4.5
85.06535	1.6
91.05472	5.2
93.07077	10.8
95.08618	75.8
97.10185	3.3
98.21423	2.3
105.07020	3.6
107.08570	8.9
109.10168	40.3
111.04436	1.9
119.08588	4.3
121.10151	6.5
123.08093	1.5
123.11707	31.8
131.08588	3.6
133.10114	2.7
135.11682	6.9
137.09644	2.0
137.13275	13.7
137.46051	1.6
143.10435	1.8
145.10123	4.6
147.11670	3.8
149.13261	5.0
151.14812	2.5
153.05450	2.4
159.11700	4.3
161.13239	2.7
163.14825	3.4
165.12749	2.7
173.13309	4.8
177.12798	3.1
177.16336	3.2
181.05003	1.7
181.12302	2.7
187.14880	2.8
194.47726	1.7
205.16037	2.1
209.11800	4.5
228.57927	1.6
237.11212	9.9
237.18483	2.2
243.21051	5.4
261.22241	8.6
293.21674	2.2
293.24832	39.8
304.84918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1337
Annotation	Chlorantene B
Peak:m/z	Relative Intensity
55.15475	0.4
56.05032	1.0
57.07055	0.4
58.06604	0.5
65.66468	0.3
66.35078	0.3
67.05503	0.5
69.07054	0.5
70.06590	2.8
70.46616	1.1
79.05489	0.5
81.07052	1.4
82.06597	0.5
84.04370	0.4
84.08161	0.5
91.05475	1.2
92.05801	0.8
93.07057	0.9
94.06558	1.8
95.07372	0.6
95.08603	0.6
97.06557	0.4
98.09697	2.9
103.20595	0.4
105.03395	0.4
105.07039	0.6
107.04978	0.5
108.08127	3.6
109.10165	0.4
110.09660	0.3
112.07617	9.3
113.02370	0.4
119.04957	2.0
120.05267	1.8
126.09171	0.8
127.09946	11.3
136.07594	5.9
136.11195	2.5
139.03937	0.5
146.47574	0.3
147.04430	7.0
148.04758	9.0
150.09142	2.1
155.03317	0.6
159.04428	1.0
160.07602	3.1
161.13248	0.6
163.03912	3.1
174.09164	0.8
177.05511	1.3
178.08641	5.3
178.15930	0.6
181.05008	2.6
187.03857	2.5
192.10181	0.5
193.04964	1.0
196.16986	0.4
201.05495	0.9
202.08649	3.0
203.06998	0.9
205.04971	8.4
207.53171	0.4
215.07039	0.4
216.06573	1.9
216.10258	1.2
217.08551	0.4
219.06561	3.9
219.08922	1.6
220.09755	3.1
226.08676	1.2
231.06590	1.5
233.08121	2.4
234.07674	5.7
234.11243	4.2
244.09750	5.0
245.08162	0.6
262.10764	100.0
263.11011	0.6
274.88330	0.4
276.20499	0.6
276.23111	2.5
285.42786	0.4
294.08435	3.0
294.13376	12.6
294.24289	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	294.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
56.96566	35.5
56.96832	1.7
66.16499	0.5
67.05490	2.9
69.07021	1.0
70.06539	0.7
71.23629	1.0
71.95261	5.3
72.96001	2.6
78.86964	0.6
79.05450	2.2
80.05785	0.6
81.07066	2.8
82.29079	0.6
84.95999	1.3
85.98833	0.5
91.03324	0.5
91.05435	0.9
93.06998	1.6
95.08561	1.9
97.96798	1.1
98.09634	1.7
105.00030	0.7
105.07047	0.7
107.08566	1.2
109.10110	0.8
110.97542	1.6
112.07607	0.7
115.00649	0.8
119.01744	0.8
123.01196	0.9
124.11178	0.9
128.98587	1.2
136.11188	2.8
137.02673	2.4
137.78908	0.6
145.01811	0.7
151.04283	0.6
177.05850	1.0
178.15862	0.6
179.07417	1.4
195.07005	0.7
207.10481	0.7
223.10085	3.4
235.10069	6.0
241.11110	42.0
252.19836	0.6
253.11113	80.7
259.12173	37.4
262.10748	7.5
264.12756	2.7
271.12167	100.0
276.12628	3.3
276.20404	1.7
276.23267	3.1
276.26843	17.0
282.13754	2.5
288.41302	0.7
289.13177	2.2
294.08627	4.4
294.13721	16.1
294.18661	4.4
294.24243	2.5
294.27963	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	294.1702
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
51.42788	0.7
55.01883	0.7
55.05508	3.9
56.05009	0.9
56.25984	0.7
57.03444	9.6
67.05503	2.2
69.07061	1.6
72.08174	0.8
79.05492	3.5
80.05027	1.5
81.07046	2.3
83.08630	0.9
91.05487	3.6
93.07061	6.4
94.06600	4.1
95.04985	0.6
95.08608	1.5
96.08094	0.7
97.02911	0.7
97.06528	0.8
98.09654	0.7
98.21513	1.7
105.07040	2.7
106.06539	2.5
107.07311	2.0
107.08577	2.8
108.08128	2.0
109.06561	1.1
109.10163	1.1
112.07528	0.6
117.05811	1.0
117.07004	1.5
118.06551	2.6
119.07348	1.5
119.08577	2.9
120.08131	7.4
122.09656	2.4
123.08043	0.7
124.07590	1.1
124.29894	0.7
130.06479	0.9
131.07330	1.1
131.08572	1.4
132.08092	5.1
133.08928	1.8
133.10083	1.1
134.05998	2.2
134.09659	15.2
134.10658	1.0
135.10423	1.6
136.07591	0.9
136.11223	10.3
137.08369	0.7
138.05545	1.2
138.09167	3.2
144.08096	2.2
145.08878	1.5
146.05936	0.9
146.09630	4.2
147.10397	1.8
147.11629	1.1
148.07556	2.5
148.11220	10.9
150.09120	7.1
150.12820	1.3
151.06367	0.9
152.07031	3.7
158.09607	3.3
159.10521	3.8
159.11647	1.0
160.07579	1.3
160.11246	2.3
162.09175	2.2
162.12805	1.2
164.07076	1.7
164.10712	1.3
166.08594	1.2
172.11241	1.8
173.12054	1.3
174.12804	7.9
176.10706	7.6
176.14336	2.6
178.08626	2.9
178.12283	3.2
178.15904	1.8
180.06526	0.9
180.10207	3.2
186.12787	2.2
188.10655	0.8
188.14302	4.7
190.08650	1.7
190.15959	0.9
191.13078	2.5
192.13847	6.5
194.11783	9.3
194.15416	1.3
196.09673	1.5
202.12297	2.4
202.16205	0.7
204.10292	1.0
204.13860	7.4
206.11758	4.6
206.15396	0.9
208.09743	7.3
210.14606	1.1
211.21254	0.6
220.13345	2.9
222.09109	1.3
222.11272	17.0
224.12848	1.0
230.15413	3.8
232.13422	4.6
232.16992	1.6
234.11339	1.0
238.14384	2.5
240.12451	1.1
242.06320	1.5
248.16498	18.7
248.18973	1.4
250.14397	11.7
250.18063	3.5
252.12238	5.8
258.14987	1.1
276.15964	7.4
276.20428	1.2
276.23206	12.4
294.08493	4.0
294.17026	100.0
294.23859	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02379	0.2
51.36515	0.2
52.82920	0.1
55.05512	0.3
57.07078	0.3
57.85728	0.2
58.02960	0.2
58.07384	0.2
66.04710	0.2
67.05503	0.9
67.72847	0.1
69.07056	0.3
71.08634	0.4
73.41152	0.1
79.05494	0.6
81.07073	1.8
84.00462	0.1
91.05477	0.5
94.00053	0.1
94.04190	1.7
95.08602	0.2
97.10169	0.2
97.91022	0.1
105.07066	0.2
106.07368	0.1
107.04935	0.3
109.06534	0.3
122.03658	5.6
123.11709	1.5
124.63766	0.1
137.05988	100.0
139.11101	0.2
141.12750	0.3
158.15422	1.3
170.15421	2.3
188.73659	0.1
190.29442	0.1
210.12259	0.2
238.11639	0.2
247.92313	0.1
258.19080	0.2
268.18369	0.1
276.20441	0.4
277.83640	0.2
280.53516	0.1
293.36179	0.1
294.20734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05505	0.2
57.07085	1.2
60.55450	0.2
65.03928	0.3
66.04752	0.2
67.05510	0.4
69.07063	0.3
71.08629	1.1
79.05511	0.9
81.07043	0.7
82.07389	0.2
88.07594	0.2
91.05481	0.6
93.06966	0.2
94.04208	1.6
105.07031	0.5
107.04955	0.4
107.08605	0.7
108.08951	0.3
109.06522	0.4
109.10147	0.2
110.10464	0.2
122.03662	5.8
137.05991	100.0
138.06296	0.4
141.12769	2.6
158.15439	1.4
168.80374	0.2
170.02740	0.2
170.15436	0.4
171.59119	0.2
171.73213	0.2
194.90225	0.2
219.48071	0.2
248.03088	0.2
258.19531	0.3
276.20477	1.0
294.20828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95836	0.5
51.36981	0.5
51.49148	0.6
53.03957	0.7
66.05350	0.6
68.99774	1.0
69.84657	0.5
70.02949	9.2
70.03314	1.0
70.03717	0.9
74.02441	3.3
86.02416	2.4
87.00832	2.0
88.03994	39.2
92.04978	0.9
94.06570	44.1
95.04943	1.0
98.02431	1.2
99.00826	4.0
104.03472	14.0
104.04962	2.8
116.03461	2.8
118.06564	2.2
120.04461	10.6
122.06030	0.6
128.04901	0.9
130.05019	1.7
132.04431	5.7
136.07593	1.2
146.06012	100.0
150.05481	3.5
156.02980	3.3
158.04506	1.3
163.08698	1.6
174.03990	16.9
174.05530	43.3
184.02435	1.0
192.06563	7.8
202.03479	18.5
218.51118	0.6
222.20181	0.6
233.09348	0.9
259.06976	0.8
277.08102	4.0
295.09265	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	295.1291
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
53.03948	0.7
55.05506	0.7
56.05021	1.9
56.96547	0.5
57.03415	0.6
60.04514	1.0
61.02923	1.0
67.05487	1.1
69.03424	2.1
69.07066	2.1
70.02942	2.4
70.06580	2.8
70.90946	0.9
71.04985	0.7
72.08162	2.6
73.02924	0.5
74.02435	1.2
79.05514	1.1
81.03414	0.8
81.07038	0.5
83.04971	0.6
84.04506	35.0
84.08149	5.2
85.02914	7.5
85.08476	0.5
86.09702	3.3
87.00840	0.8
87.08129	0.8
88.03997	12.9
91.05453	2.2
93.07043	1.2
94.06570	14.6
95.04954	0.6
95.08610	0.8
97.02899	2.1
99.00829	1.4
99.04451	0.5
102.05531	1.6
103.05469	7.2
104.03464	5.0
104.04977	1.0
105.03353	0.8
105.07004	0.7
107.04961	3.0
109.02896	1.2
116.03450	1.1
116.07106	1.6
118.06564	1.1
119.04924	1.1
120.04490	4.0
120.08109	100.0
120.65700	0.4
120.99683	0.4
121.02876	1.1
123.04450	0.7
127.03914	1.0
129.10275	2.2
130.05011	8.5
130.10635	0.4
131.04916	4.5
132.04472	1.5
133.04988	0.5
136.07605	3.0
139.03990	1.1
141.06602	0.5
145.04984	1.7
146.06017	32.8
147.04424	1.6
148.03903	3.7
148.05943	0.7
149.05986	2.5
149.08029	0.5
150.05495	1.4
150.07759	2.6
156.02946	1.6
163.03905	1.8
166.08649	46.0
166.12358	1.3
167.25168	0.5
174.03998	6.1
174.05536	13.9
181.05009	0.9
183.14909	0.4
186.09148	7.5
189.05479	0.7
192.06519	2.8
193.04985	0.5
202.01668	0.7
202.03470	5.3
205.04877	0.6
209.09137	0.5
232.09650	5.4
247.06067	2.0
249.12363	0.5
277.08063	1.1
277.11978	1.1
277.15579	0.6
278.10196	4.8
295.09576	0.9
295.12921	8.9
295.16275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03938	3.1
55.01873	2.7
55.05516	17.9
55.30247	1.2
57.03421	3.8
57.07064	3.8
59.04998	1.6
67.05510	48.1
69.07071	18.0
69.72719	3.2
69.73122	5.4
71.08636	40.5
79.05499	35.5
81.03410	3.8
81.06587	2.6
81.07059	47.3
83.04990	10.7
83.08619	11.3
85.06525	2.1
91.04972	2.0
91.05490	23.3
93.07050	58.2
95.04968	8.4
95.08612	29.8
97.06542	9.0
97.10163	7.1
99.07506	2.1
99.08101	31.4
105.07025	12.9
107.04937	4.8
107.08597	30.1
109.06494	2.8
109.10155	16.6
111.08103	3.5
113.09621	1.8
117.07021	3.3
119.08585	12.3
121.10155	28.8
123.08074	3.3
123.11729	2.5
125.09636	4.5
129.06993	1.6
131.08551	4.5
133.10150	10.1
135.11696	35.5
137.09587	4.7
141.09077	3.7
143.08585	2.2
145.10103	3.7
147.11664	5.3
149.13283	11.3
151.11203	15.7
153.12799	2.4
159.11697	4.1
161.13266	11.9
163.11180	4.5
163.14787	3.4
167.10680	3.3
170.75471	1.4
175.14758	2.0
177.12744	2.9
179.14319	100.0
180.98540	1.4
181.12233	2.6
185.13266	3.2
189.11195	2.5
189.12737	2.6
195.13885	1.7
199.14769	2.3
221.15489	3.2
235.16920	4.6
259.20520	6.0
277.21634	56.4
295.22882	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	10.6
55.01864	5.2
55.05513	20.0
56.94217	1.4
57.07076	6.2
61.53143	1.6
65.03957	1.7
67.05506	40.5
69.07071	32.2
71.04980	2.1
71.08620	2.8
71.52365	2.2
79.05498	24.5
81.03422	43.9
81.07063	36.2
81.98172	1.6
83.05004	8.6
83.08627	11.0
85.06531	3.2
85.10184	3.8
91.05479	16.2
93.07043	30.1
95.04975	26.5
95.08623	14.1
97.06525	4.0
97.10174	7.4
99.08099	2.8
105.07030	15.3
107.04991	1.7
107.08603	16.0
109.06515	7.1
109.10141	12.6
111.08104	4.4
117.06997	2.0
119.08590	9.8
121.10148	8.8
123.08064	4.7
123.11716	3.9
125.09645	7.0
129.06989	2.5
131.08568	2.0
133.10139	15.8
135.08055	4.4
135.11740	8.1
137.09589	1.8
137.13278	2.1
143.08569	1.9
145.10129	2.3
147.11687	12.0
149.09578	1.6
149.13277	5.2
151.11180	32.4
153.09084	4.9
153.12758	1.7
157.10193	2.0
161.13243	8.9
163.14838	5.1
165.12776	7.8
171.11670	3.7
172.56575	1.5
175.11095	1.5
175.14844	3.7
177.12738	2.5
179.14268	3.2
181.57745	1.5
185.13203	2.5
189.12718	2.2
193.12303	2.2
207.13751	2.9
217.19470	2.2
221.15329	2.8
231.21063	10.3
241.19542	6.4
249.22139	3.2
259.20667	7.5
277.21643	100.0
295.09180	1.6
295.20291	2.4
295.22974	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	296.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
56.05033	2.4
64.41392	0.4
69.03431	0.7
70.02939	0.7
70.06579	1.5
71.10844	0.8
72.08139	0.6
74.02427	1.2
80.02930	0.4
82.06564	1.1
84.08141	1.6
85.02914	0.5
86.09739	0.4
88.03997	3.1
89.04298	0.8
91.05471	0.5
94.06583	2.4
95.06890	1.4
104.03435	0.9
105.06997	0.6
107.04977	0.5
107.44088	0.4
109.02888	0.5
109.06612	0.4
120.04501	0.6
120.08067	0.4
124.07574	0.7
129.10210	0.6
131.97964	0.4
133.04845	0.4
133.06525	0.7
136.07571	0.5
146.06047	3.1
147.06358	6.0
150.22411	0.4
151.03862	2.0
161.05969	2.8
161.09590	0.8
163.03903	19.2
163.07529	0.5
165.05475	0.8
174.04034	0.9
174.05510	1.1
175.04292	0.8
175.05833	3.2
177.05479	21.8
181.04964	1.0
187.07562	6.9
189.05467	33.4
189.08994	2.5
191.07083	2.7
192.06511	0.6
196.07574	0.7
197.06160	0.5
198.09265	0.5
199.07556	0.9
200.92424	0.4
202.03436	0.7
203.03822	0.9
203.95261	0.5
205.08577	0.6
206.11726	0.6
214.08641	1.4
215.07018	1.3
216.06735	0.5
216.08313	0.8
216.10211	9.1
217.08595	6.5
232.09695	19.8
233.08066	1.7
234.11293	1.7
260.09271	0.8
278.10236	100.0
279.10587	0.5
296.11356	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	296.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05273	0.7
55.05511	10.6
58.93616	0.4
67.05491	2.4
69.07064	1.6
69.97688	2.3
70.02945	1.5
70.06593	1.2
71.04978	1.6
72.08150	0.5
73.06544	1.3
79.05464	0.9
81.07057	1.3
85.02879	0.6
87.04454	0.6
90.91058	0.4
90.96960	0.5
93.07049	0.8
95.08590	1.0
96.04430	0.5
97.02934	0.5
98.06034	0.5
98.21460	0.7
104.04994	0.6
105.03397	1.0
107.08619	1.1
108.04558	0.5
109.10157	13.9
112.03964	2.1
115.17671	0.5
116.66813	0.5
119.04917	0.7
122.06063	0.9
123.04434	0.6
127.03928	0.5
127.11204	2.2
132.04478	3.0
133.02864	1.6
136.03963	1.0
140.03407	1.0
147.04405	1.9
149.02315	1.1
149.13260	1.1
150.05463	1.5
152.03371	0.5
154.04979	2.3
160.03975	3.6
164.03400	1.1
166.12289	1.8
168.06625	0.8
178.04994	6.7
182.04529	2.3
183.05281	0.9
188.03421	28.4
194.04544	1.2
196.06143	3.2
206.04491	100.0
208.06105	0.7
224.05544	36.1
226.07083	0.7
249.10051	0.6
250.10623	1.1
260.09149	0.9
278.10205	2.4
278.21207	0.7
296.11249	3.0
296.18549	6.0
296.22223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2009
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
52.16706	0.6
53.03939	1.2
54.35278	0.6
55.05507	0.7
56.96585	0.6
67.05491	0.7
69.03413	0.6
69.07073	1.5
71.52657	0.9
77.03900	0.7
79.05468	0.7
81.07040	1.3
90.35693	0.6
91.05480	7.5
93.06488	1.1
93.07045	13.0
95.04957	1.6
95.08593	0.9
98.97540	1.2
103.05464	9.6
105.04505	1.0
105.07018	0.8
107.08626	0.6
111.11661	0.6
118.06533	5.4
121.06509	62.7
132.08127	1.0
133.08891	1.1
146.09610	1.6
164.65773	0.6
176.14352	70.5
177.14716	1.0
197.80389	0.7
231.08745	0.6
278.10132	0.7
291.03668	0.6
296.20096	100.0
297.20517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2012
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
53.03947	2.5
55.05516	1.4
67.05506	1.5
69.03423	0.8
69.07078	2.0
70.06599	0.7
71.52473	0.8
72.08170	0.9
77.03958	0.8
79.05495	1.2
81.07059	1.6
83.01328	0.9
84.08167	1.1
85.02908	1.1
89.07370	0.7
91.05496	10.0
93.07050	19.8
95.04970	3.2
95.08622	2.0
103.05479	10.8
105.04533	1.2
105.07078	0.8
107.08612	3.1
109.10166	1.4
113.11607	0.6
114.09161	0.7
116.45442	0.6
118.06548	2.7
118.08686	1.0
121.06515	99.8
122.68548	0.6
132.08133	1.1
133.08910	0.8
146.09642	1.2
149.13274	1.4
154.05064	0.9
163.03909	1.7
165.04213	1.0
169.04942	1.3
174.31987	0.6
176.14368	66.2
179.03442	1.9
179.14284	0.8
183.05362	0.9
188.03543	1.4
197.04460	8.2
198.14923	1.1
206.04518	5.7
208.06012	1.6
220.06044	1.9
224.05585	1.3
226.07243	0.7
252.19606	1.1
260.09265	2.1
264.05063	1.0
272.77405	0.7
278.10333	4.7
296.07645	4.0
296.11139	2.0
296.20084	100.0
297.20554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05522	2.5
57.03423	0.9
59.04992	1.3
67.05484	1.0
68.05029	0.5
69.07064	0.8
69.40965	0.4
70.03670	1.9
70.06581	0.5
71.05006	0.7
72.08162	2.6
73.06548	0.6
79.05482	1.2
81.07053	2.0
82.06577	0.4
83.04984	0.4
83.08626	0.8
84.08122	1.4
86.09700	0.5
91.05474	0.9
93.07042	2.5
94.06556	0.5
95.08624	1.8
96.08115	0.8
98.20781	0.4
101.06027	1.9
105.07001	0.8
107.08621	0.9
108.08125	9.2
109.08884	0.8
109.10142	0.8
110.09700	2.3
119.08598	0.8
120.08077	0.4
121.10125	0.6
122.09681	6.9
123.10428	1.3
124.11205	0.8
126.09183	0.5
133.10136	0.6
135.11668	2.5
136.11212	2.2
137.13222	0.9
150.12785	14.8
151.13567	6.0
152.14348	6.0
153.12709	0.7
156.13748	0.4
164.14391	1.6
166.12251	1.1
178.15860	1.1
179.14267	0.5
180.10156	1.9
184.13297	0.7
185.13940	0.4
198.14885	2.4
206.19057	3.8
208.13300	0.9
210.14903	0.6
222.14816	2.6
223.15668	0.5
224.20081	0.8
250.17989	1.3
252.19597	100.0
253.19992	0.7
254.21158	4.2
296.22208	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
50.89576	0.3
51.04137	0.3
53.03941	0.5
55.05505	1.6
56.34824	0.3
57.03436	0.8
59.04988	1.9
64.25864	0.3
67.05502	1.2
68.05026	0.4
69.07055	0.9
69.67761	1.4
70.06591	0.5
71.04982	0.4
72.08157	2.4
73.06570	0.7
79.05489	1.2
80.05009	0.9
80.20957	0.2
81.07035	1.5
82.06570	0.3
83.04980	0.6
84.08146	2.2
91.05485	2.3
92.29321	0.3
93.07045	6.0
94.06554	0.5
95.04978	0.7
95.08605	2.2
96.08112	0.4
98.06097	0.3
98.09679	0.4
98.20765	0.6
101.06018	2.5
103.05483	2.0
105.07022	0.8
107.08595	1.7
108.08120	9.1
109.08900	0.6
109.10135	0.7
109.33740	0.3
110.09657	0.9
111.08134	0.3
118.06539	0.9
119.08561	0.7
121.06506	16.3
121.10066	0.3
122.09673	7.1
123.10436	1.2
124.11219	0.4
130.08627	0.4
133.10135	0.9
135.11710	2.2
136.11205	2.3
137.13229	0.9
146.98259	0.3
147.04398	0.9
148.11154	0.4
150.12782	15.3
151.13576	6.3
152.10713	0.5
152.14330	3.5
153.12730	0.7
161.13202	0.7
164.14362	1.2
166.12260	0.3
172.09700	0.3
176.14339	10.2
178.15977	1.4
180.10207	4.0
192.17488	0.4
194.11783	0.3
196.13446	0.4
198.11273	1.7
198.14903	0.5
206.19032	3.5
208.06058	0.3
208.13248	1.0
210.14908	0.5
222.14940	2.3
223.15741	0.4
224.20007	0.6
250.17995	1.2
250.22025	0.3
252.19586	100.0
253.19835	0.6
254.21246	0.6
278.10263	0.4
278.21277	0.6
296.22485	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2225
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05514	2.4
56.05041	0.6
57.03432	1.3
59.05001	1.9
66.19527	0.4
67.05502	0.7
68.21951	0.4
69.03421	0.6
69.07066	1.5
70.02917	0.4
70.06594	2.3
71.52282	0.7
72.08168	2.7
73.06548	0.9
74.91623	0.4
79.05482	1.5
80.05019	1.5
81.03425	0.5
81.07078	1.9
82.06567	0.5
83.05002	0.8
83.08620	0.7
84.04536	0.4
84.08165	2.3
85.02896	1.0
86.09729	1.8
88.03998	1.7
89.04364	0.9
91.05495	0.9
93.07045	2.9
94.06572	2.5
95.06902	1.5
95.08624	1.4
96.08153	0.4
97.02885	0.5
97.69435	0.4
101.06064	1.9
102.09193	0.9
104.03462	0.5
105.07027	0.5
107.08582	1.9
108.08132	11.8
108.08879	0.7
109.02869	0.5
109.08900	0.9
109.10110	0.4
109.64427	0.4
110.09675	1.0
110.63387	0.5
111.04385	0.4
115.03881	0.4
116.04243	0.4
119.08574	0.5
120.04472	0.5
120.08112	1.6
120.08866	0.4
122.09682	7.8
123.10453	1.4
123.11707	0.4
124.11266	0.6
126.12834	0.4
129.10275	0.6
130.08606	0.4
133.10161	1.0
135.11707	2.0
136.06245	0.4
136.11232	2.0
137.13242	0.7
137.80173	0.3
138.12817	0.5
139.99962	0.3
145.02820	1.0
146.06049	2.5
147.06361	3.2
149.05994	0.6
150.12799	14.8
151.13593	6.5
152.10730	0.8
152.14371	4.4
153.12769	0.5
154.20407	0.4
161.13222	0.5
164.14389	1.1
168.10236	0.4
172.09624	0.4
174.04030	0.6
174.05449	0.6
175.04503	0.4
175.05815	1.8
177.05498	2.0
178.15903	1.3
180.10202	3.8
196.13437	0.4
198.11301	2.8
198.14932	2.1
202.03497	0.6
203.03760	0.4
206.19061	4.9
208.13347	1.1
222.14874	1.9
223.15749	0.6
224.20103	0.9
250.18076	1.1
252.19614	98.6
253.19987	0.5
254.21204	1.6
273.42352	0.4
278.21234	0.4
286.56836	0.4
296.22226	100.0
297.22659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01863	0.6
56.96556	0.5
62.35029	0.4
67.05494	0.7
69.03419	1.1
69.07096	0.4
71.52177	0.5
71.70492	0.4
79.05471	0.5
81.07079	0.4
83.08620	0.4
84.04494	0.6
84.79549	0.4
86.09721	1.0
87.04443	0.4
88.00426	0.3
93.07095	0.6
95.04982	0.4
98.97582	0.4
107.04967	0.6
109.06499	0.5
113.53484	0.3
120.08079	0.7
121.10165	0.5
123.08044	0.6
127.03982	0.5
135.04433	1.1
135.08076	0.7
136.06218	0.5
137.05980	0.6
147.04431	0.6
153.01830	5.0
163.03963	0.9
164.45766	0.3
173.05936	0.4
191.03401	0.4
205.05019	0.5
225.52223	0.4
234.13081	0.4
251.07095	0.6
261.14706	0.7
269.08191	1.0
279.06528	0.5
280.11795	1.3
297.09460	100.0
298.09708	0.9
299.06290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9-Hode
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	2.4
55.05511	23.7
57.03425	2.5
57.07072	6.8
59.04980	1.6
65.03934	1.7
66.74094	1.2
67.05509	75.5
69.03419	1.8
69.07069	29.9
71.04990	12.7
71.08614	2.5
71.52240	1.4
71.52602	2.1
74.10262	1.4
77.75370	1.2
79.05499	23.9
81.07061	100.0
83.04978	3.9
83.08616	15.5
85.06548	8.2
85.10192	1.7
91.05488	13.5
93.07048	30.0
94.17435	1.2
95.04958	3.3
95.08611	86.0
97.06525	7.6
97.10164	9.8
99.08080	3.5
105.07024	12.0
107.08600	20.0
109.10155	39.0
111.04371	1.5
111.08082	4.2
111.11701	2.3
117.07010	3.4
119.08584	10.3
121.10146	15.2
121.40919	1.4
123.08092	3.0
123.11705	17.3
125.09631	3.6
125.78565	1.4
131.08572	6.9
133.06503	10.5
133.10120	9.0
135.11682	18.6
136.06172	3.1
137.09628	3.8
137.12355	1.5
137.13225	9.5
138.87491	1.4
139.11180	2.0
145.10124	5.0
147.11699	10.6
149.09743	3.2
149.13242	6.5
151.11176	3.4
151.14795	2.8
153.12767	1.9
159.11726	4.4
161.13251	11.4
163.14812	4.3
165.12737	5.4
168.05818	1.8
173.11888	1.6
173.13277	6.5
177.12794	2.4
177.16405	2.9
179.14331	4.9
181.12259	1.8
187.14801	3.7
196.05177	3.7
209.15317	3.0
211.07605	4.1
219.21135	1.7
219.24866	1.4
223.16850	3.4
224.04736	4.5
239.07066	15.0
243.21104	7.8
261.22165	24.3
267.06546	9.7
279.23184	72.0
297.07590	47.9
297.18616	1.9
297.24240	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
57.98365	0.2
61.01156	4.8
61.28441	0.2
69.03418	0.2
69.83177	1.0
72.56264	0.2
75.02718	2.1
91.27882	0.2
94.04097	0.3
97.02892	1.6
101.66325	0.2
103.02176	0.6
104.26691	0.2
119.03577	0.7
130.62157	0.2
136.06195	100.0
137.04622	0.2
137.06589	0.3
144.61575	0.2
145.03181	1.3
163.04300	1.3
195.33105	0.2
284.72876	0.2
298.09711	5.9
305.23706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
57.07076	0.7
61.04312	0.4
67.05496	0.9
70.06566	0.5
70.57635	0.4
71.05005	0.6
73.06503	0.4
76.51836	0.4
79.05502	0.7
80.05002	0.5
80.08418	0.4
81.07041	0.9
95.08600	0.8
96.04493	1.1
106.06537	0.7
107.04951	1.7
108.08097	0.8
109.05281	0.9
109.10194	0.4
110.06087	0.5
120.04477	1.4
121.02875	0.7
122.02429	0.4
122.52627	0.4
124.03955	1.1
130.04999	0.6
133.02876	0.9
134.06029	3.0
135.04410	1.2
136.03952	2.2
136.06161	4.3
136.07146	0.5
136.07597	0.5
137.04730	0.6
138.05482	1.4
145.02837	0.5
147.04362	1.2
148.03932	1.4
149.02321	2.2
150.05478	0.8
151.14749	0.6
152.07043	0.5
154.05002	4.0
160.03915	0.8
162.05513	8.7
163.03928	1.6
164.03435	0.7
165.04227	11.5
165.05356	0.4
166.04997	7.5
168.02969	1.5
172.03932	4.1
173.02322	1.4
178.04974	1.6
180.06548	6.5
182.04498	4.6
183.05275	22.0
188.03430	1.7
189.04088	1.3
190.04997	25.2
191.03340	0.8
192.06642	0.4
194.04468	0.7
196.06065	1.8
196.62216	0.4
202.05049	1.0
206.04503	4.2
207.05191	5.2
208.06061	100.0
218.97572	0.4
220.05983	2.1
220.09756	0.7
224.05537	1.0
226.07164	5.3
233.06842	0.7
234.11327	0.8
244.09677	1.7
252.12318	1.8
262.10742	21.1
280.11810	16.7
298.12854	11.2
298.20038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2013
Annotation	Heleurine
Peak:m/z	Relative Intensity
53.03937	0.6
54.09081	0.5
55.05498	2.4
56.05036	2.4
57.03426	0.9
61.01141	0.7
67.05495	2.4
68.05038	0.5
68.71602	0.6
69.07063	2.2
69.93774	1.7
70.06599	1.2
74.02412	1.0
74.06069	2.5
75.55729	0.5
79.05496	3.6
80.04997	1.0
81.07066	5.5
82.06583	1.3
83.04987	0.6
83.08626	1.6
84.04497	2.3
84.08137	1.3
85.02914	0.7
86.02436	1.2
86.06074	0.9
86.09693	1.2
88.03974	1.2
91.05463	1.4
93.07047	10.5
94.06544	2.5
95.08620	7.4
96.08116	1.1
97.06516	0.9
98.09692	0.7
102.05540	2.0
105.07017	1.7
107.08598	5.3
108.08123	8.1
109.10133	1.4
110.09682	2.1
111.08117	1.3
114.05544	1.1
116.07083	1.3
119.08563	1.0
120.08000	0.6
121.06487	1.3
121.10164	1.4
122.09680	4.7
123.04465	0.5
123.10451	1.0
123.11709	1.4
124.11204	0.8
125.05991	1.3
128.07040	1.2
130.05023	1.2
133.10118	0.8
135.11688	11.8
136.06198	8.2
136.07295	0.8
136.07552	0.6
136.11243	2.0
137.13251	1.5
138.05470	0.7
139.07544	2.3
147.04359	0.6
150.12776	6.2
151.13611	1.9
153.12752	0.9
154.08667	0.7
156.06497	0.8
156.10191	1.1
161.13324	0.6
163.11182	0.6
164.14363	6.6
166.15936	3.3
168.10219	1.6
180.10194	0.7
181.12230	1.3
182.08199	0.6
182.15482	0.9
192.13876	4.7
192.17534	2.7
200.12857	1.8
208.13373	1.0
208.17004	1.4
210.14914	28.4
212.16426	1.7
224.12862	1.0
234.11043	0.6
236.16486	1.0
252.12334	2.5
254.17529	100.0
256.19147	5.4
280.11758	9.0
290.59436	0.6
298.09940	5.9
298.20142	94.7
308.26486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03949	1.3
55.05520	11.8
56.05045	7.7
57.07066	4.1
58.02954	2.1
60.04507	3.3
65.14258	0.9
65.51259	0.9
67.05511	16.4
68.05019	2.5
68.61713	0.8
69.03436	2.3
69.07071	11.2
69.48345	6.6
71.08630	1.2
71.41514	0.9
79.05499	10.5
80.05033	1.7
81.07069	13.5
81.73653	0.8
82.06584	6.7
83.05004	1.2
83.08618	6.1
86.06062	1.8
91.05474	6.2
93.07050	6.4
94.06569	3.6
95.04955	1.6
95.08597	11.4
96.08112	1.7
97.10156	2.8
98.06020	1.6
100.07606	1.8
105.07027	3.9
107.08582	4.5
108.08095	1.1
109.06446	0.9
109.10175	4.3
119.08577	3.9
121.10199	4.5
123.11662	1.4
128.35696	1.0
133.10135	2.2
134.06783	1.0
135.08093	1.1
135.11697	2.0
136.06192	13.6
147.11639	1.0
173.28957	0.9
250.25346	7.3
262.25323	2.6
280.26373	100.0
298.27411	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05515	10.2
56.04790	0.6
56.05040	7.2
57.07077	6.0
57.45937	0.4
58.02964	2.6
58.37466	0.4
60.04531	5.0
61.01172	0.5
65.03930	1.1
67.05508	20.2
67.07933	0.5
68.05037	2.8
69.00284	0.5
69.07072	11.1
70.32500	0.5
70.64957	1.3
71.08636	4.2
72.04521	0.7
74.06077	0.7
79.05080	0.6
79.05500	10.5
80.04997	2.5
81.03384	0.7
81.05751	0.6
81.07059	16.9
82.06582	8.1
83.04990	1.2
83.08619	8.5
85.10185	0.9
86.06053	2.2
91.05474	6.4
93.07037	6.3
94.06566	3.0
95.04985	1.0
95.07327	0.9
95.08611	12.9
96.08131	1.5
97.06531	0.9
97.10160	4.5
98.06060	1.5
100.07613	1.6
100.09348	0.5
105.07011	3.6
106.70150	0.5
107.08607	3.7
108.08122	1.6
109.10162	5.3
111.11695	1.4
112.07610	0.6
119.08588	3.1
120.08119	0.6
121.10155	3.8
122.09681	1.4
123.08062	0.6
123.11688	1.9
133.10095	2.7
135.11687	2.0
136.06177	7.6
137.09511	0.6
137.13222	0.9
141.12718	0.7
147.11687	1.4
149.13239	1.0
155.14308	1.2
161.13257	1.3
175.14844	0.7
191.17825	0.8
245.22717	2.2
250.25310	7.8
251.63034	0.6
260.23849	0.7
262.25299	2.8
263.23730	2.2
280.26361	100.0
281.24475	1.0
298.27536	4.4
299.25781	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	299.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.07082	0.5
60.17638	0.4
67.05502	0.5
69.07076	0.9
70.28152	0.4
70.95872	1.9
71.08659	0.5
71.26020	0.6
77.22727	0.4
82.99880	0.8
83.04559	0.4
83.04975	2.4
83.08657	0.8
85.01421	1.2
88.96875	0.4
89.02448	0.4
93.03396	0.4
93.07077	0.4
97.42533	0.4
99.04495	0.5
99.85695	0.5
101.00877	4.2
103.02455	2.9
111.04439	1.8
113.05994	1.3
117.88087	0.4
119.01932	9.6
120.02023	0.9
121.03508	0.8
123.24146	0.4
125.04514	0.9
127.07574	0.8
129.94632	0.4
137.02965	1.7
139.06076	0.6
141.04015	1.0
143.05527	4.9
145.03473	5.2
147.05023	4.0
152.36827	0.4
153.03928	0.5
155.05707	0.6
155.07034	13.7
157.03490	0.6
157.07121	5.1
159.05032	1.0
161.06624	5.4
163.04538	7.4
165.06145	2.3
167.05621	0.6
169.03531	0.6
169.07115	3.5
171.05080	2.6
173.06580	1.1
175.08179	6.4
176.00188	0.4
177.00952	1.3
178.01102	1.2
180.00754	0.6
183.05121	0.5
183.08670	1.2
185.06607	8.2
187.04564	1.6
187.06525	0.3
187.08170	10.5
189.06099	13.3
191.94980	1.0
195.05074	1.4
201.06151	0.6
201.09772	2.1
203.02591	0.9
203.07741	3.2
204.02589	0.8
205.05573	1.2
207.07146	1.2
209.06668	0.5
209.96085	1.9
210.96036	0.6
211.04539	4.6
211.08131	0.7
213.06133	6.6
213.09709	4.8
219.02019	3.3
220.02148	1.5
221.01990	0.6
222.01930	1.5
229.05559	2.1
231.07158	2.9
231.10811	1.2
233.96123	1.3
237.06154	1.3
239.07634	1.5
244.02095	0.4
251.97133	2.6
252.96985	1.2
255.07176	3.5
255.10786	4.5
257.08682	5.5
261.03119	0.8
262.03101	2.9
271.03485	0.4
274.97125	1.3
275.04584	0.6
275.09747	0.6
275.97162	8.1
276.01733	0.6
276.04782	1.8
276.96933	1.0
283.03110	0.5
293.98221	3.5
294.98062	0.7
298.98126	1.3
299.09772	100.0
300.09973	1.1
316.98859	0.5
317.07568	0.8
317.10840	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	300.1232
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
53.03943	1.5
55.05510	5.8
57.07081	0.6
61.02927	0.7
62.06096	0.6
67.05499	0.8
68.05009	0.6
68.99775	1.5
69.03435	0.7
69.56085	3.0
70.06577	1.7
71.05019	0.6
72.04501	0.9
72.08173	0.6
77.03951	0.5
79.05485	1.8
80.04996	0.6
81.03407	1.2
81.07043	1.8
81.46034	0.5
82.06584	4.0
83.04980	2.4
83.08615	2.8
84.04510	0.8
84.08137	0.8
86.09702	0.8
87.32697	0.5
89.03914	3.9
91.05478	8.0
91.58109	1.0
93.07056	10.4
94.02902	0.7
95.04971	2.2
96.04526	0.8
96.43378	0.5
97.02940	0.6
100.07640	1.1
100.11263	7.8
101.06001	0.8
103.05476	7.2
105.04518	0.9
107.04968	2.2
107.08534	0.7
108.04469	1.4
110.02332	0.5
110.06026	5.0
111.00776	0.8
111.04451	2.9
117.03382	7.2
119.04966	3.3
121.06509	54.4
122.06084	0.7
126.09138	0.6
128.07085	2.2
135.04424	13.0
136.03905	2.5
136.06148	0.6
137.05989	1.7
138.05495	0.6
138.09138	5.4
140.07060	1.2
141.11478	5.8
141.12444	0.6
142.12274	1.3
145.02852	12.1
145.99760	0.5
147.04414	11.1
149.09668	0.6
150.09145	2.5
153.07845	1.4
154.04984	1.2
154.12241	0.9
155.11218	1.0
155.87093	0.5
161.06026	0.6
163.03909	100.0
164.07158	0.6
164.10782	0.5
179.05789	3.0
180.06573	4.4
182.15411	5.4
184.06143	0.6
191.07042	4.6
194.11749	4.1
199.18068	2.0
202.07098	2.4
204.66466	3.9
209.16493	1.3
210.14870	5.2
212.12758	3.4
217.04942	4.1
218.66217	11.6
219.16379	1.3
222.11253	7.9
225.15872	0.9
227.17532	1.8
228.16054	0.6
230.06595	2.8
240.12349	1.4
259.06036	6.0
268.19476	0.8
269.75891	0.5
282.13370	2.0
282.19366	5.9
300.11993	19.2
300.14468	37.7
301.03711	0.8
301.07083	3.7
309.21967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05510	12.6
57.03443	1.7
58.99581	6.1
65.03938	2.0
67.05508	75.1
69.03424	3.2
69.07063	9.1
69.08126	1.6
71.04996	3.0
72.08144	3.5
76.02236	9.7
77.19135	1.4
79.05501	11.2
81.07063	52.4
83.08614	4.5
86.99049	5.7
87.02678	2.8
91.05489	8.7
93.07063	17.5
95.04968	5.3
95.08611	100.0
97.06537	2.5
98.21644	3.1
105.00082	6.2
105.07023	8.4
107.08605	4.7
109.06519	5.3
109.10165	73.9
110.66810	1.5
117.06943	1.5
119.08593	13.5
121.10137	3.4
122.01842	3.0
122.02734	52.2
123.08061	6.3
133.10089	4.1
135.11734	4.3
137.09605	8.8
139.25906	1.8
151.14822	66.3
159.04770	2.9
161.13269	11.9
179.14325	65.9
202.08984	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	300.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05515	19.2
56.05022	1.4
56.96559	3.0
57.03423	5.4
57.07078	2.8
58.99586	4.6
60.08185	1.2
65.03938	1.9
67.05509	70.8
69.03436	7.2
69.07070	14.1
70.64342	4.0
71.04987	4.0
72.08156	3.1
76.02225	9.5
76.34853	1.2
79.05491	12.9
81.03422	3.2
81.07060	41.0
82.12576	1.4
83.04998	2.6
83.08624	5.4
85.01131	1.9
85.02912	3.0
86.00655	3.8
86.06056	5.1
86.99050	3.7
87.02699	2.3
88.04006	1.7
89.06010	1.5
91.05478	9.8
93.07048	16.8
95.05021	6.5
95.08614	100.0
97.06541	3.5
97.10177	2.6
98.97581	5.2
104.07097	1.4
104.10722	3.6
105.00094	5.6
105.07043	18.0
107.08614	10.4
108.08273	1.3
109.06527	4.1
109.10166	77.0
113.04277	1.7
116.98608	3.2
117.07054	3.0
119.08577	8.5
121.10162	8.0
122.01851	3.2
122.02737	61.4
123.08102	8.5
123.11774	1.5
129.01729	1.3
131.08549	1.7
132.01160	6.1
133.10141	3.5
135.11702	3.5
136.06206	2.0
137.09622	5.3
137.13237	1.7
147.53989	1.6
151.14822	74.7
153.12808	2.3
155.14314	5.2
159.04768	3.0
161.13309	7.6
176.07419	2.9
177.00620	1.7
179.14323	58.5
202.08971	4.4
219.01630	1.5
256.20605	23.5
271.06000	21.0
272.06366	5.2
279.03577	1.8
283.17346	1.5
300.16412	8.4
300.19818	2.0
300.22934	17.0
300.26123	2.2
301.03769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
67.05503	0.4
71.53069	0.4
81.07058	0.4
85.98540	0.2
86.09728	0.2
93.07015	0.4
95.08593	0.3
105.07057	0.3
107.08582	0.4
133.10100	0.3
161.06004	0.5
187.03885	0.4
189.05469	78.6
190.06010	0.2
213.05557	0.7
214.06291	1.0
215.07065	1.3
217.04959	100.0
218.05357	0.2
227.07005	0.3
241.04961	2.4
243.02895	5.1
245.04489	0.4
259.06021	19.3
273.03842	0.4
274.76071	0.3
283.05997	5.9
301.07068	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.092
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.03938	3.0
55.01902	0.9
57.03421	0.7
57.07073	0.9
57.96703	0.7
61.02911	1.3
64.74416	0.7
65.03947	1.0
69.03425	2.1
70.06586	4.7
71.06939	1.4
71.51422	1.0
71.51826	0.9
72.08144	2.4
76.10125	0.7
81.03432	1.1
81.07043	1.1
84.04491	0.7
84.08158	1.8
85.02908	9.6
86.09710	1.3
88.56987	0.7
95.04975	40.9
96.16814	0.8
97.02892	2.5
105.04507	1.1
109.02878	1.5
111.04493	0.8
112.07619	2.2
113.07943	1.7
116.07074	1.3
117.62670	0.9
121.02878	22.0
121.03855	1.2
123.04437	1.0
127.03934	1.8
139.03909	100.0
139.08679	3.3
140.07079	0.9
145.04984	2.8
171.08084	0.8
195.54950	0.8
199.08223	0.8
206.52054	0.7
217.99280	0.8
240.84122	0.9
258.05209	5.2
271.02893	0.9
286.04752	6.9
301.07138	20.8
301.12448	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	301.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73854	0.7
51.92458	0.7
53.03939	1.6
61.02909	0.9
67.05510	1.1
69.03423	2.4
70.06593	3.5
71.06913	1.1
71.51826	1.0
72.08156	1.4
72.62144	0.6
77.03928	0.8
81.03407	1.1
81.07068	1.8
84.04495	1.5
84.08128	1.7
85.02913	5.9
86.02575	0.7
86.09705	1.4
95.04978	20.3
97.02888	2.0
111.04530	0.8
112.07616	0.8
114.06463	0.7
116.07035	0.9
119.01878	0.7
120.69998	0.6
121.02877	12.1
121.07642	0.9
126.04529	0.7
127.03941	1.7
135.23204	0.8
139.03912	51.3
139.08684	2.8
140.07085	1.5
145.98792	0.7
151.03891	1.0
153.01843	1.1
163.03882	2.0
171.07664	2.2
203.03943	0.8
221.05020	5.1
258.05356	1.1
269.15103	0.9
285.69275	0.9
286.04678	1.5
301.03473	1.7
301.07016	3.9
301.12585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	9,13-Di-cis-retinoic acid
Peak:m/z	Relative Intensity
53.03953	2.7
53.21225	2.4
55.05508	9.2
57.03435	2.8
57.07066	8.1
65.78157	2.8
67.05515	19.9
69.03427	4.9
69.07055	11.6
69.16399	18.4
69.16806	7.3
70.06574	4.8
71.04990	6.7
71.08607	3.1
79.05486	10.4
81.07058	26.9
83.08604	3.9
85.06493	2.8
88.07650	6.7
91.05488	25.5
93.07040	26.0
95.04977	12.1
95.08617	20.3
97.06519	6.3
105.07022	42.1
106.08661	5.7
107.08603	35.0
109.06514	31.7
109.10158	29.7
111.08033	6.7
117.07052	13.7
119.08590	58.4
121.06493	9.0
121.10163	27.8
123.08034	7.6
123.11687	5.5
125.09628	2.6
128.06245	3.8
129.07008	8.5
130.07774	5.5
131.08580	48.2
133.10146	40.5
135.08051	21.9
135.11697	7.4
142.07808	3.0
143.08537	21.2
144.09314	7.3
144.30908	3.0
145.10136	45.6
146.07292	3.8
147.08063	3.6
147.11678	17.7
149.09569	4.3
149.13274	7.4
157.10114	11.4
158.10896	12.5
159.08018	5.2
159.10480	2.7
159.11641	14.0
161.09628	70.3
161.13237	4.8
163.11162	3.9
167.08641	3.6
169.10139	3.1
171.11700	9.1
173.11775	5.1
173.13272	100.0
175.11157	5.3
175.14806	12.6
179.08533	4.7
181.10057	4.0
183.11716	5.1
185.13245	8.0
187.14798	4.6
191.14314	25.4
199.14880	5.9
201.12688	5.2
201.16322	5.4
203.14243	3.2
209.13248	12.8
223.14720	4.5
227.14421	5.9
265.19507	5.3
275.71948	2.8
283.20502	7.9
283.28430	3.5
284.29391	3.3
286.04651	2.9
301.03348	4.8
301.06961	5.9
301.21619	11.9
302.30548	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
51.98487	2.1
53.03931	2.8
55.01876	2.6
55.05518	12.7
57.07074	11.7
59.04996	2.2
65.03938	3.9
66.47594	2.1
67.05508	21.8
69.03432	5.6
69.07074	13.1
70.05552	3.7
70.05949	4.8
70.06625	10.9
70.06915	2.2
71.04996	6.1
71.08632	3.2
72.26204	2.5
79.05502	14.9
81.07059	26.9
83.04987	2.7
83.08608	7.7
88.07656	14.3
91.05493	23.3
93.07047	27.0
95.04990	13.2
95.08612	23.9
97.06546	11.2
98.21436	3.4
102.09186	4.1
105.07043	43.0
106.08669	7.3
107.08604	41.9
109.06528	33.9
109.10149	27.3
111.08080	5.5
111.28078	2.5
115.05458	3.2
117.07042	9.0
119.08584	54.6
121.06513	11.4
121.10148	22.1
123.08093	7.7
123.11703	3.7
128.06239	6.2
129.07007	8.1
130.07791	6.3
131.08577	46.9
133.10150	34.4
134.73096	2.4
135.08055	24.5
135.11705	9.8
137.09557	3.6
142.07765	4.7
143.08598	17.2
144.09341	3.9
145.10118	50.0
146.07292	5.8
146.88031	2.7
147.08055	3.3
147.11688	13.0
149.13231	7.3
156.09288	3.5
157.10120	15.6
158.10898	14.1
159.08057	4.9
159.11703	10.7
161.09630	58.9
161.13202	3.4
163.11197	3.8
169.10149	3.5
171.11702	10.1
172.12561	2.4
173.09633	2.9
173.13277	92.8
175.11281	3.7
175.14839	9.7
179.08528	3.3
180.09467	2.6
181.10236	2.4
183.11760	4.8
185.09628	3.0
185.13277	8.3
187.11052	2.6
187.14766	5.4
189.12740	3.1
191.14333	25.4
193.16002	2.6
194.10895	3.6
195.11769	5.2
199.14842	7.4
201.12753	3.9
201.16315	3.8
209.13280	9.8
223.14789	7.9
227.14459	4.8
243.17720	2.5
247.98926	2.4
258.05273	9.1
265.19550	9.1
271.71368	2.5
283.20578	12.5
283.28223	4.3
284.29510	4.0
286.04831	13.5
301.03491	7.7
301.06995	38.6
301.21680	16.7
301.29459	2.8
302.30554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	1.5
61.02931	1.4
69.03432	5.1
70.06596	7.2
81.03468	1.4
81.04542	36.0
84.08159	1.7
85.02911	4.9
86.06060	1.4
86.07329	1.1
87.04475	1.5
88.27718	1.1
97.02895	2.6
101.00864	1.2
102.49240	1.1
106.42406	1.4
116.07057	2.1
122.06135	1.7
122.07153	26.9
124.07574	1.6
134.06035	4.9
140.07140	4.2
140.08188	100.0
146.46594	1.2
152.07101	9.1
164.07051	3.0
181.09743	1.4
183.35878	1.1
184.63524	1.3
186.06010	1.2
228.91353	1.2
255.84534	1.1
265.19702	1.2
273.09143	3.5
285.09097	2.2
302.02765	19.2
302.13504	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48856	1.0
53.03943	2.7
55.01875	1.9
55.05506	2.1
55.26464	1.1
57.03441	3.4
61.02928	5.7
67.05503	5.7
69.03438	15.1
70.06598	2.5
71.05004	1.6
72.08157	15.9
73.02930	2.5
79.05497	4.8
80.05064	1.5
80.32024	1.3
81.03419	8.2
81.07064	7.1
81.87372	1.3
84.04531	1.7
84.08161	2.9
85.02914	87.7
86.09711	24.6
87.04453	1.2
91.03953	2.0
94.06566	2.6
95.04981	4.1
96.04508	1.4
96.17663	1.1
97.02902	37.9
97.06522	2.0
99.04472	3.2
103.03973	7.3
108.08125	13.0
109.02889	13.5
110.06016	1.4
112.07581	2.4
118.08656	2.2
122.06080	7.9
125.06020	7.2
126.05527	6.9
126.09156	4.6
127.03934	19.3
129.10272	1.8
132.10193	1.6
136.07593	21.1
140.07082	50.1
143.11827	5.8
145.04977	18.4
150.08109	1.2
150.09132	6.3
152.07069	24.5
154.08704	7.2
157.13383	6.1
163.06064	3.3
164.07092	26.3
164.08423	2.2
171.11304	5.1
178.08656	18.2
182.08148	100.0
185.12813	8.6
189.12383	2.9
195.85806	1.2
202.08643	1.4
206.08141	43.0
218.08159	4.3
236.09224	4.6
248.09210	12.5
292.62405	1.4
303.04926	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03535	0.7
51.35450	0.7
53.03944	0.8
55.01869	0.9
56.05025	0.7
57.03425	2.4
61.02914	2.3
62.64054	0.7
65.03938	1.0
65.88770	0.7
67.05505	26.2
67.32024	0.8
69.03436	12.8
69.06728	1.1
69.07075	12.6
69.47121	1.6
69.47517	4.4
70.06596	2.2
71.04994	1.1
72.08158	7.3
73.02909	1.2
81.03418	4.0
84.04497	4.6
84.08151	9.4
85.02908	34.0
86.09706	6.2
88.03957	0.7
94.06583	0.8
95.04972	45.6
97.02896	32.5
97.03526	1.3
99.04442	2.1
103.03944	4.5
109.02891	7.3
110.06019	0.9
112.07613	33.7
113.05994	3.1
114.09155	3.7
119.31975	0.7
122.06054	2.0
123.04438	2.3
124.07571	2.1
127.03928	8.0
128.10704	1.4
129.10254	2.0
130.05008	3.5
135.22450	0.7
136.07568	2.5
140.07074	100.0
142.08673	0.9
144.10193	3.9
145.04944	3.6
147.07648	4.9
152.07077	2.6
154.01358	0.8
154.08650	4.4
161.09190	1.8
161.12846	3.7
164.07083	1.1
178.08694	2.2
181.09700	0.8
182.08138	56.0
198.12852	0.7
206.08131	13.6
218.08174	2.2
236.09081	1.8
243.56516	0.7
248.09207	8.0
302.12454	3.7
302.20825	3.2
303.05194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01861	1.2
56.05025	0.9
57.03424	2.4
59.79271	0.8
60.04533	0.9
61.02923	1.4
65.03947	1.9
67.05511	22.4
69.03434	12.6
69.07071	12.8
70.06599	4.7
70.41648	2.6
71.06908	0.9
72.08159	11.3
73.02917	1.8
81.03429	4.5
81.07049	1.1
84.04519	1.4
84.08148	14.0
85.02911	33.0
86.09711	7.2
87.68897	0.8
88.03994	1.1
94.06562	2.6
95.04972	39.6
97.02897	28.2
103.03923	2.7
105.05447	0.7
107.05019	0.7
109.02898	7.0
112.07614	32.4
113.06005	3.3
114.09188	4.5
114.70360	0.7
116.07040	0.9
122.06035	2.5
123.04474	1.9
124.07591	3.7
127.03927	6.4
128.10750	1.0
129.06595	0.8
129.10225	2.8
130.04987	1.7
130.06554	0.7
130.08539	0.9
134.06064	2.1
136.07573	2.7
140.07072	100.0
142.08669	1.4
144.10184	3.8
145.04964	3.0
151.03912	1.5
152.07045	5.2
154.08658	6.4
161.09166	1.2
161.12886	3.6
163.03922	1.5
164.07076	2.9
178.08612	2.3
182.08136	49.1
206.05264	1.0
206.08133	12.2
218.08133	1.6
236.09271	1.9
248.09132	6.9
266.10315	1.1
273.09018	3.0
284.11368	0.9
285.09000	1.6
302.12454	4.8
302.20804	5.4
303.04941	3.6
303.08267	1.3
313.18686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1502
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.00937	0.4
53.44557	0.4
55.01873	1.4
55.05515	0.6
56.83630	0.4
56.96560	0.6
67.05499	0.8
68.05043	0.7
69.07080	1.1
69.12679	0.5
69.18283	4.9
70.06596	36.7
71.04932	0.5
72.08158	0.9
79.05531	0.4
81.07047	1.0
84.04503	1.2
84.08134	1.5
85.02946	0.7
86.09705	3.8
90.41891	0.4
91.05489	0.6
98.97558	0.6
114.05534	23.9
115.05466	3.5
116.07098	18.0
116.07939	0.6
116.10729	0.5
117.05750	3.5
118.06539	0.9
123.04398	0.6
125.07108	5.0
125.07984	0.6
129.10271	0.8
130.06534	17.3
130.07515	0.9
132.08096	45.4
134.05983	0.8
135.04393	0.7
142.06520	8.2
143.04919	0.6
144.08084	15.4
147.04492	0.9
152.07068	1.9
159.09184	100.0
160.07591	3.8
161.05960	1.0
163.03989	0.7
164.07181	0.6
170.06023	24.3
171.07678	5.0
172.07578	4.0
188.07082	1.0
193.05034	1.4
206.03401	1.7
215.03911	0.6
239.11809	1.0
243.11372	0.6
257.12857	3.7
273.09122	1.0
285.12347	60.4
302.07504	0.7
302.11966	0.7
302.15015	11.1
302.21927	1.0
302.26917	1.0
302.30038	0.6
303.05008	3.0
303.08249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81434	0.2
71.51026	0.3
72.98042	0.2
78.38228	0.2
94.45370	0.3
101.00889	2.5
101.15394	0.2
105.17822	0.2
119.01921	5.0
120.01971	0.3
137.02939	0.7
140.98761	0.4
142.03429	0.3
158.99930	1.5
160.04440	0.2
177.00963	9.7
178.01091	1.4
179.00735	0.6
182.99915	0.8
201.00955	2.8
217.04108	1.9
218.03755	0.4
219.02026	17.5
220.02100	2.2
221.01862	0.9
225.00905	2.3
226.01076	0.3
234.00616	0.3
243.01996	11.4
244.02139	1.3
256.96729	0.6
261.03067	100.0
262.03201	12.1
263.03183	0.9
266.03659	0.4
279.00861	0.3
279.98129	0.4
283.00061	0.7
284.04605	2.6
284.99881	2.9
285.04709	0.7
301.00989	0.6
303.00833	3.1
303.05112	3.8
320.97311	0.3
321.08340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01686	0.1
53.03942	0.1
55.01860	0.3
57.33775	0.1
60.28988	0.1
65.03936	0.4
65.82919	0.1
67.01862	0.3
67.05488	0.2
68.99445	0.1
68.99792	1.7
69.03424	0.1
69.51170	0.4
71.01368	0.1
81.03419	0.4
88.97500	0.1
91.05476	0.1
93.03419	0.5
95.04980	0.6
97.02899	0.1
105.03378	0.2
105.07018	0.1
107.01312	0.1
107.04954	0.1
109.02888	1.0
110.03712	0.1
110.18771	0.1
111.00801	1.6
111.04452	0.1
115.05460	0.1
117.07066	0.4
118.72461	0.1
119.04968	0.1
121.02879	1.8
121.03741	0.2
123.04408	0.6
127.03912	0.3
129.07086	0.1
131.04921	0.3
133.02838	0.1
133.06493	0.1
135.04413	0.6
137.02348	6.5
139.05461	0.1
143.04868	0.1
145.02817	0.2
145.06483	0.4
147.04433	0.2
149.02348	0.8
151.04019	0.1
153.01828	8.9
155.04903	0.8
155.06042	0.1
157.06525	0.1
159.04410	0.3
159.47574	0.1
161.06013	0.6
163.03925	1.1
165.01839	3.5
166.02618	0.5
173.02350	0.1
173.06009	1.1
177.01874	0.2
177.05499	0.2
179.03403	0.3
183.02884	1.2
183.04436	1.0
184.05240	0.1
187.03938	0.8
189.05536	0.1
191.03424	0.3
191.07013	0.2
193.04948	0.1
195.02885	0.4
201.05473	4.1
205.04982	0.5
207.02887	0.2
211.03839	0.4
213.05522	0.1
215.03372	0.2
217.04906	0.1
219.02873	0.3
219.06548	0.5
228.04265	0.5
229.04970	8.2
231.02869	0.1
232.03777	0.1
233.04590	0.1
239.03514	0.4
245.04549	0.2
246.05260	0.2
247.06020	1.2
257.04456	4.7
258.05127	0.1
274.04724	1.2
275.05496	0.3
285.03928	2.3
286.04773	0.1
302.04239	0.1
303.04987	100.0
304.05267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.49334	0.1
53.03941	0.1
55.01863	0.3
65.03941	0.5
67.01857	0.3
67.05496	0.2
68.99440	0.1
68.99789	1.6
69.03429	0.1
70.92661	0.2
71.01349	0.1
74.40953	0.1
81.03426	0.5
93.03418	0.6
95.01324	0.1
95.04967	0.8
97.02939	0.1
103.05477	0.1
105.03416	0.2
107.01349	0.1
107.04936	0.2
109.02876	1.2
110.03675	0.2
111.00806	1.9
111.04460	0.1
115.05402	0.1
117.07025	0.3
119.93295	0.1
121.02865	2.0
123.04430	0.7
127.03920	0.4
129.07054	0.1
131.04918	0.3
133.02852	0.1
133.06519	0.1
135.03549	0.1
135.04391	0.4
137.02348	6.7
137.03412	0.5
137.64044	0.1
143.04941	0.1
145.02875	0.2
145.06474	0.5
147.04381	0.1
149.02359	0.7
149.06003	0.1
153.01828	8.9
155.04922	0.9
155.06059	0.1
157.06509	0.2
159.04417	0.2
161.05978	0.7
163.03918	1.0
165.01840	3.7
166.02664	0.4
167.03352	0.1
171.02951	0.1
173.02437	0.1
173.05972	1.2
177.01831	0.2
177.05476	0.3
179.03427	0.4
183.02888	1.4
183.04443	0.8
185.06023	0.1
187.03906	1.0
191.03409	0.3
191.07034	0.2
194.02066	0.1
195.02908	0.5
198.22188	0.1
201.05476	3.6
203.03386	0.1
205.04959	0.4
207.02904	0.2
211.03859	0.4
213.05414	0.2
215.03445	0.2
217.05020	0.1
219.02901	0.3
219.06546	0.5
228.04178	0.5
229.04961	8.7
230.05275	0.1
232.03687	0.2
233.04396	0.2
234.06241	0.1
239.03532	0.4
245.04463	0.2
246.05322	0.2
247.06033	1.0
257.04440	4.9
258.05362	0.1
274.04712	1.3
275.05429	0.4
285.03949	2.3
286.04675	0.1
303.04984	100.0
304.05319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
53.03899	0.2
55.01814	0.7
57.03395	0.2
61.90327	0.2
65.03883	0.3
67.01825	0.3
67.05434	0.7
67.05759	0.2
68.99788	1.6
69.03374	0.4
69.07018	0.3
69.56372	0.6
69.56793	0.7
70.06541	0.3
72.08121	0.2
77.44331	0.2
79.05429	0.7
79.44656	0.2
79.46098	0.2
81.03376	0.3
81.06991	0.6
84.04462	0.4
84.08115	0.3
85.02866	0.4
86.09719	1.5
87.09978	0.7
91.05418	0.7
93.06997	0.4
94.06523	0.2
95.04907	0.6
95.08534	0.6
97.02840	0.4
103.05413	0.3
105.03332	0.5
105.06982	0.2
107.04955	1.4
109.02799	0.4
109.10030	0.2
110.07082	0.4
111.00772	0.4
111.04375	0.5
113.02346	0.2
115.05385	0.2
117.07024	0.9
119.04851	0.6
120.08027	0.3
121.02876	4.1
123.00734	0.5
123.04440	2.9
124.07513	0.3
125.02345	0.5
127.03867	0.2
129.10205	0.3
130.05008	0.3
131.04854	0.6
133.02763	0.5
135.04372	0.6
137.02335	1.1
137.05928	0.4
139.03909	1.6
141.01759	0.2
143.04854	0.3
143.11783	0.3
145.06496	1.1
147.04399	1.6
149.02245	0.5
149.05940	0.2
151.03925	4.3
153.00783	0.3
153.01843	3.9
155.04857	1.2
155.05986	0.4
158.05956	0.2
159.04385	0.5
161.06017	0.9
162.05505	0.6
163.03850	0.6
165.01791	0.4
165.05417	0.6
169.01337	7.3
171.02873	0.4
173.06023	1.6
177.01717	0.3
177.05473	0.3
179.03340	0.5
181.01376	1.0
181.04860	0.4
183.02892	0.4
183.04372	1.0
187.03925	0.9
191.03337	0.6
193.04889	0.9
196.05092	0.2
197.09657	0.3
200.04675	0.2
201.05487	8.7
203.03360	0.6
204.06523	0.2
211.03879	0.5
219.06517	0.4
228.04144	0.6
229.04982	6.2
239.03386	1.5
243.02898	0.5
243.11237	0.2
247.05969	0.5
255.02971	1.0
257.04480	3.2
257.07318	0.3
257.08200	0.2
268.03693	0.7
274.04843	0.9
275.05466	0.4
285.03961	88.4
286.04324	1.0
303.05026	100.0
303.08191	3.4
304.05396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
59.88411	0.1
65.03945	0.5
67.01855	0.3
67.05499	0.2
68.99445	0.2
68.99792	1.8
69.03404	0.2
69.49360	0.1
70.76949	0.2
71.01333	0.1
73.43977	0.1
75.39594	0.1
75.68660	0.1
81.03426	0.6
91.05505	0.1
93.03408	0.7
95.04973	0.8
105.03407	0.2
107.04951	0.2
109.02893	0.9
110.03662	0.2
111.00799	1.9
111.04343	0.1
115.05462	0.1
117.07003	0.3
119.04942	0.1
121.02869	2.2
121.06538	0.1
123.04465	0.6
127.03924	0.5
128.06128	0.1
131.04912	0.3
133.02858	0.2
133.06436	0.2
135.04381	0.6
137.02345	7.0
137.03403	0.4
145.02864	0.2
145.06493	0.5
147.04453	0.1
149.02336	0.6
151.03905	0.2
153.01833	10.4
155.04930	0.8
155.06061	0.1
157.06479	0.1
159.04391	0.3
161.05989	0.6
163.03918	1.1
165.01843	3.6
166.02611	0.5
171.02977	0.1
171.04347	0.1
173.02353	0.1
173.05983	1.3
177.01874	0.2
177.05460	0.2
179.03400	0.4
183.02885	1.4
183.04434	1.1
185.06000	0.1
187.03932	0.9
191.03398	0.3
191.07047	0.2
195.02870	0.3
200.04814	0.1
201.05472	4.0
203.03490	0.1
205.04968	0.4
207.02815	0.2
211.03934	0.3
213.05508	0.3
215.03267	0.2
219.02902	0.3
219.06500	0.6
221.04584	0.1
221.97748	0.1
228.04175	0.6
229.04962	9.0
230.05374	0.1
232.03645	0.1
233.04597	0.1
239.03473	0.4
243.02937	0.1
245.04597	0.1
246.05341	0.2
247.06021	1.1
257.04440	5.1
274.04749	1.3
275.05502	0.4
285.03955	2.3
286.04684	0.1
303.04990	100.0
304.05371	1.0
306.53137	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01870	0.1
59.43087	0.1
65.03925	0.4
67.01836	0.1
67.05503	0.2
68.99789	1.0
69.03390	0.1
69.37467	0.8
75.35631	0.1
78.60613	0.1
81.03399	0.5
90.82601	0.1
93.03391	0.5
95.04951	0.5
98.93852	0.1
105.03375	0.2
109.02862	0.7
111.00806	1.5
115.05457	0.2
117.06995	0.2
121.02868	1.5
123.04415	0.4
127.03896	0.3
131.04948	0.2
135.04427	0.4
137.02350	4.9
137.03403	0.2
145.02846	0.1
145.06508	0.4
149.02365	0.6
153.01833	6.6
155.04912	0.5
156.11609	0.1
159.04388	0.1
161.05977	0.4
163.03935	0.7
165.01845	3.2
166.02612	0.4
173.06018	0.8
177.05450	0.2
179.03329	0.1
183.02899	1.2
183.04427	0.6
187.03946	0.5
191.03418	0.3
195.02870	0.3
201.05489	2.9
205.04922	0.3
207.02966	0.2
213.05598	0.2
215.03487	0.2
219.03001	0.2
219.06555	0.4
228.04161	0.4
229.04971	6.7
239.03529	0.3
247.06015	1.1
257.04462	3.9
274.04776	1.1
275.05414	0.3
285.03922	1.7
303.04993	100.0
304.05392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01866	0.3
57.30207	0.1
62.02706	0.1
65.03925	0.4
67.01854	0.4
67.05481	0.2
68.99438	0.2
68.99786	1.8
69.03427	0.1
69.40790	0.7
73.35870	0.1
75.21883	0.1
81.03410	0.6
93.03415	0.6
95.04964	0.6
97.02866	0.2
105.03394	0.1
105.06995	0.1
107.01318	0.1
107.04942	0.2
109.02882	0.9
110.03658	0.2
111.00793	1.7
111.04399	0.1
115.05461	0.1
117.07058	0.3
121.02874	2.0
123.04442	0.7
127.03908	0.3
129.06999	0.1
131.04932	0.4
133.02840	0.1
133.06448	0.2
135.04384	0.3
137.02342	6.2
137.03407	0.5
137.05833	0.1
139.96811	0.1
145.02840	0.2
145.06438	0.6
149.02324	0.7
153.01825	8.5
155.03812	0.2
155.04936	0.8
155.06108	0.2
157.06535	0.1
159.04422	0.2
161.05989	0.5
163.03893	1.0
165.01826	3.4
166.02686	0.5
171.04350	0.1
173.05980	1.2
176.49860	0.1
177.01746	0.2
177.05482	0.2
179.03432	0.4
183.02876	1.1
183.04439	1.0
187.03876	0.7
191.03365	0.3
191.06958	0.3
195.02893	0.4
201.05469	4.1
205.04936	0.3
207.02899	0.2
211.03932	0.5
213.05499	0.2
215.03316	0.2
217.05069	0.1
219.02908	0.1
219.06503	0.5
228.04170	0.6
229.04964	8.5
232.03740	0.2
233.04372	0.1
239.03418	0.4
245.04453	0.2
246.05354	0.1
247.06029	1.3
257.04456	4.6
274.04758	1.2
275.05569	0.3
285.03937	2.2
286.04681	0.2
303.04980	100.0
304.05319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01867	0.3
65.03931	0.5
67.01884	0.2
67.05495	0.5
68.99789	1.8
69.03425	0.4
69.07063	0.3
70.21690	0.7
71.81551	0.2
81.03426	0.5
81.07064	0.5
86.09731	0.2
91.05483	0.2
93.03399	0.6
93.07037	0.4
95.04966	0.9
97.14436	0.1
105.03427	0.2
105.07024	0.5
107.08566	0.3
109.02867	1.1
109.10130	0.2
111.00803	1.7
111.04433	0.2
115.05447	0.2
117.07008	0.3
119.04972	0.2
120.04481	0.2
120.08111	0.6
121.02851	1.8
121.10100	0.2
123.04424	0.8
127.03937	0.3
129.10313	0.2
131.04991	0.4
133.06421	0.2
133.10123	0.3
135.04375	0.4
137.02348	6.8
137.03419	0.7
137.05960	0.4
138.05510	1.2
138.09146	0.6
145.02815	0.4
145.06526	0.4
147.11720	0.3
149.02357	0.7
151.03926	0.3
153.01834	9.6
155.04929	1.0
156.08401	0.2
157.06578	0.2
159.04413	0.3
161.05980	0.6
163.03944	1.2
163.41713	0.2
165.01843	3.6
166.02637	0.6
166.04993	2.0
173.02391	0.2
173.05962	1.3
177.05533	0.2
178.04985	0.2
179.03362	0.5
183.02899	1.3
183.04462	0.6
187.03911	1.2
191.03362	0.3
195.02867	0.2
201.05473	3.5
201.07227	0.3
205.04965	0.5
211.03926	0.5
213.05469	0.2
215.03281	0.2
219.06535	0.4
228.04182	0.5
229.04971	8.2
239.03542	0.2
242.11890	0.2
247.05975	0.9
257.04468	4.3
257.12805	0.8
267.11316	0.2
272.11642	0.6
274.04739	1.5
274.09491	0.4
275.05322	0.4
275.13895	0.4
285.03946	2.4
285.12277	1.1
286.04767	0.2
303.05002	100.0
303.12982	5.0
303.22778	0.8
304.05353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45196	16.4
70.45544	6.8
81.04529	9.1
82.04847	6.4
85.02868	8.3
94.93008	8.4
98.20850	6.7
117.82878	4.6
123.04401	7.7
123.05548	10.4
140.08165	19.3
141.06624	42.2
141.08478	16.7
141.28691	5.2
168.87666	5.8
173.05859	5.6
181.85381	5.1
187.05571	5.1
194.89503	6.2
199.17992	5.1
239.61200	5.9
256.62164	5.8
303.04910	14.7
303.08398	100.0
303.13770	34.4
306.46573	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	303.0862
Annotation	Cynandione A
Peak:m/z	Relative Intensity
55.01867	0.7
55.05481	0.3
56.90412	0.3
61.63888	0.3
65.03931	0.5
65.34711	0.2
67.01836	0.3
67.05505	0.6
68.99795	2.2
81.03410	0.4
85.02905	0.7
91.05471	0.4
93.03387	0.5
93.07034	0.5
95.04945	1.0
95.08621	0.5
98.21548	0.5
107.08563	0.3
109.02877	0.8
109.10129	0.4
111.00795	2.0
115.05450	0.3
117.07011	0.4
121.02873	2.1
121.10123	0.4
123.04465	0.8
123.11695	0.3
127.03935	0.4
129.06958	0.3
131.04907	0.8
131.08615	0.3
133.06433	0.4
135.04379	0.5
135.11674	0.4
137.02362	6.4
137.03406	0.6
137.05951	0.8
141.07042	0.2
145.06471	0.9
145.10117	0.4
149.02315	0.7
151.03926	1.3
153.01833	9.1
155.04880	0.9
155.08502	0.4
157.06410	0.3
159.08067	0.4
161.06004	1.1
161.09723	0.3
163.03839	1.4
165.01845	3.4
166.02602	0.5
171.04326	0.3
171.08076	0.3
172.05042	0.4
173.06015	3.0
176.04695	0.3
177.05527	0.6
179.03371	0.5
183.02866	1.3
183.04424	0.9
183.08051	0.6
184.05240	0.3
186.06734	1.5
187.03876	1.0
187.07541	0.7
189.05435	0.8
190.06291	1.3
191.03363	0.3
191.07037	1.5
195.02940	0.4
197.06041	0.9
198.06859	0.4
200.04662	0.8
201.05467	4.5
201.09142	1.0
205.04979	0.5
205.08592	0.3
211.03906	0.4
211.07565	1.4
213.05508	0.3
214.06250	2.3
215.07033	1.8
217.04964	1.2
218.05771	0.3
219.06525	6.2
225.05463	1.0
227.07010	0.4
228.04207	0.8
229.05002	8.4
229.08516	4.2
233.08072	3.4
239.07108	0.8
241.05002	0.5
242.05756	3.0
243.06512	1.4
245.04457	3.0
246.05347	0.7
247.06047	1.0
255.06512	1.2
257.04449	4.5
257.08075	9.8
260.06845	2.3
261.07596	19.2
271.09558	0.3
274.04776	1.4
285.04047	2.4
285.07562	32.4
303.04965	100.0
303.08597	34.2
304.05258	1.2
304.08746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61620	1.0
55.01870	4.6
55.05518	25.1
57.03439	1.8
57.07079	2.5
58.07870	1.1
67.05511	10.5
68.99825	2.2
69.07085	6.8
69.74220	7.3
70.06577	1.1
71.08634	1.9
79.05506	12.4
81.07059	9.7
82.08375	1.1
83.04993	2.4
83.08623	11.6
91.05503	7.7
93.07047	7.3
95.08614	3.9
97.10180	24.8
100.31192	1.2
105.07065	2.3
107.08598	15.1
109.06534	1.1
109.10188	4.1
111.08109	1.3
115.05461	7.4
117.07029	37.3
119.08580	9.6
121.02896	1.9
121.10203	1.3
123.08116	1.3
125.09652	23.0
128.06252	2.4
129.07037	3.9
131.08591	4.1
135.08064	8.9
136.93121	1.8
137.02370	7.4
137.03313	1.2
143.08638	5.5
145.06508	37.3
145.07658	2.0
145.10164	3.3
147.08047	1.3
153.01860	11.3
153.09131	5.1
154.94150	3.2
155.08633	1.5
157.10139	6.8
157.12227	2.0
159.08057	2.0
159.11758	1.9
161.09692	1.5
163.03946	2.2
165.01910	4.0
169.10085	2.6
171.11554	1.3
173.06049	1.4
183.11725	2.0
201.05515	3.5
203.12764	17.0
225.16451	5.4
228.97951	1.9
229.05002	10.3
241.23657	8.7
243.17563	4.0
246.99208	1.4
247.06142	1.4
253.15916	5.0
257.04431	4.8
271.16956	62.4
285.04074	2.0
303.05026	100.0
303.19696	14.4
303.27625	1.5
303.30771	8.1
304.05338	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	304.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	12.0
57.03404	0.9
58.06601	1.6
69.77408	2.5
69.77841	2.6
70.06591	3.6
72.08153	2.1
74.06086	47.7
79.27447	1.0
84.04511	75.1
84.08144	1.7
85.02906	1.4
85.07639	0.8
86.06074	2.4
86.09708	17.5
88.07727	0.8
88.11285	6.5
98.06069	2.5
100.03959	1.7
101.07144	7.4
102.05521	2.4
104.07097	2.6
112.03944	1.1
114.05543	7.1
116.07091	15.7
119.01849	1.0
123.04472	1.0
124.07594	3.8
126.05502	9.3
127.03925	2.1
129.06606	1.6
129.87875	0.9
130.04988	1.0
139.03873	1.2
141.10214	2.0
141.98262	0.8
142.08650	2.4
142.09743	0.9
143.08160	2.2
143.11827	6.8
144.06570	100.0
151.03947	1.1
156.97557	0.8
157.13356	4.4
161.09227	81.6
171.11304	1.3
173.94742	0.8
181.04948	0.9
185.09213	13.6
185.12860	2.4
254.11403	1.9
257.04422	1.0
286.14032	10.5
286.17300	1.4
295.29138	0.9
304.05243	3.2
304.09155	1.8
304.15308	3.7
305.06372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	11.1
58.06606	100.0
60.04524	1.3
68.05024	2.9
68.79550	1.2
69.03433	3.1
69.07082	1.8
70.06597	11.7
71.93027	1.2
72.08160	13.0
74.06091	23.1
74.45830	1.1
81.03410	2.1
82.06565	2.2
84.04514	59.8
84.08161	3.0
85.02914	5.3
85.07671	2.5
86.06074	10.1
86.09722	10.1
88.04013	2.0
90.05576	2.2
96.08164	1.3
97.02908	3.3
98.06078	1.5
99.04457	1.4
100.03991	2.4
101.07171	1.6
102.05550	21.4
104.07117	72.2
106.15845	1.4
107.04953	4.9
110.06055	6.4
110.07187	1.5
110.26535	1.1
114.05537	18.6
116.07098	5.5
118.08683	3.7
123.04445	4.4
123.09205	2.2
124.07617	6.6
124.08620	1.4
126.05533	1.4
127.03907	14.8
128.07076	3.6
129.06606	2.0
129.10242	4.2
129.41534	1.3
130.05011	5.7
135.55922	1.3
139.03938	4.3
141.01196	2.0
141.04831	1.9
141.10243	3.3
142.08624	3.9
142.09721	1.9
142.38969	1.5
143.03403	1.6
143.11819	6.3
144.06598	13.4
147.04411	1.8
151.03867	6.3
155.08170	24.0
157.00343	1.4
157.09761	4.3
161.09279	13.8
169.09705	2.7
170.08157	1.5
171.11305	3.2
173.09248	13.8
175.10771	33.1
179.03419	5.7
183.07655	12.0
185.09227	43.2
186.07663	3.8
191.10298	3.5
197.09244	2.0
201.08725	8.7
215.04892	2.6
215.10295	17.1
226.11757	1.7
236.15251	1.4
237.96651	1.5
240.13475	3.9
241.11844	1.6
263.06137	1.4
268.12909	2.9
281.07318	4.4
286.14001	32.8
287.05518	1.9
304.05582	6.5
304.15140	13.6
305.06653	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21636	8.2
67.51842	6.3
70.06597	9.5
71.37448	11.6
81.04551	12.4
83.65025	7.5
94.93003	49.0
95.06142	9.4
102.05530	7.6
114.05540	29.8
117.51752	6.9
125.07113	16.5
143.08150	66.3
185.09227	15.0
186.07634	20.2
186.09631	24.1
204.87030	33.5
251.06122	9.9
287.14560	13.2
292.03345	6.9
305.02756	100.0
305.06021	15.5
305.14151	11.3
325.72449	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	305.0656
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03929	0.4
55.01871	1.4
55.05505	0.5
55.92311	0.2
56.96555	0.3
62.91498	0.2
65.03943	1.8
67.01867	2.2
67.05502	2.2
68.99784	3.9
69.03418	0.9
69.07059	0.9
69.61655	1.7
69.73463	0.3
73.03316	0.2
76.22599	0.2
77.03918	0.7
79.05495	0.6
81.03393	0.3
81.07053	1.0
83.01340	0.3
83.08619	0.3
89.03912	0.6
91.05466	0.7
93.03394	1.1
93.07063	1.6
93.48174	0.3
95.01290	0.2
95.04965	3.6
95.08606	1.2
97.02895	0.9
97.10184	0.4
102.73492	0.2
105.03378	1.6
105.04502	0.4
105.07024	0.8
107.04952	0.7
107.08591	1.9
107.36034	0.3
109.02905	0.4
109.10164	0.4
110.03643	0.4
111.00815	0.8
111.04447	4.3
115.05442	0.4
117.03371	0.3
117.07032	0.4
119.08522	0.5
121.02876	8.7
121.10168	0.9
123.04432	62.8
123.11707	0.5
125.02355	0.6
127.03915	4.5
128.06233	0.7
129.07005	1.5
133.02856	3.5
133.06494	0.4
133.10133	0.5
135.04446	2.7
135.11726	0.3
137.02325	1.3
139.03902	5.0
139.05431	0.4
141.06973	0.6
145.06531	0.5
147.04376	1.8
147.08090	0.3
147.11700	0.3
149.02347	60.1
149.13257	1.5
149.38365	0.3
150.03168	1.7
151.03923	3.4
153.01831	100.0
154.02501	0.6
157.06499	3.8
160.05154	0.5
161.02344	6.3
161.05989	0.7
163.03926	0.9
163.07529	0.3
165.01810	0.5
167.03423	10.9
167.04889	0.8
169.06435	0.3
171.02907	2.7
171.04306	0.5
175.03923	0.8
175.07578	1.5
177.05475	0.4
179.03418	4.3
181.82399	0.2
185.05981	7.5
189.05545	0.7
195.02907	15.8
197.06001	0.5
199.03975	0.4
201.05637	0.2
203.03391	1.9
203.07057	0.8
213.05476	11.9
217.04971	0.7
217.21339	0.2
231.06528	43.6
232.06949	0.4
241.04956	5.8
242.30458	0.3
245.04382	0.9
258.05267	2.0
259.06024	54.1
269.04480	1.0
273.03903	0.4
287.05508	18.4
305.06497	15.5
305.19427	0.4
305.24744	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.21171	0.4
52.58064	0.4
54.64268	0.4
55.01869	0.7
55.05505	0.5
61.09660	0.4
62.53249	0.4
65.03927	0.7
67.01866	0.5
67.05505	0.8
68.99785	3.2
69.03423	1.0
70.06582	0.6
70.09411	1.8
72.08150	0.6
76.51088	0.4
79.05499	0.4
81.03439	2.1
82.70979	0.5
84.04544	0.4
85.02937	0.8
86.09743	0.6
91.05494	1.2
95.04987	0.6
99.04482	0.9
103.12445	0.5
105.03393	1.1
109.02861	4.9
110.69714	0.4
111.00822	3.4
111.04465	0.6
119.04929	1.7
121.02874	0.9
123.04436	12.3
127.03920	100.0
133.02788	2.1
137.02345	1.3
139.02821	0.6
139.03909	12.5
143.03421	0.4
143.10704	0.9
147.04408	10.5
149.02385	1.5
151.03903	28.0
153.01863	2.0
155.03384	4.5
157.06535	0.6
159.04425	0.7
165.05559	1.0
167.03339	0.5
171.04439	0.6
173.05969	0.6
175.03920	9.2
177.05478	1.7
179.03403	38.4
181.01241	0.5
185.05992	1.2
189.05441	0.6
193.04953	1.2
197.62083	0.5
199.03853	1.2
201.05423	0.8
203.03412	7.3
208.15462	0.5
213.05446	2.5
217.04987	1.6
219.06438	0.6
221.04607	0.8
231.06508	1.5
241.05022	1.8
245.04489	1.2
259.05981	3.6
261.12421	2.1
263.05530	0.6
263.98587	0.4
269.04453	0.5
275.05453	0.5
277.07108	1.1
278.70328	0.5
287.05502	13.5
305.06549	33.6
316.18845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.01891	0.5
55.05521	0.6
56.96589	0.5
67.05502	3.2
68.99788	0.8
69.03428	0.7
69.07079	1.0
70.87579	0.7
73.92441	0.4
77.03969	0.7
79.05501	1.8
81.07069	3.3
84.04510	0.6
84.08173	0.7
85.02927	0.7
86.09717	1.2
89.41594	0.4
91.05495	3.8
91.23372	0.4
93.07049	4.0
94.06589	1.5
95.04989	1.6
95.08627	1.6
96.08150	0.8
102.05556	0.6
105.07054	0.7
107.08617	1.5
108.04520	0.5
108.08130	2.0
109.10170	2.4
118.06566	0.5
119.04919	0.7
119.08566	1.1
121.02914	0.9
121.10136	0.9
122.06052	6.1
124.07606	10.8
125.09628	0.6
125.98934	0.4
126.05522	0.5
127.03947	0.8
130.05026	3.0
133.10144	0.9
135.08086	0.7
136.07590	100.0
137.02362	1.0
138.09149	1.5
140.07080	1.0
147.04422	1.1
147.11702	0.5
149.02370	1.1
150.05580	1.1
152.07082	21.0
153.01823	1.9
154.02203	0.6
155.02299	0.9
155.10664	0.6
163.03891	1.0
163.08665	0.5
164.07083	87.0
165.07408	0.5
166.08655	0.9
170.08165	5.1
173.11804	2.3
176.14348	7.8
177.12790	0.6
182.08145	18.7
184.09775	0.4
186.09438	0.4
200.10770	3.6
202.11002	0.9
203.06102	0.5
214.12259	1.0
217.13397	3.1
228.10162	0.8
229.04929	0.6
229.09792	0.5
231.05542	1.9
240.86922	0.4
241.04863	0.5
241.13588	0.4
242.11646	2.1
245.10538	0.9
245.12881	12.4
259.05118	1.4
259.14410	0.7
269.04410	1.3
276.05386	0.4
287.05139	1.0
287.13934	23.0
305.05576	31.9
305.14944	6.3
305.18546	2.7
305.24725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1596
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	3.9
55.05508	6.1
57.03428	4.2
57.07071	2.7
61.02909	3.6
65.03931	1.6
67.05508	3.5
67.74014	1.4
68.99789	4.0
69.03426	14.4
69.07064	2.7
70.06584	3.5
70.25314	5.6
71.04598	2.2
71.04997	34.5
72.08160	3.6
73.02934	2.2
73.06557	4.8
74.68831	1.4
77.85966	1.7
79.05502	4.5
81.03435	7.3
81.07051	4.5
83.05000	7.9
83.08614	6.2
84.04507	3.1
84.08144	4.3
85.02905	28.5
85.06537	16.3
86.06049	1.7
86.09718	2.4
86.20551	1.6
87.04472	1.9
91.03933	1.9
91.05474	5.2
95.04971	8.6
95.08599	1.7
97.02921	9.1
97.03430	1.5
97.06546	2.2
97.10183	13.7
99.04425	2.6
105.03383	2.0
105.07056	2.5
107.04946	2.4
107.07874	3.1
107.08595	55.3
109.02868	7.7
109.06502	2.0
111.89254	1.4
117.31842	1.3
119.04948	4.4
119.08583	1.8
120.08134	1.9
121.02879	1.9
123.04431	22.8
123.08102	1.2
125.05954	1.4
125.09634	95.2
127.03924	56.8
129.10199	2.3
133.06459	1.8
136.07591	4.6
137.02319	4.2
137.09633	4.3
139.03902	12.2
141.05457	3.2
143.10681	100.0
145.04915	4.3
147.04417	21.8
149.02380	7.1
151.03899	17.7
153.01773	2.9
155.03400	12.5
157.06474	1.9
163.03961	2.5
167.10721	7.8
175.03944	5.4
176.71651	1.5
179.03409	19.1
179.10712	1.8
185.05949	3.2
196.64328	1.6
203.03384	4.3
203.07010	5.2
209.11757	2.6
213.05515	1.6
231.06569	6.9
241.04915	2.6
245.04939	2.0
245.08078	2.7
251.12672	1.6
259.05972	9.8
259.24454	1.5
287.05524	12.9
287.09506	8.0
287.13925	1.7
290.24298	1.6
305.06491	15.7
305.11389	4.7
305.15073	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	305.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43760	0.3
56.05038	0.5
57.03441	0.6
58.38858	0.3
58.80565	0.3
69.03427	0.5
70.57537	0.5
77.83322	0.3
79.37749	0.3
79.44258	0.2
81.76227	0.2
83.96148	0.2
84.04508	9.1
85.02908	14.1
86.06054	0.3
87.04468	0.7
95.01308	1.8
102.05544	6.5
112.03969	1.3
113.02374	1.0
118.06555	7.2
130.05009	42.9
132.08090	2.1
133.08870	1.1
134.09671	0.7
136.07584	0.7
138.10425	0.3
146.09660	2.5
164.07094	0.5
176.14354	100.0
177.14735	0.7
186.48219	0.3
202.15962	0.8
212.65750	0.3
216.13879	0.6
220.65149	0.3
246.14893	0.3
288.12808	0.3
288.15967	5.4
305.05618	1.6
305.18597	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
50.60114	5.2
53.03958	5.4
53.74835	5.9
55.01879	6.4
55.05516	32.0
56.96577	6.2
57.03436	10.8
59.04989	7.5
67.05515	41.8
69.03438	17.4
69.07075	39.4
71.05000	7.9
79.05499	28.1
81.07056	33.2
83.04969	26.7
83.08619	14.5
85.06543	11.2
88.07622	7.2
91.05487	39.8
93.07046	100.0
95.04968	20.6
95.08610	77.7
97.02903	9.0
97.06524	13.9
99.04434	6.5
105.07029	66.1
107.08593	64.9
109.06508	16.6
109.10155	32.4
117.07011	17.5
119.08604	65.1
121.06504	7.6
121.10145	98.3
123.08054	18.4
123.11699	22.3
125.09627	12.9
127.03931	7.8
128.06230	7.1
129.07002	11.4
131.00233	8.0
131.08574	59.2
133.10144	52.3
135.08028	12.4
135.11668	13.4
137.09651	11.2
139.40009	5.5
142.07791	12.6
143.07005	5.5
143.08549	41.6
145.10146	55.9
147.03059	7.8
147.08047	16.1
147.11700	22.6
149.09599	43.5
149.13263	16.6
155.08537	8.5
156.03549	11.3
156.09360	13.3
157.10107	57.8
158.10896	13.9
159.11687	69.7
161.09634	17.1
161.13245	17.4
162.88109	7.3
163.11215	8.1
165.09126	27.8
167.10638	11.7
169.10103	18.5
170.10938	8.9
171.11681	33.3
173.13257	65.1
174.14050	8.9
175.14772	14.2
177.12801	15.8
183.11658	18.8
185.13297	34.3
187.11223	12.3
187.14825	15.8
189.12665	9.2
195.11731	16.2
196.44437	6.0
197.13342	9.1
199.11208	9.3
199.14816	25.1
201.16463	9.1
203.14252	11.3
209.13268	6.8
211.14844	12.3
213.12857	11.7
213.16321	21.8
215.17961	17.9
224.08044	59.7
225.16406	13.0
227.14268	8.9
229.15894	7.8
231.06609	10.5
231.13789	11.1
241.19502	14.2
243.17311	7.5
243.25107	7.1
244.59526	7.2
247.08430	8.0
251.17842	6.5
255.06416	11.8
259.20602	11.5
269.19138	26.9
273.07523	14.5
287.08752	9.0
287.20023	45.6
305.05493	50.7
305.10867	40.6
305.17535	8.3
305.21054	83.6
305.24417	10.3
305.28754	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	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
55.01867	9.4
55.05516	57.5
57.07070	4.8
59.04997	4.4
64.35654	3.6
65.03955	5.1
66.13899	3.9
67.05505	62.3
69.03430	7.7
69.07082	35.1
70.06583	5.1
71.04990	5.5
79.05495	69.1
81.07063	68.8
83.04970	9.8
83.08617	18.7
85.06535	9.3
91.05485	92.8
93.07046	91.3
95.04967	19.6
95.08607	58.7
97.06544	8.5
97.10165	14.5
98.21596	8.2
105.07037	80.4
107.04967	11.4
107.08572	44.6
109.06515	17.0
109.10165	16.4
111.08086	8.0
113.39307	4.1
115.05430	8.4
116.06319	3.8
117.07011	41.1
119.04931	3.8
119.08596	47.7
121.06525	10.9
121.08671	3.3
121.10173	34.7
122.74346	4.0
123.08080	17.3
123.11619	4.1
125.09657	12.0
127.03918	10.1
128.06218	16.8
129.07008	24.0
130.07797	11.1
131.08569	98.4
133.06500	7.0
133.10127	32.8
135.08041	15.9
135.11670	19.1
137.05988	14.4
137.09592	9.2
139.03923	5.5
139.11192	14.9
141.06978	10.5
141.09093	5.0
142.07758	8.9
143.08569	85.2
145.10127	100.0
147.08072	13.7
147.11713	14.4
149.09590	12.3
149.13297	6.7
153.36949	4.6
155.08519	4.5
157.10141	22.9
159.11691	22.5
161.09613	13.8
163.11249	7.1
169.10124	14.1
171.11691	27.4
173.13361	4.7
175.11208	7.3
181.10123	10.7
183.11696	11.8
185.13275	8.5
195.11699	21.2
201.12755	5.3
213.12866	4.4
213.16399	5.9
227.18008	10.7
228.99939	4.5
237.16487	24.8
245.19000	8.7
255.17485	21.3
273.18564	38.3
287.20078	15.3
287.30563	6.0
305.05484	35.6
305.20901	27.7
305.31451	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2115
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.12544	2.0
55.05502	6.7
55.77091	1.7
61.06625	1.6
62.14042	1.5
67.05244	1.4
67.05511	17.3
69.03417	5.5
69.07081	9.1
71.04981	6.8
79.05486	7.3
81.07066	13.5
83.08605	7.0
85.06534	5.3
91.05479	7.5
93.07050	15.5
95.04954	7.0
95.08607	11.3
97.06520	6.7
105.07056	8.2
107.04903	1.7
107.08602	23.4
109.06526	16.3
109.10167	100.0
117.07049	3.3
119.08601	8.3
121.10165	11.2
123.08084	4.5
125.09603	5.2
126.01991	1.5
126.89537	1.6
127.11197	17.6
131.08554	5.5
133.06487	1.6
133.10117	10.3
134.19946	1.6
135.08064	13.6
135.11670	2.2
137.05974	11.4
137.09602	4.2
139.11121	2.9
143.08469	1.4
145.10069	3.9
147.08049	3.9
147.11705	4.2
149.09637	9.4
149.13254	7.1
151.07564	5.0
151.11195	1.9
157.10168	3.4
159.11656	2.5
161.09605	4.6
163.14783	1.7
165.09096	3.0
171.11794	3.1
173.13266	3.8
175.11133	2.0
177.12717	1.6
187.11171	3.0
191.14345	7.2
203.10666	1.7
205.15773	1.8
209.13300	2.0
213.12775	2.3
213.42307	1.7
221.15149	2.2
227.14310	1.8
227.17856	3.9
245.15302	4.5
245.18994	5.6
247.13254	5.0
263.16534	7.7
269.19049	4.2
273.18042	1.8
277.17856	2.3
287.19986	8.4
305.05447	5.0
305.17422	7.4
305.21048	9.7
305.24420	2.9
305.31564	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1705
Annotation	Convolamine
Peak:m/z	Relative Intensity
50.41971	0.2
57.03448	2.7
69.03445	0.6
69.40878	1.4
71.01366	1.1
71.01699	0.2
85.02917	36.8
89.02432	0.2
95.01341	0.4
98.20791	0.3
103.03970	0.7
106.06570	0.2
113.02384	1.7
117.03429	0.3
118.06563	13.6
119.07389	0.3
127.03925	0.2
131.03412	1.8
131.07312	0.2
132.08102	5.0
133.08899	2.4
134.09676	1.3
135.04396	0.3
144.08107	0.3
145.02859	0.3
146.09665	4.8
147.04459	0.3
147.10483	0.5
147.84016	0.2
160.11282	0.3
161.11971	0.2
163.03949	2.7
164.04204	0.2
176.14372	81.6
177.03329	0.3
177.14737	0.5
202.15904	1.3
215.33324	0.2
216.13849	0.5
246.14978	0.8
248.09200	0.3
262.10870	0.5
276.12332	0.3
288.15915	1.1
306.17032	100.0
307.17249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04000	0.3
57.03445	2.4
61.02922	0.3
61.07355	0.2
70.13379	0.8
71.01363	0.9
77.50781	0.2
81.07057	0.4
85.02917	36.9
93.07037	0.3
95.01353	0.4
95.08651	0.3
103.03960	0.5
106.06564	0.2
111.08105	0.8
113.02394	1.9
118.06561	16.0
121.10178	0.3
131.03426	1.5
132.08093	3.0
133.08882	1.2
134.09676	0.9
137.06041	0.3
139.11148	0.3
146.09662	4.1
147.10461	0.4
157.12270	0.7
160.11243	0.5
176.14372	84.2
177.14705	0.8
200.86426	0.3
202.15872	1.4
211.09566	0.4
216.13925	0.8
229.10753	0.3
238.38928	0.3
238.68756	0.2
246.14955	0.7
246.49658	0.2
248.09273	0.5
257.10272	1.4
271.54388	0.3
288.15982	1.0
306.17035	100.0
307.17404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09880	0.3
58.02972	0.5
63.84978	0.3
64.06757	0.3
69.07076	0.9
70.13097	1.1
70.85493	0.3
79.05492	0.5
81.07050	0.9
91.05472	0.4
93.07050	0.5
94.04198	1.1
95.08637	0.6
98.21536	0.3
105.07123	0.3
107.08626	0.5
109.10163	0.9
114.09183	0.5
117.12841	0.3
122.03669	5.5
126.09164	0.5
133.10132	0.8
135.11728	0.8
137.05997	100.0
138.06319	0.4
151.11237	0.5
153.12733	0.7
170.15399	2.2
181.14182	0.3
182.15434	4.1
249.62817	0.3
306.20636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96305	2.2
54.22315	2.1
54.22567	2.5
58.89363	2.1
58.99636	3.5
64.34091	2.0
70.64629	7.2
73.18394	2.1
76.02233	6.7
84.04503	14.5
85.04839	2.9
101.00894	7.2
119.01928	5.4
130.05022	9.2
139.03928	8.1
143.01945	4.8
161.02913	6.8
173.03012	2.9
179.04929	3.5
202.89084	16.0
203.03995	3.8
231.04265	2.3
247.02812	3.4
298.14865	2.4
307.07947	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	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45976	2.1
55.03713	2.2
70.15636	5.4
70.16028	7.3
94.93012	12.4
182.87463	2.3
202.89108	100.0
218.92458	3.3
225.14012	2.8
232.47498	2.7
244.90262	6.3
246.88251	3.9
274.85699	2.6
306.90195	7.2
307.04654	3.5
307.07867	69.7
307.11142	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	307.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01877	0.1
55.05501	0.2
57.03459	0.1
61.02942	0.2
63.02383	0.3
63.80103	0.1
67.05526	0.1
69.03435	18.5
69.71826	0.4
69.72232	0.2
71.58503	0.1
79.05503	0.8
81.03425	1.3
81.07076	0.3
85.02911	0.9
86.03246	0.2
89.03919	4.2
93.07076	0.2
95.04966	0.2
95.08613	0.3
95.42869	0.1
97.02892	1.5
99.04485	0.7
107.04967	1.4
108.28324	0.1
109.02908	1.0
109.06429	0.1
109.10166	0.2
117.03387	6.8
118.06551	0.2
127.03924	8.1
131.04898	0.1
135.04428	13.8
145.02859	10.9
145.06544	0.1
151.11111	0.1
155.05003	0.1
163.03914	100.0
164.04343	0.3
173.05974	0.2
176.14342	0.6
177.05569	0.1
177.14699	1.5
181.04884	0.3
189.05444	0.2
191.03404	0.2
193.04918	0.1
197.05946	0.1
201.05518	0.2
203.06998	0.2
215.07013	0.2
217.04967	0.4
219.06569	0.3
233.04549	0.1
243.06651	0.2
247.06053	0.3
277.06955	0.1
291.72037	0.1
294.69666	0.1
307.08133	11.0
307.17343	2.9
307.26242	0.1
315.18494	0.1
315.57678	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	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00295	0.6
55.01869	0.7
63.13691	0.2
65.03942	0.7
65.23791	0.2
67.05494	0.9
68.99779	0.9
70.42603	0.2
70.91072	0.3
79.05481	0.3
82.50307	0.3
83.04969	0.4
84.08061	0.3
85.32107	0.2
93.03416	0.8
95.04968	1.2
97.02874	0.3
100.06305	0.2
103.05467	0.4
106.53193	0.2
107.04944	1.1
111.04449	1.3
119.93146	0.2
121.02873	0.8
123.04426	1.6
127.03931	1.4
131.04916	0.9
133.02852	1.8
135.04404	2.8
139.03908	100.0
140.04169	0.2
145.02858	0.5
147.04344	0.3
149.05997	0.9
151.03917	3.9
153.01846	0.7
153.05498	1.3
155.03439	0.4
159.04448	2.1
163.03917	10.0
166.31306	0.2
167.07069	0.3
169.04971	2.5
177.05504	2.9
181.04961	6.0
195.06546	3.1
205.04974	0.9
223.05994	1.4
229.05051	0.4
238.55411	0.2
247.06065	0.5
271.06094	0.4
275.58847	0.3
289.07053	1.0
307.08167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78180	0.8
69.03453	0.9
69.41039	5.2
70.06575	0.8
76.02243	1.1
79.05502	1.9
81.07053	1.6
82.02933	0.9
83.04987	0.8
84.04514	1.3
87.00828	2.7
93.07036	2.4
94.06545	1.9
98.21490	1.6
105.23574	0.8
105.31237	0.8
115.05479	1.4
119.04923	1.0
120.08118	0.9
121.10144	3.3
123.04446	6.9
124.04778	4.6
130.06532	90.1
132.04457	23.0
139.03941	5.2
139.11235	1.6
140.04265	1.1
145.02821	2.0
146.06017	5.7
147.04419	3.5
147.30643	0.8
149.09622	1.8
157.07619	74.7
158.06021	100.0
163.03899	4.7
164.04231	1.0
167.10663	1.1
173.07150	5.5
175.08684	50.2
176.07063	1.2
177.05486	1.8
179.04958	1.0
181.54707	0.8
197.07121	2.2
198.05579	1.1
199.08862	1.8
201.06595	5.8
203.08189	6.3
221.09225	5.0
225.06566	1.6
243.07643	9.6
245.09225	2.2
247.07162	3.8
261.08716	51.1
271.07095	2.8
289.08246	15.3
290.07434	2.0
296.00586	0.8
307.09348	6.9
317.58081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78180	0.8
69.03453	0.9
69.41039	5.2
70.06575	0.8
76.02243	1.1
79.05502	1.9
81.07053	1.6
82.02933	0.9
83.04987	0.8
84.04514	1.3
87.00828	2.7
93.07036	2.4
94.06545	1.9
98.21490	1.6
105.23574	0.8
105.31237	0.8
115.05479	1.4
119.04923	1.0
120.08118	0.9
121.10144	3.3
123.04446	6.9
124.04778	4.6
130.06532	90.1
132.04457	23.0
139.03941	5.2
139.11235	1.6
140.04265	1.1
145.02821	2.0
146.06017	5.7
147.04419	3.5
147.30643	0.8
149.09622	1.8
157.07619	74.7
158.06021	100.0
163.03899	4.7
164.04231	1.0
167.10663	1.1
173.07150	5.5
175.08684	50.2
176.07063	1.2
177.05486	1.8
179.04958	1.0
181.54707	0.8
197.07121	2.2
198.05579	1.1
199.08862	1.8
201.06595	5.8
203.08189	6.3
221.09225	5.0
225.06566	1.6
243.07643	9.6
245.09225	2.2
247.07162	3.8
261.08716	51.1
271.07095	2.8
289.08246	15.3
290.07434	2.0
296.00586	0.8
307.09348	6.9
317.58081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54370	2.1
53.03944	2.3
55.01864	4.1
55.05506	8.8
55.26270	1.9
57.03428	2.7
65.03934	2.2
67.05506	23.4
68.99788	3.3
69.03440	6.5
69.07069	13.8
70.06574	3.7
70.91305	5.1
70.91666	3.2
71.04998	35.7
73.02918	2.3
74.76057	2.1
79.05500	44.2
81.07054	20.3
83.04983	6.4
84.04517	3.0
84.08139	2.2
85.02919	2.0
85.06543	7.8
86.09699	4.5
87.00826	5.0
87.04467	4.9
91.05486	8.9
93.07054	56.6
94.06555	2.2
95.04984	4.3
95.08624	19.7
97.06525	14.2
99.08034	2.2
105.07031	6.1
107.04957	3.3
107.08584	4.5
109.10168	2.4
110.07159	4.1
111.04427	4.1
115.03949	3.9
119.04990	2.5
119.08577	2.7
120.51761	1.9
121.10153	100.0
123.04434	11.7
123.08067	2.9
124.04779	4.9
124.74030	2.4
125.06004	3.5
127.03902	2.5
127.07527	4.3
130.06541	53.6
131.08528	10.0
132.04440	14.2
135.04486	3.8
139.03912	24.1
139.11197	52.9
140.34772	2.0
146.05945	3.7
147.04440	5.3
149.09631	25.1
155.03366	3.9
157.07640	47.4
157.12242	42.6
158.06024	58.6
163.03888	19.7
167.10690	37.9
173.07207	3.3
175.08676	31.2
185.11702	17.2
199.13293	7.2
201.06668	2.6
203.08084	5.9
203.12701	5.9
214.34630	1.9
216.40028	2.2
226.43025	2.6
243.07597	4.5
243.12367	3.3
261.08701	30.7
271.11661	4.0
289.08286	10.0
289.12579	5.7
290.07504	5.0
307.09204	5.1
307.12604	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	307.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08522	1.5
52.54353	1.5
53.03933	2.7
53.67820	1.4
55.01851	3.0
55.05501	4.4
57.03437	2.1
64.27351	1.7
65.03929	2.2
66.26568	1.7
67.05503	18.0
69.03419	7.0
69.07075	18.2
70.06597	2.9
71.04999	17.9
71.41893	1.6
73.02905	1.6
76.02221	4.7
79.05498	35.0
81.07059	20.2
83.04963	5.6
84.04482	6.4
84.08130	3.2
85.02903	4.4
85.04027	2.2
85.06522	5.9
87.00834	5.0
87.04446	1.5
89.58796	1.6
91.05476	9.3
93.06492	2.7
93.07046	46.8
94.06566	2.4
95.04971	3.2
95.08161	1.5
95.08611	16.2
97.06524	8.5
98.97584	3.7
105.07018	5.8
107.04974	4.5
107.08595	5.7
109.10162	6.3
110.06031	1.5
111.04426	6.0
111.08077	2.8
115.03901	4.2
116.01717	1.5
116.98589	2.1
117.03319	1.5
119.04906	1.8
119.08584	3.6
121.10147	68.6
123.04433	3.5
123.08061	3.2
124.20050	1.4
125.05973	5.2
127.03921	3.2
130.04979	3.6
130.06531	89.9
131.08553	10.7
132.04457	21.9
135.04326	2.4
137.09610	3.3
139.03877	7.2
139.11189	28.6
142.17339	1.7
145.02904	2.1
146.06017	5.7
147.04382	4.7
149.09613	23.8
150.98033	1.8
157.07611	80.7
157.12233	23.1
158.06023	100.0
162.02162	2.9
163.03928	14.5
167.10690	28.9
173.07108	3.9
175.07158	3.2
175.08672	48.6
177.03374	2.8
179.04828	2.2
185.11694	9.2
199.08728	2.8
201.06595	5.8
203.08240	3.9
203.12746	2.0
219.01680	2.6
221.09155	5.4
225.06615	2.0
237.02798	2.8
243.07698	11.2
245.09264	2.3
247.07159	2.4
260.99106	5.0
261.08725	52.6
271.07227	2.7
271.11786	3.0
287.08145	3.0
289.08392	14.0
290.07385	2.4
305.08881	2.5
307.09036	7.2
307.12637	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	307.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01880	12.1
55.05517	47.4
57.03440	8.5
57.77869	1.7
63.17175	1.4
65.03969	2.5
67.05511	32.3
69.03448	8.9
69.07069	18.5
70.06583	2.0
70.13235	1.9
71.04993	4.2
77.76991	1.7
79.05492	34.9
80.49883	1.5
81.03401	3.9
81.07064	46.1
83.05000	8.0
83.08619	22.7
91.05489	54.7
93.07053	37.8
95.04977	40.9
95.08623	13.4
96.51093	1.6
97.06545	20.1
97.10178	37.1
101.09688	1.7
102.29295	1.6
103.05481	6.0
105.04567	1.9
105.07037	60.5
107.04952	7.8
107.08604	28.5
109.06538	11.1
109.10181	9.1
111.08128	2.5
115.05445	10.5
116.06244	4.0
117.07030	29.4
117.07764	2.9
119.08593	77.2
121.02847	3.3
121.06531	10.3
121.10168	14.6
123.08083	2.0
125.09645	35.5
128.06247	19.9
129.07030	22.7
130.07811	7.4
131.08568	27.9
131.09525	2.2
133.06549	5.5
133.09132	4.4
133.10143	74.7
135.04482	2.3
135.08078	11.6
141.07037	15.3
142.07794	26.3
143.08566	55.6
144.09369	11.0
145.06499	13.7
145.10139	38.6
146.07355	2.5
147.08089	14.3
147.11697	10.3
149.09698	2.4
153.07027	5.3
153.09106	2.7
154.07768	10.8
155.08548	19.0
156.09370	18.5
157.10147	34.8
157.11459	1.8
158.10898	12.5
159.08066	17.5
159.11705	31.0
161.09644	16.8
163.03917	4.7
163.07590	7.0
163.11241	4.2
165.07037	8.6
166.07808	4.3
167.08551	25.1
168.09395	5.7
169.10141	32.4
170.10942	7.5
171.10277	4.3
171.11665	20.9
173.09702	4.9
173.13301	22.4
175.11182	2.3
179.08569	14.3
180.09422	5.4
181.10144	17.3
182.10912	25.0
183.11732	15.8
184.12491	7.2
185.09666	2.6
185.13261	4.3
187.11208	7.3
187.14819	2.1
189.11252	23.2
191.08612	2.9
192.09436	6.5
193.10158	17.8
194.10947	11.8
195.11731	13.1
196.12450	8.3
197.09613	1.8
197.13292	35.5
198.14122	5.7
199.11409	2.0
199.14836	8.7
201.12714	1.9
203.08672	5.0
205.10168	4.4
206.10905	13.5
207.11713	27.7
208.12480	9.9
209.13295	21.2
210.14052	3.9
211.14812	15.0
215.08620	2.8
217.10139	5.9
218.10814	8.5
219.11757	9.5
220.12480	8.1
221.09872	2.3
221.13257	30.1
222.14081	8.2
223.11320	2.4
223.14830	18.6
224.15517	1.9
225.16426	3.6
227.14348	3.5
229.10201	4.6
230.10735	2.0
231.11838	5.6
232.12526	7.5
233.13235	18.1
233.15175	2.4
234.14058	8.7
235.14851	10.4
237.12886	4.1
237.16478	8.5
239.18030	4.7
243.17476	4.3
244.12526	6.2
245.13377	6.0
246.13919	3.9
247.14818	11.3
248.15688	7.2
249.16428	10.2
251.14337	8.5
251.18082	2.5
259.14767	15.9
260.15662	4.2
261.16321	3.3
261.18674	2.8
263.17981	19.0
265.16129	2.5
265.19577	3.2
271.16928	21.6
274.17151	12.6
277.19437	2.5
279.21097	6.4
289.18213	32.1
292.18280	4.1
307.09833	7.1
307.20636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.04010	2.0
53.03944	5.5
55.01868	9.8
55.05516	35.8
57.03434	5.6
64.74124	2.4
65.03944	4.1
67.05504	23.3
69.03433	5.4
69.07069	8.8
70.91724	5.1
74.36686	2.6
76.02206	3.0
79.05502	34.6
81.03421	3.1
81.07066	34.0
83.04984	9.2
83.08626	16.0
91.05483	54.9
93.07043	22.3
95.04974	34.5
95.08624	11.6
97.06551	19.0
97.10179	25.6
98.47057	2.1
103.05458	3.0
105.04520	3.1
105.06422	1.8
105.07042	52.3
107.04975	5.3
107.08598	19.9
109.06538	9.9
109.10153	8.5
115.05474	8.1
117.07018	20.2
119.08590	74.1
121.06535	10.7
121.10155	12.5
125.09644	21.1
128.06232	18.6
129.06984	20.1
130.07793	6.9
131.08582	27.4
133.06595	4.6
133.10143	80.7
135.08105	7.1
141.06955	14.0
142.07797	27.7
143.08566	48.6
144.09357	9.2
145.06496	10.4
145.10117	32.2
147.08069	18.0
147.11707	10.9
149.09619	6.8
153.07021	7.1
154.07774	9.1
155.08559	16.1
156.09352	18.1
157.10130	40.3
158.10947	11.0
159.08109	11.3
159.11714	30.7
161.09636	10.2
165.07036	6.0
166.07739	5.5
167.08566	30.3
168.09357	6.5
169.10138	34.9
169.11559	3.0
170.10904	5.4
171.10255	4.0
171.11627	19.2
173.09644	5.3
173.13252	20.7
179.08548	15.0
180.09373	3.9
181.10104	19.2
182.10913	28.7
183.11671	20.2
184.12492	5.2
185.09673	3.7
185.13295	5.0
187.11293	4.4
189.11246	14.4
191.08562	4.0
192.09354	6.5
193.10158	20.4
194.10950	13.0
195.11725	18.5
196.12570	7.4
197.13274	36.0
198.14087	6.5
199.14867	8.1
203.08571	2.9
205.10167	7.9
206.10901	13.2
207.11737	20.2
208.12445	11.5
209.13242	20.3
210.13994	3.0
211.14862	14.0
213.12788	2.7
215.14551	2.6
217.10176	7.4
218.10963	7.6
219.11728	10.6
220.12524	11.0
221.13300	30.4
222.14067	8.0
223.14784	18.3
225.12933	3.0
229.10037	3.8
231.11836	8.0
232.12598	6.3
233.13272	17.2
234.13977	11.4
235.14804	8.2
236.15683	3.6
237.16476	5.1
244.12569	7.1
245.13303	6.3
246.14215	5.5
247.14870	9.8
248.15659	8.1
249.16431	11.0
251.14371	7.7
251.17996	4.8
259.14746	14.3
260.15509	3.1
261.16519	3.9
263.17960	19.4
265.16046	4.1
271.16882	14.8
274.17078	16.3
279.21072	8.7
289.18353	15.1
289.19452	17.0
292.18143	4.0
307.09631	3.8
307.20621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2058
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03932	3.4
55.01866	3.7
55.05519	8.0
57.03432	4.2
59.05005	1.6
62.97855	1.7
65.03946	3.0
67.05508	14.2
69.03431	2.7
69.07062	8.0
71.04968	3.4
77.28580	1.5
79.05492	23.2
81.03409	3.2
81.07064	30.1
83.04964	6.2
83.08620	3.5
91.04967	2.7
91.05483	25.2
93.07054	17.0
95.04967	34.8
95.08618	8.7
97.06536	17.0
103.05460	3.2
105.07034	48.0
107.04923	2.5
107.08594	13.9
109.06536	8.9
109.10133	4.0
115.05467	7.0
117.07033	16.1
119.08596	48.9
121.06504	3.8
121.10143	10.2
123.08051	2.9
128.06226	20.0
129.07024	15.5
130.07780	7.0
131.08574	26.4
133.06531	1.9
133.10139	71.2
135.08084	2.8
141.06998	12.9
142.07793	24.2
143.08565	46.9
144.09303	9.6
145.06523	4.8
145.10115	34.4
147.08083	8.2
147.11688	6.0
149.09615	2.5
152.06253	2.4
153.07007	6.0
154.07767	8.0
155.08548	13.5
156.09355	19.8
157.10126	33.7
158.10893	9.7
159.08067	5.8
159.11697	27.3
161.09633	9.0
163.03937	2.0
165.07053	6.2
166.07770	2.8
167.08580	23.6
168.09378	4.2
169.10135	32.8
170.10938	6.5
171.11678	20.2
172.08908	1.8
173.09695	2.2
173.13264	20.4
179.08551	10.3
180.09383	4.5
181.10135	15.7
182.10927	22.0
183.11713	16.1
184.12512	6.2
185.09631	4.1
185.13235	5.3
187.11206	7.5
187.14656	2.1
191.08592	3.0
192.09314	6.0
193.10173	18.3
194.10902	9.9
195.11670	20.8
196.12520	7.5
197.13251	32.0
198.14026	3.6
199.11194	2.9
199.14842	6.0
203.08560	2.7
205.10193	4.8
206.10896	12.8
207.11694	23.3
208.08897	1.8
208.12482	11.3
209.13277	22.9
210.14095	2.9
211.14806	14.2
213.12726	2.5
214.08461	2.3
214.58768	1.7
217.10115	6.1
218.10973	7.0
219.11755	8.2
220.12486	7.1
221.13264	26.9
222.14055	6.4
223.11285	2.4
223.14822	16.7
225.09280	1.8
225.16379	3.4
229.10092	4.5
230.10995	2.3
231.11728	6.9
232.12540	7.1
233.13338	13.4
234.14087	7.3
235.14871	10.2
236.15582	3.1
237.12781	4.2
237.16293	8.1
239.17952	4.2
244.12469	5.7
245.13243	8.3
246.14021	3.6
247.14949	8.5
248.15585	8.9
249.16406	8.5
250.17209	3.9
251.14308	7.8
251.18001	3.8
259.01300	2.0
259.14835	16.7
260.15710	2.3
261.16306	3.3
263.17966	20.3
265.15823	3.0
274.17267	9.2
279.21112	6.5
289.19556	16.5
292.18289	3.8
307.09790	3.1
307.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01858	5.8
55.05269	1.7
55.05515	17.6
57.03440	3.2
57.75116	1.6
65.03942	1.7
67.05181	2.7
67.05511	34.9
68.05821	2.9
69.03441	2.0
69.07073	20.4
71.04994	2.3
71.52594	1.9
76.02217	5.7
79.05497	20.4
80.21764	1.3
81.03427	1.8
81.07063	41.1
82.07371	1.7
83.04996	3.9
83.08617	9.9
84.04497	3.1
85.06544	2.5
91.05492	20.6
93.07053	22.2
95.01676	1.7
95.04979	17.5
95.08617	26.4
96.08929	3.0
97.06523	7.5
97.10197	2.2
98.06062	10.9
99.06365	2.5
105.07037	23.3
107.04954	4.0
107.08604	16.3
109.06527	9.8
109.10160	12.0
111.08092	4.0
112.07644	1.8
115.78514	1.3
116.01657	1.9
117.07003	4.8
119.08591	18.3
121.02865	2.9
121.06507	2.6
121.10162	11.3
123.08096	9.9
123.11693	4.3
125.09608	2.1
129.06992	2.6
131.08557	8.8
133.10138	15.6
135.08101	3.2
135.11671	6.3
137.05980	6.7
137.09644	5.0
137.13242	3.3
138.06305	6.3
140.31337	1.7
143.08549	2.4
145.10175	7.4
147.08066	1.6
147.11702	10.3
149.09604	4.6
149.13235	3.1
151.11156	1.9
157.10089	3.3
159.11703	5.9
161.13243	5.2
162.02208	2.0
163.11147	4.1
165.12758	3.3
171.11725	3.5
173.13264	7.1
177.12788	2.6
179.04918	4.4
185.13298	2.1
191.14236	1.8
193.12328	2.1
194.63997	1.4
201.12788	4.0
203.14351	1.7
219.17480	3.0
229.19629	1.8
233.06027	2.1
239.17944	2.8
247.20621	3.5
257.18881	7.3
259.61346	1.9
275.20081	46.0
289.21655	7.4
299.71652	1.6
307.09460	4.1
307.23059	21.2
307.28259	100.0
311.02667	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	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62563	1.6
53.03946	3.2
55.01868	1.9
55.05517	16.9
59.04987	1.9
59.21693	1.6
62.72078	1.7
67.05511	61.7
67.54347	1.8
69.03404	1.9
69.07082	11.5
70.96721	2.0
70.97047	2.6
71.04984	3.0
79.05074	2.7
79.05499	29.8
81.07068	42.9
83.04980	4.2
83.08614	5.5
85.06542	4.6
91.04977	2.9
91.05491	34.8
93.07057	28.5
95.04972	4.3
95.08612	33.1
96.17815	1.6
97.06526	4.3
97.10139	2.7
97.30538	1.8
103.05426	2.1
105.07041	45.9
107.04961	3.8
107.08610	14.9
107.42756	2.1
107.55965	1.8
109.06474	3.1
109.10166	25.1
116.01730	1.7
117.07021	11.9
119.08598	40.3
121.10162	11.6
123.08057	5.7
123.11708	6.0
125.09604	3.1
129.06970	2.2
131.08586	16.7
133.10155	36.9
135.08084	3.6
135.11671	6.7
137.05980	3.0
137.09583	7.4
138.06261	3.9
143.08574	2.0
145.10150	13.2
147.11707	18.0
149.09618	7.0
149.13313	2.2
151.11208	3.2
152.50215	1.7
157.10110	3.0
159.11691	10.2
161.09583	2.4
161.13222	8.4
163.11176	2.1
165.12723	2.1
169.10129	2.5
171.11674	3.7
173.13249	9.3
174.19720	1.9
177.12788	3.2
191.14415	1.9
192.50421	2.1
197.13268	4.3
215.14378	2.7
229.19540	4.2
233.15454	2.0
239.17972	5.5
247.20599	7.6
257.19019	6.9
275.20096	100.0
279.23257	2.1
289.21579	5.7
307.09576	5.3
307.22852	3.6
307.26575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05050	1.6
56.96568	0.9
57.98792	1.1
58.99290	1.3
58.99585	18.4
63.77251	0.9
66.49694	0.8
71.52729	1.3
76.02229	100.0
76.03999	3.7
81.07037	1.0
84.04504	42.6
84.30005	1.0
85.53123	0.8
86.99056	3.5
88.02202	2.4
88.47418	1.3
91.55824	0.9
93.07052	1.3
102.05479	1.1
114.03740	1.4
116.01678	24.1
130.05006	13.2
137.05989	1.5
138.06267	3.2
138.83496	0.9
139.06546	1.1
141.04805	0.9
142.03232	10.3
144.01138	10.5
144.99554	0.9
147.04457	2.0
148.75655	0.9
162.02205	40.0
167.14691	1.0
170.02715	4.5
179.04860	57.6
187.05389	1.8
205.06575	1.5
215.04834	1.7
233.05917	16.2
245.06000	3.3
267.06732	2.8
285.07571	2.3
285.10394	1.3
290.08005	1.0
291.06448	2.9
308.09119	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	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
53.73572	0.5
54.93549	0.5
56.05033	1.5
57.23679	0.6
57.98779	0.7
58.99587	16.0
61.02940	0.7
69.03421	0.7
70.06596	2.0
71.51602	1.0
73.01147	0.8
76.02231	100.0
76.03999	3.5
80.05031	0.9
82.06580	1.4
84.04507	47.1
85.02903	2.0
86.99046	4.8
88.02210	1.8
93.79082	0.5
94.93021	2.6
96.92841	2.1
98.00645	0.7
100.07632	1.2
102.05548	1.0
114.03767	1.5
116.01682	21.2
116.02507	1.0
125.05872	0.6
128.07045	0.6
130.05002	13.9
139.03923	1.0
140.04245	1.1
141.01978	0.7
141.04858	1.0
142.03224	11.1
144.01151	10.7
144.02217	0.9
146.02713	0.6
146.08134	7.0
147.80231	0.5
149.47781	0.5
162.02202	39.5
170.02698	2.8
179.04855	51.3
187.05423	2.2
199.05476	0.8
199.07123	0.7
202.89140	2.3
203.89516	1.8
204.87088	1.5
204.89000	2.7
206.86871	3.2
215.04964	2.2
216.03244	0.8
227.05150	0.6
231.04457	0.8
233.05911	15.0
235.08553	0.6
245.06026	4.0
290.07980	1.4
291.06464	2.5
308.09088	11.6
308.12790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15527	1.0
55.01884	1.4
55.05512	2.9
56.05040	1.1
56.96572	1.5
57.03440	11.1
58.99598	6.7
60.04544	1.2
67.05516	1.2
69.03428	4.9
70.06596	2.9
70.84779	1.5
70.85117	1.8
72.08154	6.4
76.02233	32.4
76.04034	1.1
77.84459	1.0
79.05494	7.3
81.03423	1.5
81.07063	18.1
84.04508	13.8
84.08150	4.6
85.01141	1.0
85.02920	2.0
86.09722	7.0
86.99056	2.3
87.02702	1.2
88.03996	2.6
91.05493	4.8
93.07041	2.3
95.01333	8.9
95.04996	2.0
95.08591	1.0
97.02888	1.1
97.06525	2.4
98.09670	1.3
100.02169	1.0
100.04031	1.2
105.00111	1.6
105.07053	1.4
107.04938	2.1
109.06535	9.3
109.75007	1.0
116.01676	6.9
119.04976	4.7
120.08163	1.7
121.06506	2.4
122.02748	5.1
123.04397	1.8
125.06004	2.3
127.03926	1.1
129.01897	1.3
129.10278	2.8
130.04984	4.6
135.04443	2.3
136.04800	1.7
137.05988	41.2
139.05817	1.6
142.03236	2.4
144.01175	1.7
145.02850	2.5
146.02774	3.0
147.04428	16.2
147.08073	1.1
149.05975	1.0
151.03954	2.1
153.05481	11.9
156.08426	5.9
162.02211	12.2
162.35370	1.2
163.03912	9.2
164.04158	9.5
164.07132	1.1
165.05461	1.5
167.10742	0.9
169.05023	1.6
176.05569	2.1
177.05469	4.7
179.04872	15.1
187.07312	0.9
192.03320	2.8
193.08629	1.4
209.08104	11.6
210.04373	11.6
219.06604	3.0
227.09198	1.2
233.05901	5.8
237.07613	3.0
240.59686	1.0
244.10112	1.9
245.60901	1.0
255.08655	100.0
263.00995	1.3
273.09705	35.8
290.12686	1.4
308.08948	3.8
308.13684	3.9
308.18585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02384	0.2
57.07058	0.4
58.99575	0.3
65.61015	0.2
66.04714	0.2
67.05504	0.3
67.45874	0.2
69.07058	0.9
70.74899	0.2
71.08623	0.5
76.02219	1.7
79.05502	0.7
81.07061	1.7
83.79984	0.2
84.04504	0.9
85.10157	0.2
91.05503	0.5
93.07042	0.3
94.04203	1.8
95.08604	0.7
96.49238	0.2
114.09167	0.2
116.01688	0.3
121.10234	0.2
122.03661	5.4
130.05028	0.3
135.04330	0.2
137.05983	100.0
137.13232	0.6
138.06334	0.7
147.04417	0.4
155.14365	0.2
155.89189	0.2
162.02202	0.7
172.17006	1.2
179.04849	0.7
184.16980	3.2
233.05843	0.2
273.83087	0.2
291.23318	0.6
292.13885	0.2
293.56406	0.2
308.09659	0.3
308.22385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89724	0.3
61.00111	0.3
65.03928	0.4
69.03094	0.4
69.03438	7.2
70.21606	1.0
85.02906	0.6
91.05482	5.7
97.02879	0.6
109.02894	0.5
119.04951	19.0
120.05821	0.4
122.23328	0.3
127.03918	4.4
147.04417	100.0
148.04793	0.6
150.49231	0.3
165.05482	1.3
177.45636	0.3
185.32184	0.3
231.06549	0.4
256.51828	0.4
291.08710	2.5
309.09729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.3
63.67634	0.2
65.03931	0.5
65.35941	0.2
65.54714	0.2
69.03433	9.2
69.64770	0.2
70.66808	0.5
74.81395	0.2
77.43757	0.2
81.03413	0.3
91.05486	6.7
97.02905	0.9
99.04449	0.4
109.02864	0.6
119.04949	21.4
127.03919	4.1
139.15082	0.2
147.04417	100.0
148.04756	0.4
165.05470	1.2
231.06689	0.2
291.08609	1.5
309.09647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01632	0.3
55.05492	0.3
61.02896	0.3
65.03921	0.6
67.05482	0.4
69.03431	8.4
69.07074	0.4
69.77446	1.7
76.02229	1.1
79.05489	0.5
81.07058	0.8
84.04519	0.6
85.02916	0.4
91.05488	6.7
93.07037	0.5
95.08589	0.5
97.02906	0.6
99.04498	0.5
101.08304	0.4
101.72567	0.3
109.02898	0.7
109.10130	0.3
117.07057	0.4
119.04948	19.8
119.08547	0.4
127.03925	4.4
147.04416	100.0
148.04774	0.5
157.72211	0.3
165.05510	0.8
179.04907	0.4
274.77151	0.4
291.08633	2.3
291.19550	1.1
306.41010	0.3
309.09769	1.4
309.20828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60205	0.3
58.50277	0.3
65.03936	0.6
68.53208	0.2
69.03432	7.7
70.93262	0.5
75.13535	0.3
91.05487	6.5
97.02870	0.9
99.04476	0.3
109.02882	0.4
119.04948	22.5
127.03928	4.0
136.40083	0.3
142.23856	0.3
147.04414	100.0
148.04753	0.5
164.34209	0.3
165.05510	0.8
177.05389	0.3
231.06682	0.3
291.08624	1.4
309.09802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89324	0.2
59.35755	0.2
61.02924	0.3
63.78260	0.2
65.03938	0.5
69.03434	8.5
69.31977	0.4
69.32377	1.3
78.05427	0.2
88.48917	0.2
89.64076	0.2
91.05489	6.6
96.05038	0.2
97.02905	0.7
98.99638	0.2
99.04437	0.4
100.12835	0.2
107.04945	0.2
109.02881	0.7
116.44743	0.2
119.04946	21.4
127.03924	4.7
145.02827	0.5
147.04414	100.0
148.04752	0.5
152.77596	0.2
165.05489	0.9
177.05508	1.0
181.87189	0.2
184.00386	0.3
210.45528	0.3
216.68013	0.2
231.06477	0.4
291.08661	1.7
309.09775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88558	0.2
61.02929	0.3
65.03931	0.4
69.03434	8.6
70.76485	0.4
70.76823	0.2
81.03442	0.2
85.02892	0.3
91.05485	6.4
97.02887	0.6
99.04442	0.3
109.02870	0.6
119.04949	19.7
123.35198	0.2
127.03931	3.9
143.22153	0.2
147.04416	100.0
148.04790	0.6
153.25809	0.2
165.05515	1.1
201.48901	0.2
231.06566	0.2
291.08630	1.5
309.09668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24964	0.2
53.03960	0.2
61.02935	0.2
65.03944	0.5
69.03436	8.1
70.57406	0.5
81.03455	0.5
85.02899	0.7
91.05489	6.0
95.04996	0.6
97.02886	0.5
99.04472	0.3
107.04977	0.5
109.02886	0.3
111.56697	0.2
116.00246	0.2
119.04956	18.5
123.03690	0.2
123.04399	1.1
127.03928	3.8
147.04424	100.0
148.04825	0.4
165.05510	1.2
177.78804	0.2
220.47458	0.2
263.06964	0.4
281.08182	0.3
291.08658	1.7
307.06686	0.2
309.09839	1.7
309.17291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.3
65.03944	0.5
69.03438	9.0
70.77019	0.5
76.48685	0.2
91.05492	6.2
97.02888	0.7
99.04499	0.4
109.02869	0.4
119.04955	20.6
127.03931	4.1
133.52019	0.2
137.16722	0.2
138.88974	0.2
147.04427	100.0
148.04805	0.5
165.05524	0.6
291.08655	1.7
309.09717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.3
65.03914	0.5
69.03095	0.5
69.03439	7.7
69.46994	1.7
69.90605	0.2
70.24966	0.2
85.02885	0.8
90.18101	0.2
91.05484	6.7
97.02881	0.9
99.04479	0.4
109.02896	0.5
112.91931	0.3
119.04950	19.1
123.96455	0.3
127.03925	3.3
137.05968	0.4
138.06372	0.3
147.04420	100.0
148.04756	0.4
165.05490	1.8
177.54097	0.3
187.07494	0.3
206.09947	0.2
256.09030	0.7
263.26611	0.3
291.08612	1.7
309.09802	1.8
315.67734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
55.05497	0.6
57.03427	0.6
58.99562	0.3
61.02940	1.0
65.03931	0.3
69.03435	6.9
69.07079	1.9
70.06585	0.3
70.65505	0.7
71.01358	0.2
71.04999	0.3
72.08139	0.3
73.02893	0.2
76.02242	1.1
79.05466	0.2
81.03423	0.5
81.07058	0.4
83.08614	1.0
84.04500	0.7
84.08121	0.5
85.02905	4.5
86.09711	0.4
91.03941	0.2
91.05494	5.8
95.04976	0.3
97.02894	1.5
99.04462	0.4
101.09662	0.4
107.04969	0.4
109.02895	0.6
111.11711	0.5
116.01709	0.2
119.04950	18.2
123.04463	1.0
127.03924	4.3
129.10219	0.2
129.12772	0.5
130.04985	0.2
138.78986	0.2
145.04973	0.7
147.04419	100.0
147.13811	0.6
148.04739	0.4
165.05539	0.9
179.04837	0.3
180.05319	0.3
219.36374	0.2
291.08514	1.3
309.09778	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01891	0.5
55.05514	3.9
57.03191	0.6
57.03448	7.1
59.05008	0.7
61.02940	1.5
65.03934	0.5
67.05529	0.8
69.03438	8.6
69.07069	0.7
69.55871	2.9
71.01348	0.8
71.05003	12.6
71.25424	0.4
73.02924	2.6
75.04486	6.3
79.05497	0.5
81.03442	0.7
81.07047	0.7
81.10806	0.4
81.62585	0.4
83.04978	3.0
83.08619	2.7
85.02912	55.0
87.04500	0.9
91.05484	7.1
93.07070	0.7
95.04980	1.6
95.08589	0.6
97.02909	2.8
99.04465	1.5
100.11251	0.6
101.06042	1.3
101.09656	0.5
103.03959	0.6
105.07069	0.7
107.04963	1.1
107.08591	0.6
109.02876	1.3
109.10095	0.5
110.48299	0.4
111.04452	1.5
112.40890	0.4
118.96696	0.4
119.04957	21.7
119.08605	0.7
122.86687	0.5
123.04446	0.8
127.03933	5.6
128.07030	0.4
129.05495	13.9
136.07567	1.1
144.87691	0.4
145.04948	0.9
147.04425	100.0
147.06512	8.2
148.04745	0.5
165.05507	1.1
182.15437	1.6
210.15018	0.4
235.13329	1.0
255.08633	0.4
263.07104	0.8
281.07971	0.4
291.08600	1.1
295.74097	0.4
309.09723	1.5
309.17117	1.4
309.21964	1.3
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
53.03949	1.1
55.01872	2.7
55.05517	18.2
57.03430	1.5
57.07067	0.5
60.56530	0.5
67.05180	0.8
67.05517	9.8
69.03448	3.3
69.07082	8.4
69.78817	3.2
71.04978	0.9
79.05504	11.4
79.95198	0.7
81.03413	1.5
81.07067	13.6
83.04987	2.9
83.08633	10.7
83.09121	1.0
91.05488	7.8
93.06567	0.7
93.07071	8.1
95.01355	0.6
95.04985	4.3
95.08627	5.3
97.02881	1.5
97.06532	1.6
97.10184	15.9
97.33788	0.6
105.07050	6.0
105.10478	0.6
107.04957	2.7
107.08588	7.9
107.13541	0.6
109.02875	0.6
109.06521	1.7
109.09378	0.6
109.10132	2.9
111.04485	1.0
111.08076	1.7
117.07025	2.4
119.04915	1.4
119.08588	5.7
121.06510	1.4
121.10136	2.6
123.08076	5.3
123.11757	0.9
125.09642	12.1
129.07013	1.3
131.08572	4.1
133.06506	2.0
133.10126	2.4
134.07213	0.8
135.08038	2.1
137.06004	1.0
137.09612	1.8
143.08562	1.7
145.10150	3.5
145.77235	0.6
147.04433	3.9
147.08061	3.0
147.11676	2.1
149.09596	1.9
153.09151	1.2
157.10164	1.4
159.11661	1.1
161.09647	1.1
163.11185	1.9
165.09149	2.2
171.10133	1.6
171.11639	1.2
175.11218	1.0
181.12169	0.8
189.11266	8.2
193.12270	1.0
211.13199	1.0
223.13300	6.1
227.17961	0.7
245.19127	1.2
249.14926	0.9
255.17436	1.4
257.07132	0.7
263.19879	0.7
273.18546	9.6
291.19568	100.0
292.20010	0.8
309.17520	0.7
309.20523	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	4.2
55.01875	19.6
55.05514	27.2
57.03438	6.0
57.07077	2.8
65.03928	3.3
67.05510	68.0
68.73841	1.2
69.03419	8.3
69.06727	2.2
69.07072	24.7
70.57507	4.1
71.05006	8.5
76.02221	3.1
79.05497	44.3
81.03408	3.8
81.07060	84.4
83.01324	3.1
83.04987	14.4
83.08617	8.6
83.53049	1.2
83.82684	1.2
85.02900	1.9
85.06544	9.5
87.04450	1.2
90.71463	1.6
91.05486	53.8
93.07049	42.5
95.04983	8.4
95.08608	26.4
97.02864	1.6
97.06533	7.3
97.10173	3.3
97.99254	1.3
99.04453	4.9
99.08086	3.0
105.04539	1.5
105.07039	52.0
107.04955	6.8
107.07879	2.8
107.08598	55.7
109.02888	2.4
109.06522	10.9
109.10159	85.7
111.04428	4.6
111.08098	9.8
113.05998	5.1
117.07047	8.4
119.04934	3.6
119.08595	16.8
121.06501	12.0
121.10178	10.2
123.04451	1.5
123.08074	7.6
123.11720	12.9
125.06008	2.3
125.09634	3.6
127.07547	4.3
128.06224	2.0
129.06960	4.7
131.08569	11.4
133.06458	5.2
133.10141	100.0
135.08067	6.9
135.11710	7.1
137.05975	2.8
137.09612	2.2
139.07535	5.2
139.08501	1.2
143.08546	6.6
145.06496	1.6
145.10127	11.4
147.04428	10.6
147.08054	9.8
147.11687	3.8
149.09657	8.2
151.11186	66.2
152.14296	2.3
153.09087	1.8
155.08430	1.5
157.10144	5.0
159.08032	3.6
159.11694	3.4
161.09627	8.7
161.13260	1.9
163.11137	3.0
165.09071	1.8
167.10641	1.8
169.10130	1.7
169.12248	18.8
171.11705	5.1
173.09665	1.5
175.11154	5.1
177.09126	2.1
177.12726	1.9
179.10684	3.2
179.14313	1.8
181.08696	2.3
185.13248	2.6
189.12709	3.0
196.16983	1.7
197.11592	2.2
199.11256	1.5
199.14760	1.5
203.14285	1.6
203.17950	1.6
207.13779	2.1
209.11627	2.0
213.12743	1.9
215.12766	5.4
217.12251	2.1
227.18013	2.9
231.17372	1.8
245.19011	13.1
251.52371	1.3
255.17432	3.2
263.20132	12.2
273.18497	34.4
280.05096	1.4
291.19547	62.7
309.20541	23.1
309.25232	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	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02372	2.5
52.65498	2.3
53.03923	7.1
53.12244	1.9
55.01863	3.1
55.05510	19.9
57.03421	7.3
57.07066	4.1
63.01818	2.1
63.11545	2.1
65.03931	2.5
67.05178	2.7
67.05505	32.2
69.07063	22.4
71.04966	3.5
79.05493	34.2
81.03400	4.9
81.07056	52.1
82.41750	1.9
83.04969	3.6
83.08635	10.7
90.97639	2.0
91.05486	46.6
91.71848	1.9
93.07043	78.0
93.66706	2.0
95.04965	56.7
95.08611	50.7
95.79029	2.1
96.34759	1.7
97.06538	21.9
97.10158	2.6
103.05439	4.4
105.07034	78.9
107.08594	40.7
109.06485	10.2
109.10152	23.6
115.05422	4.7
117.07010	14.4
119.04903	3.4
119.08585	70.7
121.06512	15.4
121.10149	100.0
123.08050	9.2
123.11685	8.8
128.06187	10.1
129.07019	11.3
130.07755	6.6
131.08574	45.1
133.06487	3.5
133.10135	44.0
134.13811	2.0
135.08122	5.0
135.11649	9.5
141.06978	6.4
142.07797	15.0
143.08556	27.9
144.09311	9.2
145.06462	5.0
145.09065	3.6
145.10126	56.0
147.04373	7.5
147.07988	6.0
147.11681	13.2
149.09625	4.1
154.07751	3.9
155.08575	12.8
156.09302	12.8
157.10132	41.4
158.10872	6.1
159.08035	3.6
159.10468	3.0
159.11699	40.7
161.09621	7.6
161.13188	8.5
165.07045	2.8
167.08536	2.8
168.09341	3.8
169.10149	23.9
170.10883	4.8
171.11708	21.2
173.09628	4.4
173.13266	24.8
175.11194	2.9
175.14760	7.8
179.08475	3.0
181.10049	8.0
182.10861	5.1
183.11687	15.2
184.12445	2.4
185.13292	12.3
187.11150	15.0
187.14822	25.3
189.12804	3.6
192.09367	2.7
193.10060	3.6
194.10873	2.9
195.11575	6.9
195.91823	2.4
197.13220	9.7
199.14835	11.5
201.12776	4.1
201.16302	3.9
207.11693	5.4
209.13237	8.1
210.14081	2.9
211.14757	10.0
213.16357	6.4
215.14279	2.5
221.13235	5.0
223.14801	6.2
225.16386	5.5
229.95142	2.9
235.14717	5.9
239.14290	3.1
239.17868	3.7
241.15758	2.2
248.61797	2.3
249.16240	3.2
251.17944	2.3
253.15875	7.6
253.19409	5.3
265.19388	3.7
267.17575	2.3
281.22552	7.6
291.21140	10.1
309.22018	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.2
54.83180	1.3
55.01874	3.4
55.05515	12.5
55.49290	1.3
57.03427	5.8
57.07070	3.8
65.03937	3.4
67.05193	1.9
67.05515	27.4
69.03421	4.5
69.07073	15.4
70.69069	1.4
70.69387	2.4
71.04977	2.9
79.05502	32.1
81.03419	3.7
81.07066	36.5
81.07832	1.3
83.04973	4.3
83.08618	5.2
91.05489	48.0
93.07053	83.2
95.04980	53.8
95.08617	39.0
96.08959	1.5
97.06546	20.8
97.10155	1.3
103.05450	3.7
105.04574	2.6
105.07043	83.2
107.04958	1.6
107.08607	37.0
109.06540	12.6
109.10178	21.4
115.05437	4.1
117.07028	18.7
119.04936	5.2
119.08592	59.3
120.05727	1.3
121.06535	10.3
121.10158	100.0
123.08069	9.9
123.11749	6.8
128.06221	6.1
129.07019	12.6
130.07797	5.4
131.08585	35.2
133.06506	3.7
133.07655	2.5
133.10144	38.1
135.08012	3.2
135.11723	11.5
141.07031	4.4
142.07776	11.6
143.06004	1.4
143.08563	27.4
144.09335	7.0
145.06477	3.2
145.10136	45.6
147.04420	17.0
147.08083	5.4
147.11693	11.3
149.09637	4.4
149.13260	1.6
154.07800	3.7
155.08588	8.6
156.09386	9.8
157.10152	33.9
158.10942	3.2
159.08049	4.5
159.11717	35.3
161.09604	8.7
161.13284	6.2
165.07036	2.5
167.08571	4.9
168.09369	2.7
169.10147	17.1
170.10936	5.8
171.11720	17.4
172.08875	1.6
172.12338	1.7
173.09650	4.7
173.13283	18.8
174.14099	1.7
175.11263	3.3
175.14874	6.9
179.08563	3.0
181.10133	5.1
182.10919	2.3
183.11711	9.9
185.13322	9.7
187.11235	11.3
187.14873	19.1
189.12695	2.9
193.10161	5.1
194.10902	3.0
195.11720	5.7
196.12456	2.4
197.13321	11.3
199.14784	12.1
201.12785	2.9
201.16374	1.9
206.11024	1.6
207.11661	4.1
209.13231	6.6
211.14905	6.9
213.16420	3.9
215.14392	3.1
221.13272	3.9
223.14819	4.6
225.12750	2.4
225.16447	3.2
230.17010	1.4
235.14835	4.1
237.16393	3.1
239.14331	3.0
239.17981	3.3
249.16335	3.1
253.15858	3.1
253.19629	3.5
265.19577	2.9
281.22714	3.7
291.21182	8.2
309.22147	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	2.9
53.14814	0.9
55.01871	2.3
55.05271	1.2
55.05516	14.6
57.03436	3.3
57.07080	3.1
65.03928	1.8
67.05510	35.4
69.03428	1.7
69.07072	17.5
71.04972	2.4
71.08637	52.9
74.68396	1.1
78.98341	0.9
79.05499	36.4
81.03424	5.6
81.07062	46.3
83.04980	12.8
83.08622	7.0
85.06511	2.4
91.05485	23.5
93.07050	51.1
95.04984	8.5
95.08616	30.0
97.06533	10.2
97.10175	3.6
99.08102	47.0
99.08765	1.8
105.04514	1.4
105.07036	19.4
107.04986	6.4
107.08601	27.9
109.06561	2.8
109.10163	11.7
111.08126	2.6
113.09658	1.7
117.07030	5.4
118.79282	1.0
119.08586	15.0
121.06509	1.2
121.10150	29.3
123.08102	2.5
123.11731	2.9
127.11206	1.3
129.06953	1.2
131.08626	4.8
133.10136	9.4
135.08035	1.4
135.11697	32.5
135.12726	2.2
137.09637	6.5
137.13167	1.2
137.48875	1.1
139.11084	1.3
141.09108	3.7
143.08583	1.7
145.10127	3.6
147.04398	7.7
147.11719	4.3
149.09595	1.2
149.13246	9.7
151.11176	18.2
153.12762	4.0
159.11705	3.4
161.13255	10.6
163.11157	7.0
163.14867	2.7
165.12708	1.4
171.11711	2.6
175.14783	1.1
177.12782	4.5
179.14323	100.0
185.13278	2.1
189.12796	2.3
193.15977	1.0
195.13850	2.3
199.14764	2.0
213.16492	1.3
221.15411	3.8
231.17238	1.2
233.46068	1.1
235.16998	4.5
241.19563	3.3
251.50639	1.3
259.20624	5.5
277.21643	69.4
301.10941	1.2
309.24487	5.1
311.62054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03115	1.0
58.59609	1.2
60.10143	1.1
65.73476	1.0
68.99538	1.2
71.50864	1.4
101.00877	11.7
103.00649	2.0
110.31617	1.1
116.23745	1.0
119.01935	17.8
120.02009	1.9
121.01697	3.2
122.97897	1.2
125.55961	1.0
129.99806	0.9
131.89798	1.3
134.99915	1.7
137.02968	2.6
140.98810	1.6
142.03532	1.5
158.99908	4.6
160.99686	1.1
176.00148	2.6
177.00975	25.7
179.00658	5.3
180.00853	8.4
193.00476	1.6
200.00131	2.7
201.01062	1.8
203.00610	1.1
204.00789	2.0
218.01237	25.2
219.02016	22.9
219.03951	2.5
220.02069	1.6
220.04097	2.5
221.01842	7.9
222.01958	18.0
227.98456	1.7
228.00816	1.8
233.03621	4.2
234.00677	1.4
245.01758	3.6
245.99461	3.1
246.01982	11.5
250.00302	3.2
261.03000	2.2
263.02856	29.8
264.00497	100.0
264.03088	97.3
266.03299	1.4
282.01611	18.0
286.04208	1.6
287.02094	14.9
287.04761	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	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33266	0.7
55.01861	1.3
55.05507	1.7
56.05049	0.9
57.03449	1.3
57.07072	2.6
58.99572	1.4
60.04530	1.1
60.99155	2.6
61.02930	1.7
65.03939	1.7
67.05183	1.2
67.05510	16.3
69.03427	3.6
69.07075	0.9
69.07536	0.6
70.06585	2.9
71.04999	34.9
71.51823	1.3
72.08150	1.8
76.02235	6.4
76.04018	0.8
77.90368	0.8
78.01810	13.0
81.03403	1.0
81.07067	0.9
83.04992	1.1
84.04519	9.9
84.08142	3.1
85.02911	14.2
85.04858	1.0
85.06075	1.2
85.06548	12.4
86.09696	3.1
91.05478	1.3
92.05801	0.7
95.04966	7.6
96.05309	0.8
97.02900	3.6
99.04453	0.9
99.05495	0.8
107.04995	1.0
109.02902	1.1
109.07640	4.3
110.07147	1.6
110.29498	0.8
113.06016	100.0
116.01694	1.3
116.07145	0.9
118.01259	3.9
120.08101	5.2
127.03948	2.1
129.10246	1.3
130.05013	2.8
131.07054	47.9
135.04427	1.7
136.04756	1.8
136.07596	1.7
139.03912	33.9
140.04251	34.4
141.04385	28.0
142.04688	19.1
144.02814	1.1
145.04955	4.4
145.06042	1.7
146.00729	1.7
147.04437	3.8
147.11292	0.9
148.04739	5.0
149.02315	0.9
151.03915	1.1
153.04431	1.6
154.04675	1.0
160.04796	1.1
163.02759	0.9
163.03886	3.9
164.01712	4.8
164.04175	4.6
165.04463	2.5
166.04803	1.9
166.08630	2.7
168.11285	1.0
170.05214	0.9
171.05464	1.0
172.05902	1.1
177.05449	1.2
178.05772	1.4
179.04805	1.8
180.06340	1.2
181.04391	6.7
182.05270	2.0
183.05435	1.7
184.05705	2.1
196.06905	1.0
197.07098	1.1
198.00450	0.9
198.07312	1.5
203.07127	1.3
212.10147	1.1
221.67445	0.8
235.05702	1.4
292.08035	1.2
292.11740	1.2
310.08917	2.9
310.17627	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	310.2377
Annotation	Melophlin M
Peak:m/z	Relative Intensity
55.05489	1.5
56.05021	0.4
57.03423	0.5
65.63837	0.3
67.05479	1.4
68.05017	0.7
69.03390	0.4
69.06741	0.4
69.07072	6.2
69.17759	3.6
70.06558	0.4
71.04982	0.3
73.06530	1.4
75.70808	0.3
79.05518	2.2
80.05003	0.9
81.07052	2.7
83.08601	0.7
84.04493	0.4
86.09718	2.3
91.05456	1.3
93.07046	3.3
94.06560	0.7
95.08615	2.3
96.08093	0.5
97.06516	0.9
97.10178	0.7
98.06024	0.8
98.09666	1.4
98.10337	0.3
98.20797	0.7
100.11217	0.5
105.06988	1.0
107.08623	1.9
108.08129	11.3
109.08900	0.8
109.10190	0.7
110.09662	1.5
110.80339	0.4
115.07567	1.6
116.10703	0.6
119.04899	0.5
119.08563	1.1
120.05251	0.4
121.10111	0.6
122.09680	8.0
122.10448	0.3
123.10485	1.7
123.11695	0.7
124.11208	0.6
125.09587	0.6
133.10107	1.3
133.11046	0.5
134.09720	0.4
135.08073	0.5
135.11685	2.1
136.11240	3.1
137.13208	0.4
144.10243	0.5
147.04442	2.4
148.04767	2.9
148.11247	0.4
150.12794	17.3
150.14006	0.9
151.13582	6.8
152.14345	5.2
161.13219	0.8
164.14343	0.7
166.12314	0.7
166.15909	0.7
178.15919	1.2
180.06580	0.8
180.10265	0.8
182.11694	0.5
192.17487	1.5
194.11810	3.1
208.06029	0.9
210.14928	1.0
212.12811	1.8
212.16391	0.3
220.20625	2.3
222.14917	0.7
222.18515	0.6
234.07628	0.9
236.16502	2.0
237.17334	0.3
238.21687	0.4
243.10106	0.5
261.11313	0.5
264.19571	0.8
266.21170	100.0
267.21680	0.6
268.22626	0.5
275.20062	0.7
278.10208	0.9
292.22885	0.5
310.23795	77.6
311.24176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10072	0.5
55.05478	1.6
56.05008	0.8
57.03404	1.6
61.02905	1.0
67.05468	2.1
68.05006	0.9
69.03431	7.1
69.07068	4.7
69.85034	2.3
70.03725	1.8
70.06554	1.1
72.08133	0.7
73.02888	1.5
73.06533	0.9
74.02393	0.6
78.01758	0.8
79.05486	3.0
80.05019	1.0
80.84069	0.6
81.07069	4.0
83.04944	1.0
83.08601	1.2
84.08107	1.1
85.02862	1.7
86.06031	0.7
86.09652	2.2
88.03951	1.0
91.05484	6.1
91.98313	0.6
92.05815	4.1
93.05863	0.5
93.07040	3.9
94.06532	0.8
95.07317	0.6
95.08572	2.6
96.08121	1.2
97.02879	1.0
97.06519	1.1
98.06033	0.6
98.09668	1.5
98.21411	1.0
98.97528	1.0
101.06023	6.2
101.25177	0.6
105.06999	2.0
107.04892	0.9
107.08611	3.1
108.08120	14.1
109.10124	1.6
110.06078	0.6
110.09638	2.4
117.06965	0.6
118.54206	0.6
119.04142	0.8
119.04942	13.1
119.08549	1.4
120.05274	12.5
122.05995	0.9
122.09674	10.5
123.10428	1.5
123.11674	0.7
124.11195	0.8
127.03930	2.7
128.04205	1.8
129.06863	0.7
133.10124	1.3
135.07948	1.0
135.11644	2.1
136.11243	3.2
136.75699	0.6
137.13243	0.6
138.12842	0.7
142.08600	0.7
147.04417	48.5
148.04750	71.3
150.12785	23.3
151.13576	8.3
152.14349	1.5
153.12729	0.8
161.09572	1.0
164.14304	2.1
165.05487	0.6
166.05740	0.7
166.15915	2.0
166.53473	0.6
174.92630	0.5
178.15880	1.6
179.14302	0.9
180.13809	1.8
190.08621	0.8
192.17445	2.1
194.11760	1.3
210.14882	5.1
212.12779	0.6
212.16446	2.4
218.11790	1.8
220.20570	1.8
222.14803	0.7
236.12814	0.9
236.16379	3.4
238.21727	0.8
246.14822	3.6
251.09726	0.7
264.15939	1.9
264.19672	1.6
266.21155	100.0
267.21396	0.7
268.22665	4.7
269.10568	1.2
274.14490	0.9
287.11554	1.0
292.08997	1.5
292.15570	2.7
292.18829	0.7
292.22861	0.8
292.26285	0.8
297.80722	0.6
310.10220	3.1
310.23779	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10072	0.5
55.05478	1.6
56.05008	0.8
57.03404	1.6
61.02905	1.0
67.05468	2.1
68.05006	0.9
69.03431	7.1
69.07068	4.7
69.85034	2.3
70.03725	1.8
70.06554	1.1
72.08133	0.7
73.02888	1.5
73.06533	0.9
74.02393	0.6
78.01758	0.8
79.05486	3.0
80.05019	1.0
80.84069	0.6
81.07069	4.0
83.04944	1.0
83.08601	1.2
84.08107	1.1
85.02862	1.7
86.06031	0.7
86.09652	2.2
88.03951	1.0
91.05484	6.1
91.98313	0.6
92.05815	4.1
93.05863	0.5
93.07040	3.9
94.06532	0.8
95.07317	0.6
95.08572	2.6
96.08121	1.2
97.02879	1.0
97.06519	1.1
98.06033	0.6
98.09668	1.5
98.21411	1.0
98.97528	1.0
101.06023	6.2
101.25177	0.6
105.06999	2.0
107.04892	0.9
107.08611	3.1
108.08120	14.1
109.10124	1.6
110.06078	0.6
110.09638	2.4
117.06965	0.6
118.54206	0.6
119.04142	0.8
119.04942	13.1
119.08549	1.4
120.05274	12.5
122.05995	0.9
122.09674	10.5
123.10428	1.5
123.11674	0.7
124.11195	0.8
127.03930	2.7
128.04205	1.8
129.06863	0.7
133.10124	1.3
135.07948	1.0
135.11644	2.1
136.11243	3.2
136.75699	0.6
137.13243	0.6
138.12842	0.7
142.08600	0.7
147.04417	48.5
148.04750	71.3
150.12785	23.3
151.13576	8.3
152.14349	1.5
153.12729	0.8
161.09572	1.0
164.14304	2.1
165.05487	0.6
166.05740	0.7
166.15915	2.0
166.53473	0.6
174.92630	0.5
178.15880	1.6
179.14302	0.9
180.13809	1.8
190.08621	0.8
192.17445	2.1
194.11760	1.3
210.14882	5.1
212.12779	0.6
212.16446	2.4
218.11790	1.8
220.20570	1.8
222.14803	0.7
236.12814	0.9
236.16379	3.4
238.21727	0.8
246.14822	3.6
251.09726	0.7
264.15939	1.9
264.19672	1.6
266.21155	100.0
267.21396	0.7
268.22665	4.7
269.10568	1.2
274.14490	0.9
287.11554	1.0
292.08997	1.5
292.15570	2.7
292.18829	0.7
292.22861	0.8
292.26285	0.8
297.80722	0.6
310.10220	3.1
310.23779	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Cl-Amidine
Peak:m/z	Relative Intensity
51.80876	0.2
55.05489	0.4
57.07081	1.9
65.03972	0.3
67.05509	1.8
68.99772	0.3
69.07062	0.5
71.08638	0.3
74.41885	0.3
75.47866	0.3
79.05502	1.6
81.07066	2.6
83.04959	0.7
91.05441	1.2
93.07061	2.2
93.72354	0.3
95.08611	2.2
96.47392	0.3
97.06522	0.3
105.07011	0.8
107.08610	1.6
107.60495	0.2
109.02784	0.3
109.10126	1.0
111.04408	1.0
117.06993	0.3
119.08560	0.8
121.10136	2.0
121.70838	0.2
121.84093	0.2
125.05966	0.4
125.09659	0.3
131.08536	1.0
133.10126	0.9
133.38737	0.3
135.04410	0.6
135.11685	1.1
145.10136	1.6
153.05482	1.3
159.11703	0.5
173.13246	0.3
181.12270	0.5
191.10625	0.8
193.04980	0.4
201.16386	2.0
207.08122	0.3
208.08858	0.6
209.05962	0.3
209.11751	7.5
219.17453	2.6
221.06030	0.7
222.06754	1.0
223.07585	0.3
232.24963	0.3
234.06731	0.6
235.07562	9.5
236.08394	1.5
236.10382	0.3
237.08997	0.3
237.11240	5.7
238.06203	0.6
240.07878	0.5
240.42889	0.3
247.07646	1.9
249.05519	0.8
250.06288	0.9
251.07059	6.9
251.10789	0.5
252.22430	0.4
255.12352	1.6
263.04510	0.5
263.07074	6.1
264.07834	38.7
265.08365	0.6
265.12408	0.4
266.05753	1.0
269.11685	1.0
282.08939	0.6
291.10367	0.3
293.11743	75.2
294.12045	0.8
295.09778	0.8
311.12802	100.0
312.13214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.47990	1.1
53.03942	1.3
55.01870	4.0
55.05515	8.9
57.03434	1.6
57.07073	9.2
59.97296	1.1
63.43304	1.0
67.05512	21.3
69.07078	14.9
71.04978	1.9
71.52792	1.6
71.53173	1.5
79.05496	14.4
81.03387	1.4
81.06592	1.7
81.07063	23.2
83.04988	7.5
83.08617	7.0
85.06560	1.3
91.05486	8.9
93.07042	19.0
95.04994	6.4
95.08610	13.8
97.06516	3.5
97.10150	3.7
105.07046	16.5
107.04930	6.8
107.08598	13.2
109.02891	1.4
109.06501	6.9
109.10146	6.8
111.04443	4.9
111.08093	2.2
117.07034	5.8
119.08586	9.7
121.06502	6.9
121.10167	6.8
123.04433	1.2
123.08062	3.4
123.11694	3.3
125.06004	1.7
125.09615	1.7
129.07025	2.2
131.08565	11.1
133.06461	1.2
133.10133	11.5
135.04391	1.8
135.08075	2.2
135.11687	4.2
137.09605	1.8
138.59052	1.4
143.08560	3.6
145.10135	8.3
147.08051	3.5
147.11700	8.9
149.09631	4.6
149.13290	1.5
151.11195	5.0
153.05473	4.4
155.08586	2.0
157.10164	2.6
159.08109	1.8
159.11743	5.5
161.09602	2.7
161.13293	2.1
163.11203	4.9
173.09673	2.9
173.13281	4.1
175.11154	2.3
181.12202	1.5
183.11812	1.3
185.13335	1.9
187.14769	2.2
191.10696	3.8
191.14294	1.8
197.13321	1.2
201.12688	2.4
207.13890	1.6
209.11729	28.2
219.13789	3.8
229.19539	1.4
237.11227	24.7
239.17886	1.7
247.20572	2.5
255.12311	5.7
257.19086	9.7
264.07840	1.7
275.20081	100.0
276.20370	1.4
293.11758	2.2
293.21075	57.3
293.73038	1.3
311.12823	2.3
311.18710	2.3
311.24710	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.26685	1.4
53.03941	1.6
55.01873	4.6
55.05513	7.6
55.08975	1.4
57.03429	1.6
57.07077	32.5
62.63966	1.6
67.05514	13.5
68.99786	3.0
69.07069	8.5
70.06578	1.3
71.03557	2.1
71.04995	2.3
71.08616	2.9
79.05496	7.9
81.06665	1.7
81.07066	19.8
81.91836	1.3
83.04991	8.5
83.08636	7.1
88.07636	2.4
91.05478	8.7
93.07040	12.1
94.31755	1.3
95.04940	2.8
95.08166	1.2
95.08614	13.0
97.06522	4.9
97.10176	2.1
105.07029	10.4
107.04952	3.4
107.08583	8.1
109.02905	1.9
109.06493	3.6
109.10152	7.2
110.03654	2.1
111.04449	16.1
111.08077	5.1
117.07016	3.8
118.06759	1.5
119.08602	8.9
121.06488	2.1
121.10141	6.6
123.08070	5.0
123.11678	3.2
125.06007	7.0
125.09633	2.8
131.08556	3.5
133.10120	10.3
135.04437	3.6
135.11693	4.2
137.09598	3.5
139.11090	1.8
145.10091	4.6
147.04378	1.6
147.11671	4.5
149.02338	5.9
149.09619	4.8
153.05478	16.8
154.52585	1.4
157.10088	1.8
159.11632	2.1
161.09607	1.9
161.13290	2.0
163.03827	1.9
163.11160	4.8
164.23416	1.4
173.13283	2.4
174.18478	1.4
174.61179	2.1
177.09090	1.7
177.12743	1.9
181.04930	4.6
181.12267	8.8
183.11652	1.4
191.10661	10.4
193.04991	10.5
196.62521	3.9
199.15074	1.6
205.74910	1.6
209.11740	100.0
224.65636	3.5
237.11226	73.2
239.17888	1.6
255.12286	24.7
257.18909	4.4
265.21646	2.0
275.17297	2.4
275.20117	26.6
293.17459	9.2
293.21057	11.2
311.18790	8.8
311.24561	28.3
311.74643	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12010	1.7
55.01872	6.6
55.05512	17.4
57.03443	2.5
57.07080	36.5
57.65115	1.7
62.81198	1.9
67.05177	2.6
67.05507	29.6
69.03436	12.2
69.07080	10.0
70.06573	2.8
71.04972	2.6
71.08620	2.1
79.05499	16.3
81.03440	4.5
81.07065	42.7
83.04996	9.7
83.08630	10.6
85.06506	1.8
88.07616	2.7
91.05477	19.3
93.07040	19.8
95.04966	7.0
95.08619	18.7
97.06545	5.9
99.08115	3.1
105.07040	19.9
107.04954	4.6
107.08600	19.3
109.02881	4.9
109.06521	6.7
109.10161	13.9
111.04479	17.4
111.08099	3.0
117.06996	5.4
119.08594	17.6
121.06466	4.0
121.10167	10.1
123.08045	4.5
123.11687	6.3
125.05971	7.5
125.09647	5.8
131.08601	4.6
133.10139	21.1
135.04391	3.7
135.08034	4.2
135.11694	7.7
135.70879	1.9
137.09586	2.3
143.08647	2.1
145.10135	8.9
147.08070	2.5
147.11691	8.7
148.37627	2.0
149.02368	6.0
149.09616	6.0
149.13255	4.4
151.11183	6.3
152.67624	2.1
153.05495	16.1
157.10094	2.4
159.11702	4.7
161.09630	2.3
163.11177	11.5
165.12773	2.7
169.10168	2.2
171.11673	2.2
173.13205	3.4
175.11208	3.9
177.12788	2.9
177.56186	1.8
180.02255	2.1
181.04933	2.6
181.12245	11.4
183.11676	1.9
187.10994	2.5
189.11124	2.3
191.10719	10.4
193.04974	15.4
195.13885	2.9
209.11737	100.0
224.65613	2.6
233.15378	2.5
235.16910	9.2
237.11226	83.8
239.17937	2.9
255.12347	26.2
257.19012	4.5
258.19379	2.0
263.20016	2.3
273.68991	2.1
275.20087	42.5
293.17490	7.9
293.21100	18.9
311.18646	10.5
311.24548	31.8
311.74664	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.91393	2.4
55.01866	4.2
55.05506	20.3
57.03428	3.6
59.05009	4.0
67.05509	44.5
69.03411	4.9
69.07075	21.4
71.05016	3.1
71.52984	4.3
79.05489	34.8
81.07058	48.7
83.04974	8.5
83.08617	11.2
85.02890	2.8
85.06535	4.8
91.04977	3.0
91.05489	30.8
93.07051	30.4
95.04945	5.6
95.08616	35.7
97.06525	5.2
97.10158	9.9
98.30761	2.4
101.76444	2.4
105.07032	34.1
107.04964	5.9
107.08602	31.5
109.06502	5.4
109.10150	23.3
111.08092	5.9
117.07008	10.3
119.08573	34.4
121.06435	3.0
121.10156	19.1
123.08066	7.4
123.11690	2.4
125.09631	7.3
129.06973	3.9
131.08551	17.4
133.10129	27.8
135.04437	4.0
135.08099	8.8
135.11674	7.3
137.09625	7.3
143.08568	4.2
145.10121	24.7
147.04396	9.5
147.11734	15.4
148.04747	5.3
149.04973	4.5
149.09654	13.8
149.13217	4.2
151.11139	6.0
157.10069	4.5
159.11696	9.4
161.09564	3.7
161.13278	5.3
163.03893	9.2
163.11192	6.4
164.04211	6.7
165.04405	7.5
165.12584	2.9
169.10213	3.8
171.11758	4.5
173.11768	5.7
173.13243	6.5
175.11119	4.4
177.12817	3.9
181.12173	2.8
187.11237	3.3
187.14928	3.6
189.11197	4.9
191.03473	5.2
197.13289	4.8
209.11681	4.1
215.18005	3.0
239.17972	8.6
257.18976	15.0
265.21689	5.2
275.20068	100.0
293.21173	21.5
311.05261	4.1
311.14600	9.5
311.22461	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.83472	2.0
52.04143	2.1
53.03946	2.1
55.01873	30.1
55.05278	3.1
55.05516	45.4
57.03438	4.9
59.47257	1.9
60.12785	1.9
65.03931	3.4
66.81430	1.8
67.05508	42.6
69.03429	5.4
69.07072	26.8
70.51730	4.5
71.04366	1.9
71.04993	11.6
73.06521	2.0
79.05079	3.7
79.05503	57.2
81.03431	4.3
81.06596	4.2
81.07063	74.1
83.04984	34.3
83.08625	28.7
85.06529	3.7
91.05495	27.7
93.06492	2.2
93.07050	32.6
95.04991	12.7
95.08614	26.7
97.06538	37.0
97.10177	35.5
97.57409	1.9
105.07043	32.4
107.04950	5.9
107.08604	100.0
109.06500	7.7
109.10170	11.8
111.04458	6.5
111.08077	7.7
113.06015	10.9
117.07037	9.3
119.08595	15.3
121.06487	3.7
121.10165	12.8
123.08067	5.9
123.11723	5.4
125.06004	6.4
125.09644	75.5
131.08585	11.4
133.10176	14.0
135.08044	6.5
135.11722	11.5
139.11172	5.8
143.08481	2.8
145.10114	11.1
147.11702	8.4
149.09636	12.0
153.09167	3.9
153.12769	13.2
157.10149	2.9
159.11807	9.6
161.09581	3.2
161.13284	3.6
163.11208	15.4
167.10707	6.0
169.10107	2.5
169.12231	2.4
171.10181	4.8
173.13194	5.4
177.12746	9.4
181.12209	7.6
187.11198	3.8
189.11247	34.4
195.13785	3.4
205.12234	6.5
207.13855	2.9
211.13283	6.2
213.14841	5.3
223.13380	18.2
229.19495	4.2
233.24023	2.2
241.14308	4.4
247.20587	3.6
251.16489	3.4
257.19034	9.8
267.21539	3.3
275.20087	73.9
293.21127	82.9
311.21991	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
51.02365	3.8
53.03932	7.7
54.68413	2.0
55.01858	6.1
55.05515	33.2
55.96672	2.0
57.03430	7.2
57.07069	10.1
65.03941	2.8
67.05184	3.3
67.05513	43.4
69.07076	61.5
69.20414	21.8
71.04980	5.6
79.05499	29.2
81.03412	6.8
81.06597	4.0
81.07062	45.1
83.04951	4.2
83.08618	15.8
91.05490	39.7
92.82604	2.1
93.07050	100.0
95.04977	66.4
95.08611	91.7
97.06548	29.9
97.10151	9.2
103.05415	2.9
105.04526	3.4
105.07039	82.9
107.04948	3.7
107.07888	3.3
107.08597	54.9
109.06545	12.7
109.10162	39.1
111.11715	3.4
115.05454	3.6
117.07024	18.4
118.88613	2.9
119.08590	80.9
121.06503	22.9
121.09327	4.0
121.10150	54.2
123.08062	22.3
123.11709	17.3
125.09457	2.7
128.06215	5.5
129.07014	7.1
130.07779	2.8
131.08585	25.4
133.10139	39.6
135.04417	6.5
135.08087	15.7
135.11687	14.2
137.09631	5.3
137.13214	7.4
141.06960	2.9
142.07761	7.3
143.08537	13.0
144.09360	3.1
145.10132	38.9
147.11710	25.6
149.09644	5.4
149.13274	5.2
151.11130	2.4
153.07001	2.3
155.08528	3.5
156.09277	3.7
157.10149	26.8
157.11378	4.1
158.10852	3.1
159.08128	4.5
159.11693	46.1
161.09636	12.8
161.13286	13.6
163.11194	5.7
163.14841	3.4
169.10156	12.7
170.10898	3.7
171.11694	14.3
173.09624	4.1
173.13234	15.1
175.14764	11.9
177.16399	26.0
181.10097	3.3
183.11673	6.8
185.13295	8.2
186.14160	2.5
187.11148	7.8
187.14883	5.6
189.16414	14.0
193.10135	3.0
195.11592	4.2
197.13281	5.5
199.14836	6.2
201.16382	10.5
203.17960	6.7
208.57094	2.5
209.11685	9.2
209.13397	5.2
211.14769	8.2
215.17998	11.3
219.17531	5.8
223.14807	9.1
225.16380	2.6
227.17940	3.4
237.11160	9.4
237.16376	3.3
241.19633	2.6
255.12404	3.4
255.17339	4.1
255.21085	5.7
293.22794	11.9
311.23376	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	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	1.6
55.01868	1.0
55.05514	39.2
57.03440	17.0
57.07079	21.5
64.26402	0.5
67.05513	6.2
69.07071	47.4
71.04977	1.0
71.08639	11.5
73.02929	0.6
79.05496	4.6
81.07061	7.7
82.12395	0.5
83.04978	0.7
83.08622	41.0
85.06521	0.4
85.10188	4.9
91.05464	0.6
93.07045	5.4
95.08618	5.8
97.06540	4.2
97.10175	28.3
101.05978	0.7
105.07033	0.8
107.08591	3.8
108.09556	0.5
109.10148	2.2
111.04446	0.7
111.08064	1.9
111.11719	8.4
121.10151	4.8
123.11683	1.3
125.05999	0.8
125.09666	1.5
125.13258	2.2
135.04454	2.3
135.11694	4.7
137.13290	0.8
139.11188	1.0
149.13243	2.1
153.05516	0.6
161.09598	3.1
163.14828	1.2
182.02588	0.4
183.48415	0.5
209.11681	3.4
219.21077	1.7
237.11153	3.3
237.22141	1.0
311.16382	1.6
311.25818	100.0
312.26141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	3.0
57.03435	4.7
61.02937	9.9
69.03440	16.1
69.07072	11.1
70.06594	2.1
70.10300	4.1
71.05000	2.9
71.08328	1.0
71.43802	1.1
73.02927	4.0
81.03440	7.2
83.01328	1.1
84.08154	3.4
85.02914	100.0
86.09715	1.5
87.04472	3.4
87.08122	17.9
91.03966	6.8
93.07053	0.9
96.08142	4.5
97.02905	25.8
98.97582	1.2
99.04467	3.4
105.01884	1.5
105.09154	2.8
109.02919	6.7
111.10484	5.2
115.03938	1.3
115.07613	1.0
119.04915	1.2
119.08569	1.1
120.08123	1.8
122.06046	1.5
123.94828	1.3
127.03933	24.1
133.08630	6.8
134.05899	1.2
138.05482	1.2
139.03908	1.5
145.04977	53.1
147.04437	3.4
148.04785	2.2
150.05527	45.2
157.87009	1.0
163.06036	12.8
173.32971	1.1
224.12781	2.5
231.57130	1.1
250.14381	1.3
268.15515	3.0
295.14001	1.6
312.18130	8.6
313.09134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01870	2.6
55.05264	1.3
55.05511	12.0
57.03436	5.6
57.07063	3.5
60.66582	0.9
65.03930	1.7
67.05508	62.0
69.03435	4.8
69.07076	6.6
69.19253	10.3
70.06589	2.6
71.04980	3.9
74.02452	10.9
74.61267	1.0
79.05071	1.9
79.05492	23.6
81.03419	1.6
81.07059	44.9
83.04973	4.1
83.08615	2.3
85.06540	2.7
88.03994	13.5
91.05482	21.1
92.05797	2.0
92.06712	1.2
93.06489	1.9
93.07050	28.6
95.04975	10.4
95.08611	100.0
98.06039	2.0
105.07039	20.0
107.08587	11.5
109.06525	4.8
109.10161	54.3
116.03459	6.7
116.07080	3.6
117.07014	3.3
119.04932	4.5
119.08588	28.4
120.05263	4.1
121.10140	9.5
123.08062	6.6
123.11707	1.6
133.10132	6.2
134.04500	32.6
134.05530	1.9
135.11703	10.2
137.06000	5.9
137.09619	10.6
137.13284	1.2
147.04428	8.1
148.04749	17.2
149.05002	5.7
150.05251	7.0
151.14819	37.7
161.13252	12.2
163.07530	1.2
176.14368	5.1
177.05479	1.5
179.14319	32.3
196.13295	1.1
300.10345	1.1
312.17819	22.0
312.25363	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.05497	1.7
57.07048	0.6
59.64256	0.5
67.05494	1.1
69.07073	2.3
70.02926	0.8
70.06567	1.7
70.82317	1.0
70.82689	0.7
72.08151	0.4
73.02911	0.5
79.05503	2.4
80.05003	1.2
81.03424	0.5
81.07050	2.9
82.06516	0.4
84.04511	0.7
84.08092	0.6
86.02437	0.6
86.09715	2.0
88.03997	3.2
91.05466	1.4
93.05770	0.4
93.07046	4.8
94.06561	0.9
95.08586	1.8
96.08117	0.6
98.02402	0.6
100.03979	0.9
105.07018	1.5
107.08574	2.6
108.08123	20.7
109.08897	0.9
109.10118	1.1
110.09658	1.4
116.03464	0.4
116.07043	0.5
119.08595	0.9
120.08078	1.1
121.10195	0.4
122.09673	12.2
123.10428	1.8
124.03930	0.6
128.03436	0.8
129.10262	0.5
130.05035	0.5
133.10130	1.5
134.09627	0.7
135.11711	5.2
136.07576	0.7
136.11218	3.8
138.09167	0.6
146.04503	0.9
148.11197	0.8
150.05421	0.8
150.12787	22.6
151.13571	10.4
152.07062	1.1
152.14333	0.7
153.12822	0.6
154.08566	0.6
161.13248	1.0
162.12758	1.4
166.08615	1.5
166.12358	0.6
168.10123	0.6
176.14389	0.4
178.15851	1.6
179.14369	0.6
180.10156	0.9
194.08173	0.4
194.11771	1.9
196.06155	2.4
196.09686	0.5
208.13321	3.8
214.07166	0.8
214.10812	0.7
222.14929	2.0
224.09116	0.9
224.16486	0.6
224.98981	0.4
238.10742	2.2
239.11487	0.5
250.14371	1.1
254.36192	0.5
266.13986	2.1
268.15439	100.0
269.15714	0.8
270.17004	3.1
294.16949	1.1
312.18051	71.7
313.18631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01874	8.7
55.05503	6.2
56.05019	1.5
57.03426	4.2
57.07080	1.4
58.99579	4.1
61.02918	4.3
67.01862	1.8
67.05501	2.4
68.05027	6.5
68.99793	1.8
69.03431	16.1
69.07053	2.7
70.06588	4.0
71.01357	1.2
71.09300	2.4
71.09650	1.2
72.08144	1.9
76.02238	1.7
79.05492	10.1
80.05013	2.6
81.03416	4.3
81.06588	2.5
81.07058	38.5
82.06580	5.4
83.06104	2.0
83.65379	1.0
84.04507	27.8
84.08128	4.5
85.01141	6.6
85.02908	18.6
86.00655	24.9
86.06026	2.0
86.09697	3.9
88.02215	1.6
91.05467	3.6
93.07026	3.2
94.06583	6.0
95.04932	2.6
95.08618	1.3
96.04483	3.7
96.08121	1.7
97.02898	4.6
98.06058	3.1
99.04462	1.5
100.02182	1.6
101.70968	1.1
103.03951	4.5
105.03385	1.7
105.07030	3.0
107.04967	2.1
108.08157	2.4
109.02894	9.7
109.07625	1.8
110.06030	1.4
110.07175	2.9
110.09657	3.1
113.04224	7.9
114.00094	1.8
114.05523	15.9
115.05528	1.6
117.06988	2.5
119.04932	3.5
119.08594	1.6
119.10702	1.2
120.08103	1.0
121.02855	4.9
122.06017	2.2
122.09663	8.0
123.04446	7.1
124.02224	1.5
124.07603	2.1
124.11231	8.7
126.03749	2.2
127.03897	8.1
129.06560	0.9
130.05003	13.3
133.02919	1.4
133.06477	3.2
135.04440	2.0
136.06186	1.4
136.11230	2.9
137.05966	6.3
139.03886	4.0
139.05789	1.7
139.07246	1.4
140.07062	4.4
141.04787	5.3
142.03217	2.8
142.05000	28.0
143.04927	1.3
144.09163	1.2
145.06474	3.0
147.04454	6.9
151.03897	13.7
151.84023	1.1
153.01936	1.6
153.05472	8.1
153.06569	2.5
154.01170	1.0
155.08174	1.6
156.06441	2.4
156.08440	52.9
157.06474	1.5
161.05981	8.7
163.03902	21.4
164.10677	1.7
165.05490	12.8
166.12215	3.0
168.06551	11.2
168.10236	2.5
169.04971	47.5
170.02708	1.1
171.04434	3.1
172.04282	6.6
173.05980	2.1
175.03911	5.6
177.01762	1.5
177.05476	1.6
179.07016	4.4
181.04959	62.1
184.08017	1.2
184.09772	1.1
187.04002	8.3
187.05264	8.0
189.01865	2.5
189.05478	15.6
191.03369	1.7
193.04979	43.8
193.06746	2.4
195.02983	1.3
201.05496	3.0
203.03452	1.8
205.04985	14.2
207.02945	4.2
207.06538	44.3
209.04564	1.9
210.11258	63.0
213.05498	3.7
215.04906	17.7
217.04935	6.5
219.06639	2.8
229.04973	16.7
231.06560	5.5
233.04469	3.9
235.06015	100.0
241.05014	8.6
247.06030	80.4
259.06033	40.3
265.07117	12.4
269.13098	1.9
277.07083	23.6
285.12653	3.9
287.00803	1.4
295.08124	19.5
313.09045	15.9
313.12204	20.6
313.27124	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68965	0.7
53.03936	1.0
55.01674	0.6
55.01870	6.1
56.05030	1.3
57.03434	3.5
57.07050	1.6
61.02920	5.2
66.36037	0.7
67.01855	2.8
67.05490	1.6
68.99780	0.9
69.03423	1.8
69.07067	1.3
70.06573	2.3
71.01371	0.8
71.51932	0.9
72.08149	1.0
73.02915	1.2
79.05475	1.5
81.03410	2.8
83.01303	1.0
83.04968	1.0
84.04503	1.4
84.08139	1.9
85.02907	17.6
86.03219	2.6
86.09675	3.0
87.08085	1.0
89.06025	0.7
90.05518	0.9
91.05474	2.0
93.07000	0.9
94.06520	0.8
95.04959	1.9
95.08599	0.9
96.08129	1.1
97.02893	5.7
98.03227	1.1
99.00799	0.9
99.04435	1.2
103.03950	3.7
103.05460	0.7
105.03341	1.2
105.07020	2.4
109.02882	8.5
110.07166	0.8
111.10438	0.7
112.10784	0.7
117.06996	1.2
119.04933	2.3
120.08029	1.2
121.02905	4.2
123.04410	5.6
123.82596	0.7
127.03951	3.7
128.04279	1.0
129.07014	1.4
129.10182	0.9
131.04974	0.8
133.02803	0.7
133.06470	2.2
135.04411	1.8
137.05959	2.5
139.03917	4.3
143.04872	1.1
145.02809	1.0
145.04939	2.0
145.06456	2.7
146.05156	1.1
146.06152	1.3
147.04439	7.3
149.05994	2.0
150.05461	2.5
151.03925	10.8
151.05818	1.9
153.01820	2.2
157.06421	1.0
159.04445	1.4
161.06030	7.1
163.03915	21.6
165.05460	9.5
167.03459	1.0
169.04964	19.4
171.04448	2.0
172.96216	0.7
173.02336	0.9
173.05963	2.8
175.03926	5.3
177.01859	1.5
177.05515	2.0
179.07024	3.1
181.04959	61.3
185.05974	2.2
187.03911	9.2
189.01868	1.3
189.05481	15.1
192.06491	1.1
193.04967	37.0
193.06741	1.8
195.02879	1.8
199.03932	0.9
201.05383	1.8
202.01636	1.7
203.07005	1.8
205.04945	13.6
205.06685	1.1
207.02914	3.1
207.06526	36.9
209.04404	1.0
213.05508	2.0
217.04974	7.3
219.06602	3.6
221.08063	1.1
223.07565	1.1
229.04962	14.8
231.06503	5.7
233.04456	4.2
235.06017	100.0
236.06105	0.9
240.04097	0.9
241.04980	7.4
247.06026	73.6
249.07617	2.4
251.06966	0.9
256.29895	0.8
259.06012	37.8
265.07037	11.5
277.07092	22.0
291.81216	0.8
295.08011	17.6
295.13165	1.2
313.09012	30.1
313.18481	2.1
313.27301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2162
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.05505	7.1
57.03444	5.5
57.07085	11.5
67.05497	16.1
69.03425	5.1
69.07068	23.3
71.04991	8.1
71.08630	6.6
71.52203	3.6
71.52572	4.9
72.80711	3.7
79.05483	11.0
81.07048	27.8
83.04981	7.3
83.08636	7.2
85.06536	12.2
85.10170	6.4
91.05465	17.8
93.07035	24.9
95.04966	14.4
95.08603	17.9
97.06525	4.3
105.07045	31.9
107.08585	24.7
109.06527	5.2
109.10164	11.7
113.09654	12.6
117.07030	4.0
119.08596	33.7
121.06514	7.9
121.10166	12.8
123.08095	4.3
123.11732	3.9
128.06242	8.0
129.07063	9.2
130.07780	4.9
131.08598	18.6
133.10149	21.2
135.11697	5.1
137.09598	6.8
139.11183	9.4
141.06981	4.9
142.07796	6.3
143.08548	22.6
145.10159	44.5
147.11726	7.2
151.60533	4.4
155.08553	10.9
156.09325	9.4
157.10143	32.0
159.08044	5.1
159.11702	13.7
161.13289	7.6
165.07065	5.1
167.08566	7.8
169.10106	9.7
170.10948	3.8
171.11679	27.3
173.09616	14.6
173.13298	16.4
175.11159	7.0
179.08568	15.8
181.10141	11.0
182.10985	9.2
183.11702	15.8
185.13297	10.3
194.10976	9.9
195.11729	6.3
197.09660	4.7
197.13210	12.0
199.14876	6.1
209.13289	28.7
211.14857	4.2
213.16502	4.4
215.14319	4.0
225.16389	4.7
226.71841	4.2
227.07031	12.4
227.14279	14.2
227.17865	4.6
229.15871	6.6
231.17365	7.6
253.19490	4.6
255.17302	5.1
262.40720	3.9
269.18848	5.9
271.20673	7.3
293.72586	3.7
295.20435	24.2
313.14224	13.9
313.17847	6.3
313.21588	100.0
313.27203	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10288	0.5
55.05311	0.4
55.05514	5.0
57.03442	12.6
57.07080	41.2
67.05515	7.4
67.11584	0.4
69.07069	7.1
69.40079	3.0
71.05014	0.6
71.08635	25.8
74.57910	0.4
75.04486	0.6
81.07057	9.1
83.08626	8.8
85.10184	14.8
89.06037	2.9
93.07053	0.5
95.08612	16.2
97.10191	3.8
99.11729	1.1
103.07561	1.6
107.08607	0.6
109.10158	6.5
111.11738	0.8
117.09103	0.8
123.11716	3.6
125.13285	0.6
128.05377	0.4
134.57542	0.4
137.13272	1.4
151.14799	0.6
189.68359	0.4
203.43382	0.4
221.22585	0.6
239.23782	3.1
257.24725	4.7
313.27377	100.0
314.27783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.17672	0.3
53.03954	1.9
54.45262	0.3
55.52359	0.3
56.23445	0.3
56.96554	0.4
62.06088	0.7
63.02376	0.7
71.04993	0.5
71.08636	0.7
71.53026	0.7
72.08134	0.4
76.97502	0.3
77.03912	0.5
79.05527	0.3
81.03452	0.4
81.07047	0.6
86.06063	1.4
89.03918	5.2
91.05485	7.4
93.07049	11.4
95.04964	2.3
95.08595	0.7
100.07632	1.6
103.05473	9.3
105.04521	0.9
106.04160	0.4
116.10720	0.6
117.03388	18.3
119.04919	0.6
121.06511	52.6
134.03635	1.2
135.04407	0.8
136.05208	0.6
137.06001	0.6
138.53560	0.4
143.10666	1.1
145.02852	49.5
147.04402	0.8
149.05988	5.6
150.09181	0.4
163.03941	2.5
170.11826	0.5
174.95094	0.4
177.05479	100.0
186.05507	1.2
194.08177	0.6
196.14081	0.4
198.11264	5.4
204.06587	0.4
208.67604	0.3
216.12318	4.1
228.14664	0.4
259.01346	0.6
296.12930	0.6
298.10764	0.8
314.13882	38.0
314.19760	1.4
314.27966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02380	0.5
53.03948	1.9
55.01854	0.5
63.02374	0.3
66.25948	0.3
69.84447	1.3
77.03958	0.6
78.04642	0.4
86.09728	0.4
89.03925	4.5
90.38612	0.3
91.05483	7.1
93.06480	0.7
93.07053	12.1
95.04965	1.5
103.05476	8.5
105.04502	1.0
106.04160	0.3
117.03383	16.9
119.04952	0.7
121.06510	56.4
134.03651	1.1
135.04385	0.7
145.02853	52.3
149.05992	5.2
151.07532	0.4
163.03922	0.9
163.15402	0.3
177.05479	100.0
178.05803	0.5
186.05518	1.2
194.08145	0.9
198.11310	1.6
216.12360	0.6
314.13870	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.4
66.29852	0.9
69.03432	3.2
69.07046	1.4
70.06593	2.9
70.41351	2.2
70.41689	1.1
72.08160	6.0
73.06564	50.1
79.05493	1.9
81.03450	1.2
81.07069	2.8
84.04517	1.4
85.02910	11.3
86.09708	1.1
89.06039	22.6
91.03908	0.9
95.01294	0.9
97.02904	3.4
109.02970	0.9
110.07157	1.0
116.07114	3.3
117.09158	4.5
119.04943	0.9
123.04430	1.9
124.07589	1.3
127.03938	1.8
130.05003	1.0
133.06480	1.1
133.08685	1.0
135.10176	100.0
136.06152	1.4
145.04961	1.7
145.06483	1.5
147.04439	1.2
152.07100	10.1
161.05959	1.6
163.03886	0.9
165.05544	1.3
171.14932	1.8
173.05991	2.0
182.12923	1.9
199.14442	1.1
215.07062	1.6
219.06609	1.9
243.06467	1.7
254.03935	1.0
261.07553	1.5
280.00214	1.0
298.10797	1.1
314.08701	1.3
314.12811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06070	2.1
65.68839	0.7
67.05495	1.1
70.02941	1.6
70.06581	1.1
70.32366	2.6
71.08607	2.7
72.08120	1.3
79.05482	1.2
81.07056	5.0
86.06071	18.9
91.05479	1.7
93.07055	1.8
95.08612	1.9
96.08127	3.1
98.09696	1.7
99.08085	1.1
101.02387	2.1
108.08123	1.4
109.06523	8.0
111.08077	6.2
116.10734	6.0
117.03352	1.0
121.06485	1.8
121.08891	1.2
124.07605	1.2
124.11196	1.2
134.09630	3.3
136.06169	1.4
137.05980	4.4
142.08623	2.3
143.10675	6.6
145.02834	2.0
146.08168	0.7
152.10722	2.2
170.11797	6.2
176.14418	0.9
177.05435	3.5
180.10190	2.8
186.17650	0.8
198.11259	100.0
216.12318	44.6
220.79622	0.8
260.92575	0.7
296.18597	2.9
298.10657	1.6
299.11563	0.8
314.14035	3.7
314.19867	3.4
319.58701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.4
58.20726	2.2
61.02915	2.3
69.03436	42.8
69.76460	8.2
69.76865	5.4
71.04998	100.0
72.08174	3.1
81.07031	3.4
82.15163	2.4
84.04508	2.5
84.08123	3.1
85.02912	95.7
86.09687	7.8
89.51553	2.4
107.04942	4.7
109.02841	2.7
111.04430	4.5
123.04410	5.5
125.30957	2.5
127.03910	3.4
129.05501	32.3
135.04416	5.3
147.04417	3.8
147.06529	9.2
148.27205	2.2
151.03897	19.3
153.01826	9.6
163.03900	5.2
165.05458	6.0
169.04979	67.2
177.05562	4.1
181.04887	11.0
189.05438	2.5
193.05002	28.5
194.48251	2.3
201.05447	2.4
207.06558	3.6
210.11362	3.1
211.05966	19.2
219.06480	15.5
233.08148	3.2
235.06032	16.8
243.06514	6.4
261.07568	44.7
274.74548	2.3
279.08661	18.4
297.09393	4.6
315.10474	2.4
315.13702	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	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86934	2.9
53.03952	8.3
55.01876	10.2
55.05511	12.5
57.03442	17.7
57.07060	3.4
58.36571	3.4
59.04961	2.9
61.02929	8.3
63.95112	3.0
66.49755	2.7
67.05519	22.8
68.99820	4.4
69.03442	43.2
69.07069	14.8
69.67493	19.1
70.06592	10.8
71.01368	4.5
71.05007	22.9
71.05354	4.2
72.08176	8.0
73.02920	8.1
79.05502	26.6
81.03432	14.1
81.07066	50.2
83.04993	11.0
84.04522	5.7
84.08140	20.8
85.02912	78.6
85.06560	4.0
86.09729	11.1
87.04491	6.6
91.05484	32.7
93.07050	100.0
94.07381	3.5
95.04973	16.8
95.08619	41.8
97.02915	22.9
97.06536	8.8
99.04476	6.3
103.03957	4.6
103.05504	4.5
105.07034	40.5
107.04995	3.9
107.08600	99.6
107.09309	5.9
109.02893	12.3
109.06535	10.9
109.10178	15.2
111.04460	6.8
115.03908	9.1
117.07020	7.3
119.04962	3.3
119.08598	30.6
120.08134	11.9
121.06493	10.5
121.08468	6.3
121.10167	14.5
123.04427	16.8
123.08092	14.7
125.02346	3.3
125.06052	5.7
125.46424	3.7
127.03922	16.2
128.06227	3.5
129.05562	5.8
129.06982	5.8
130.04988	3.7
131.08589	12.8
133.04956	9.1
133.06541	7.6
133.10139	14.2
135.04469	6.9
135.08069	6.1
135.11707	81.6
137.02361	5.4
137.05995	5.8
137.09628	6.7
137.13223	4.5
141.05544	4.5
142.08736	5.2
143.08591	12.5
145.02832	6.2
145.04965	6.7
145.06546	4.3
145.10155	14.9
146.17805	4.1
147.04433	6.6
147.08060	7.3
147.11696	17.9
149.09610	6.8
151.03961	10.7
151.07556	6.9
151.11243	8.8
153.01852	71.4
153.03035	6.6
153.12775	24.4
157.10126	12.4
159.06615	3.5
159.08110	6.4
159.11736	11.9
161.13284	4.1
163.03931	29.8
163.06056	3.7
163.11215	11.0
165.12781	31.8
169.04971	40.7
171.11710	3.5
175.07491	4.4
177.05496	8.4
177.12755	10.6
181.12251	6.1
189.12772	5.2
193.04996	12.7
193.12248	7.5
195.02946	8.2
195.11618	3.9
201.12729	7.4
211.06078	12.2
211.13371	3.8
215.14392	4.9
219.06607	5.9
219.13844	6.5
231.06638	5.3
231.13771	8.2
232.99632	4.9
233.15268	5.2
235.06044	8.1
243.13759	4.4
261.07550	10.1
261.14871	14.7
279.08893	6.2
279.15909	14.7
287.13943	4.0
297.16800	16.2
315.04901	29.9
315.13913	14.9
315.18356	22.4
315.22937	7.5
330.77893	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	315.2532
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.03956	2.1
55.05320	2.1
55.05515	20.4
57.07071	5.5
60.04520	7.2
65.03912	2.9
67.05509	78.0
69.07073	30.5
69.74166	10.0
71.05013	10.7
72.57139	2.1
79.05503	28.7
81.07061	95.8
83.04980	4.5
83.08619	13.7
85.06552	11.0
91.05459	12.2
93.07053	30.5
95.08616	86.9
97.06536	5.7
97.10158	13.9
99.08077	3.5
105.07069	14.0
107.08604	19.2
109.06550	3.1
109.10176	46.1
109.35412	2.4
111.08101	3.0
117.07013	3.3
119.08602	10.9
121.10153	22.8
123.08065	4.6
123.11729	23.3
131.08586	6.4
133.10132	12.0
135.11725	13.1
137.09554	4.1
137.13228	10.9
139.11140	3.6
145.10098	6.5
147.11687	13.1
149.09641	2.4
149.13272	4.8
151.11162	2.7
151.14810	4.5
153.12697	2.6
159.11653	5.8
161.13261	10.2
163.14896	3.9
165.12758	6.7
173.13232	4.9
175.14894	2.5
179.14275	7.7
187.14815	2.6
209.15398	2.9
217.70120	2.1
223.16968	4.7
243.21077	15.8
261.22168	23.3
279.23221	100.0
297.24329	19.0
315.23187	2.5
316.28687	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	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
56.05024	0.2
57.03415	0.3
60.04511	0.3
66.18494	0.2
66.30779	0.2
67.05499	0.3
69.03413	0.6
69.07063	0.6
69.61861	0.2
69.74000	0.5
69.74415	0.8
70.06590	1.6
72.08158	7.1
72.15174	0.2
74.06075	0.2
79.05496	0.5
81.03405	0.3
81.07050	2.0
83.08627	0.3
84.04497	0.6
84.08129	0.8
85.02898	0.8
86.09708	13.5
87.04460	0.2
91.05502	0.3
96.84057	0.2
97.02879	0.3
97.05271	0.5
98.06033	0.6
98.09686	0.4
98.21529	0.2
99.74889	0.2
104.07101	0.6
106.05013	0.2
108.08116	0.8
109.06506	1.5
110.05344	0.2
110.06058	0.7
111.06849	0.5
116.76861	0.2
121.10179	0.2
124.07578	0.3
125.08372	0.2
126.09162	1.0
128.10732	0.3
129.10222	0.4
132.10168	0.3
136.07591	0.3
139.06297	1.0
149.09650	0.2
152.07054	0.4
153.01866	0.3
154.08635	100.0
157.72581	0.2
163.03964	0.2
185.16501	3.7
199.18089	2.1
203.13902	0.7
211.13210	0.2
213.15993	2.1
217.15472	0.8
227.17561	1.0
228.12376	0.7
235.07613	0.3
250.98000	0.2
316.12811	0.4
317.03003	0.4
335.97708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05512	4.3
56.05039	9.6
56.96549	0.8
58.99586	8.4
61.01155	0.8
65.03935	3.2
65.95928	0.7
66.36436	0.8
67.05510	13.8
68.05026	0.9
69.03403	0.9
69.07079	4.1
70.02969	0.8
70.06586	2.2
70.80876	0.8
70.81232	2.1
71.04998	1.6
73.01145	6.4
74.00655	2.3
74.06060	2.2
76.02242	4.7
79.05504	12.4
80.05022	2.5
81.07061	16.9
82.06588	8.7
83.04984	1.8
83.08618	2.5
85.01141	6.3
85.02908	0.9
85.06546	1.7
86.00661	19.2
86.99052	5.3
87.02701	1.8
88.02235	5.7
88.03979	3.4
91.05488	14.7
93.06489	0.9
93.07050	14.4
94.06570	2.7
94.90678	0.7
95.04984	1.7
95.08617	6.8
96.08144	1.5
97.01121	10.9
97.06498	1.1
99.02695	10.0
100.02215	0.9
101.06061	0.7
102.05521	1.5
105.00085	3.0
105.07043	7.6
107.08597	4.8
108.08141	1.0
109.06520	0.9
109.10165	2.8
110.09686	1.1
111.02677	2.6
111.08062	1.0
113.04240	2.8
113.90206	0.8
114.03744	1.2
117.07023	1.5
119.08585	4.9
120.01223	1.3
120.06566	2.9
120.08086	0.8
121.06504	2.6
121.10131	2.2
122.02747	5.6
123.02691	2.0
123.11686	0.8
125.04206	2.3
129.06995	2.9
129.07848	0.8
131.01646	0.8
131.08586	5.6
132.01163	20.2
132.04472	1.2
133.10141	11.7
134.02657	1.0
135.02682	0.8
135.11682	3.3
136.06412	0.9
137.04211	1.3
145.10175	0.7
147.08061	0.9
147.11720	6.9
149.04123	0.8
149.09595	1.5
149.13271	5.5
152.14314	0.9
153.01859	1.1
154.02170	1.1
157.10043	3.7
159.11716	4.5
165.07397	1.2
165.12775	0.7
166.15768	0.8
175.11198	4.5
177.12761	9.6
181.10490	2.9
184.09712	1.6
191.08937	3.2
193.12297	3.7
194.15387	7.9
195.13857	1.9
209.09927	7.9
211.11536	0.9
211.15764	0.9
212.16501	5.1
218.15515	1.9
224.16513	1.4
227.11040	4.0
236.16583	2.0
252.14198	6.1
254.17540	4.1
270.15250	14.1
272.20090	4.4
274.04855	1.2
298.14774	14.9
316.15811	100.0
316.22751	7.3
317.06708	1.9
317.16144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Bremazocine
Peak:m/z	Relative Intensity
55.05508	1.6
61.16495	0.3
66.92745	0.3
67.05500	1.2
68.05026	1.9
69.07074	2.3
70.06594	8.4
71.04991	0.4
73.44026	0.2
74.02436	0.4
80.05002	0.3
81.07061	3.4
83.08618	0.3
88.07645	0.3
91.05473	2.4
93.07030	2.1
95.08601	4.4
96.08139	1.1
98.06049	0.5
98.21530	0.5
100.07616	4.5
103.05432	0.3
105.07036	16.5
107.08575	2.3
108.08099	1.4
109.10178	1.5
114.05527	1.8
114.09188	0.3
116.07063	0.6
117.07047	1.5
119.08591	10.8
120.08085	0.4
121.10149	1.7
122.09675	1.7
123.11685	0.5
126.09213	0.4
128.07088	5.5
129.07028	0.3
131.08566	3.2
133.09131	0.4
133.10133	7.1
134.09703	0.3
135.11714	0.4
137.13231	0.4
140.10684	0.5
141.31229	0.2
142.08641	4.3
143.08545	0.3
144.09337	0.3
145.10130	6.4
147.11707	4.5
148.11214	0.7
154.08627	3.1
157.10112	0.4
159.11710	3.5
160.12466	0.7
161.13260	1.0
168.10202	15.5
168.51326	0.2
170.19995	0.3
171.11667	0.6
173.13283	1.9
175.13298	0.5
175.14819	9.2
175.16287	0.5
178.08626	3.3
180.10150	0.7
182.11826	0.5
187.14780	0.4
188.14348	0.7
189.16669	0.3
192.10159	0.6
194.11809	1.5
201.16386	5.5
202.15901	2.0
203.17984	1.2
214.15849	0.4
220.13339	0.3
229.01663	0.3
232.13341	0.9
233.13992	0.4
234.14854	0.6
242.19131	0.3
246.14981	1.0
247.15623	1.5
256.20645	1.0
260.16409	2.6
286.18011	7.3
301.20361	3.6
315.59277	0.3
316.22714	100.0
317.22974	1.1
328.35464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05513	5.4
56.05030	4.0
57.07080	2.6
58.02948	0.7
58.06600	0.6
58.48912	0.7
60.04528	100.0
61.34188	0.6
65.03940	0.9
65.76830	0.6
67.05506	10.2
67.05843	1.1
69.07071	7.0
70.06593	1.8
70.91463	0.9
70.91788	0.9
71.08629	1.8
72.04523	2.4
74.06082	2.0
79.05509	3.1
80.05026	1.3
81.07053	10.1
82.06615	0.8
83.04980	0.6
83.08610	4.7
84.08154	0.8
85.10161	0.8
86.06080	0.9
87.04462	4.5
88.07656	0.7
90.05572	1.8
90.64706	0.7
91.05495	2.9
91.41011	0.7
93.07052	3.6
94.06557	1.2
95.04996	1.5
95.07328	0.7
95.08604	8.5
97.06546	0.8
97.10169	2.0
100.07657	0.9
103.47268	0.6
105.07008	1.6
107.08584	3.1
108.08129	0.7
109.10155	4.7
116.07069	0.9
119.08573	3.2
121.10154	2.8
123.11730	0.9
127.08199	0.7
129.22734	0.7
131.79892	0.6
133.10156	2.0
135.11726	1.6
137.09637	2.6
137.44989	0.7
147.11722	0.9
151.07562	2.2
175.83871	0.7
177.09119	0.7
245.22786	1.1
250.25301	1.4
256.26273	1.7
262.25381	2.0
263.23712	1.3
280.26373	13.4
282.27234	0.7
298.27405	14.4
316.28458	60.2
317.21140	3.4
317.28955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01863	2.8
55.05505	15.5
57.07080	11.4
59.04987	3.4
60.04515	7.6
61.75717	1.7
65.03941	1.9
67.05180	3.2
67.05508	43.1
69.03442	3.7
69.07054	5.3
70.06594	7.5
70.57130	4.4
70.57469	1.5
71.04987	3.8
71.17001	1.9
79.05492	10.8
81.03401	3.2
81.07060	27.2
83.04962	4.1
83.08624	6.4
85.02886	1.9
85.06567	2.5
87.04459	3.1
88.07641	8.3
91.05504	12.2
93.07036	16.7
95.04961	26.4
95.08608	18.9
97.06536	7.8
98.91332	1.6
102.09188	6.4
105.07027	16.7
107.08598	37.7
107.62152	1.7
109.02887	2.1
109.06507	15.8
109.10158	74.1
111.08064	2.2
113.06031	2.2
117.07030	6.1
119.08582	52.2
121.06504	7.2
121.10140	11.8
123.08075	19.7
125.09650	2.7
128.06213	1.8
131.08586	8.8
133.06494	1.9
133.10152	9.5
135.08069	10.7
135.11668	2.4
137.09624	62.0
139.11191	1.9
142.07808	2.6
143.08562	4.0
145.10132	10.1
147.08089	5.7
147.11696	5.1
149.09621	7.1
151.07549	55.8
153.05457	3.6
156.09306	2.4
157.10098	5.7
159.08055	4.0
159.11679	3.8
161.09619	9.9
161.13106	1.9
163.11226	5.3
165.09175	5.7
167.07068	3.1
169.10181	2.4
171.11751	9.2
173.09605	2.9
173.13284	3.6
175.11183	4.9
177.09161	4.3
179.10736	2.3
181.08620	5.6
181.12218	3.7
185.04552	2.4
185.13196	2.8
187.11160	3.3
189.12744	22.5
191.10722	3.1
191.14302	3.8
197.11638	2.0
197.13297	2.6
199.11191	3.0
201.12866	2.0
203.14279	2.9
207.13815	27.3
215.14418	4.2
221.15269	3.8
231.13756	2.0
233.15370	5.9
237.14902	8.6
241.15794	2.5
243.13774	7.3
256.26364	16.4
261.14734	5.4
281.18930	2.7
299.19980	15.1
317.21127	100.0
317.28641	9.8
318.21585	3.1
318.30045	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.00358	1.8
53.03944	2.6
55.01873	4.9
55.05513	11.8
57.07072	12.0
59.04984	2.9
67.05507	45.7
68.18262	1.5
69.03413	4.3
69.07061	6.7
69.14316	1.9
69.41376	8.7
69.41795	4.0
70.06597	11.0
71.08651	2.1
79.05489	9.7
81.07058	25.6
83.04993	4.5
83.08622	6.6
85.06544	4.4
88.07640	21.4
91.05481	15.6
93.07056	14.8
94.79556	1.7
95.04975	26.2
95.08614	19.7
97.06516	10.3
98.20709	3.2
102.09195	13.2
105.07051	13.6
107.04945	2.1
107.08593	43.5
109.06517	16.9
109.10159	72.9
111.08091	2.7
117.06995	5.3
119.08584	56.2
121.06497	6.1
121.10136	6.3
123.08067	24.1
123.29173	2.0
125.05983	2.9
125.09631	3.0
129.07043	2.2
131.08585	5.4
133.06509	5.6
133.10117	11.7
135.08066	11.7
135.11713	2.4
137.09622	62.2
143.08571	5.3
145.10124	13.6
147.08022	4.4
147.11708	6.7
148.20787	1.9
149.09627	5.3
150.48674	1.9
151.07552	56.6
153.05441	3.0
153.09102	2.2
157.10210	4.3
158.10866	2.4
159.08043	3.7
159.11691	5.7
161.09595	10.2
163.11192	6.0
164.53593	1.7
165.09140	5.7
167.07072	3.3
171.11688	7.1
173.09573	2.6
173.13242	3.4
175.11174	3.5
179.10625	2.2
181.08592	6.0
181.12209	2.8
183.11636	2.7
185.13144	2.8
189.12750	24.8
191.10678	1.8
199.11258	3.1
201.12569	2.2
201.69333	2.1
203.14238	4.6
207.13818	25.3
215.14244	3.2
219.13676	2.0
221.15364	2.7
223.14818	3.1
225.12619	2.1
233.15332	5.2
237.14825	5.3
239.18137	2.2
243.13841	9.3
256.26370	41.9
259.16864	2.0
261.14825	4.4
281.19052	4.3
299.20013	15.2
300.28970	2.2
317.06839	2.4
317.21118	100.0
318.30029	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03931	1.6
53.77085	1.1
55.01874	1.7
55.05518	12.5
55.80204	1.1
57.07081	6.4
57.72826	1.2
59.04998	4.8
60.04553	2.6
61.48007	1.0
65.03915	1.6
67.05512	43.9
69.03427	5.6
69.07063	4.6
70.06592	2.0
70.11297	3.7
71.04990	4.1
72.83434	1.1
77.03937	1.8
79.05508	9.5
81.03419	1.9
81.07059	27.9
83.04987	4.2
83.08633	6.5
85.06562	4.0
88.07636	3.5
91.05487	12.3
93.07050	21.0
93.54848	1.2
95.04973	24.6
95.08626	20.9
97.06552	7.8
98.21521	1.7
102.09186	2.7
105.07040	14.3
107.04942	1.7
107.08609	34.1
108.05827	1.3
109.06516	16.4
109.10168	79.2
111.04449	1.4
111.08093	2.2
117.07009	4.6
119.06052	1.1
119.08591	53.4
121.06526	4.7
121.10157	7.9
123.08078	21.5
125.09615	2.2
129.06931	1.6
130.07811	1.4
131.08606	6.5
131.94429	1.3
133.06514	3.8
133.10159	9.3
135.08084	11.4
135.11697	2.9
137.09625	67.7
139.07565	2.3
142.07765	2.5
143.08557	4.3
145.06531	1.6
145.10158	10.5
147.08070	4.5
147.11732	6.0
147.26906	1.2
149.09627	6.5
151.07558	56.3
153.05481	4.1
156.09366	3.0
157.10124	3.6
159.08089	1.9
159.11734	4.5
161.09636	9.3
161.13358	2.2
163.07626	2.2
163.11194	4.8
165.09105	5.2
167.07066	4.1
170.00182	1.4
171.11681	5.8
173.09584	3.0
173.13286	3.6
175.11293	2.0
177.09146	3.0
181.08655	5.8
181.12254	3.5
183.11743	3.4
185.13280	1.6
187.11221	1.7
189.12744	26.3
191.10672	2.4
191.14305	1.4
192.11470	1.2
195.11775	1.4
197.13266	2.9
199.11296	2.6
201.12747	2.3
203.14342	1.6
207.13814	22.8
213.16507	1.3
215.14299	3.5
217.16020	2.2
221.15378	5.2
233.15402	4.7
237.14874	5.0
243.13869	10.1
245.85654	1.2
253.19598	1.2
256.26465	8.5
259.17010	2.4
261.14926	4.9
281.18961	3.5
299.20065	14.7
299.27789	1.3
313.28867	1.4
317.06567	1.4
317.21146	100.0
317.28757	6.9
318.30066	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57374	0.5
54.82328	0.5
55.01859	0.9
57.03420	1.1
61.02919	1.3
69.03425	2.1
69.07092	0.6
70.06586	2.0
71.51039	0.5
72.08162	6.1
73.02898	0.5
74.06104	2.4
81.03410	1.2
84.04519	2.7
84.08141	1.8
85.02910	5.3
86.09711	5.1
90.05563	1.8
91.05497	0.8
97.02895	2.2
102.05572	1.2
109.02833	0.9
110.06052	7.0
119.04964	1.4
121.06517	2.5
127.03944	1.2
130.08676	0.8
137.05969	5.3
138.05515	100.0
138.09132	1.4
139.03967	0.9
145.04951	0.8
147.04398	4.2
156.06566	57.1
179.07076	2.2
183.11255	2.1
185.12846	0.7
188.42467	0.5
199.35002	0.5
201.12350	1.9
211.10783	0.7
228.05663	0.8
229.11888	1.3
245.05983	1.1
318.06299	0.5
318.11942	2.5
318.17230	0.6
340.85971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01858	0.3
55.05500	0.9
57.03438	1.5
60.04528	0.6
61.02915	1.2
67.05471	0.4
68.57342	0.3
69.03427	3.3
69.07057	1.1
69.47167	0.6
69.47576	1.5
70.06577	1.4
71.04993	0.5
72.08155	1.7
73.02889	0.5
74.06075	0.3
79.39097	0.3
81.03426	0.7
82.06572	0.8
83.08591	0.4
84.04482	0.4
84.08125	0.4
85.02911	8.1
86.09705	4.1
87.04480	0.6
91.03955	0.7
91.05464	0.7
93.07021	1.4
95.08617	1.6
96.04486	2.3
96.08141	1.7
97.02892	2.6
97.05289	1.7
97.06554	1.0
99.04454	0.5
100.07613	1.2
104.07054	0.3
109.02873	1.0
109.06563	0.4
110.06047	5.4
110.07172	0.5
110.09686	3.2
111.08071	0.9
115.36555	0.3
116.07098	0.5
120.08112	1.1
121.06509	1.3
125.08370	0.8
126.09155	7.9
127.03915	1.7
135.73643	0.4
138.05507	1.1
138.09143	18.0
139.07544	1.5
145.04970	1.2
152.10690	0.5
156.10204	100.0
157.07616	0.4
157.10576	0.5
159.11208	0.4
168.10201	1.3
173.12859	1.2
180.10194	0.9
183.08089	0.3
198.11241	0.5
201.12361	0.8
205.11859	0.8
215.14040	0.4
222.11372	0.5
272.08990	0.4
318.15497	4.5
319.04572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.30246	1.6
53.65549	1.6
55.01875	2.6
55.05502	4.0
57.03424	2.3
58.05096	2.0
60.04524	3.7
61.02915	6.7
67.05525	2.2
69.03436	11.5
69.07056	3.5
70.06609	6.3
71.04977	2.3
71.52058	2.8
72.08162	49.0
73.02919	3.0
75.31805	1.9
78.24229	1.9
81.03410	4.9
82.06535	2.2
84.04501	9.6
84.08127	3.9
85.02911	61.1
86.09707	44.3
87.04456	2.9
88.03983	5.9
88.07653	2.2
91.03973	3.4
93.07022	2.0
95.04973	24.7
96.04482	2.0
97.02895	19.8
99.04456	2.6
102.05537	7.7
109.02872	4.6
109.11074	1.6
110.06023	3.9
121.02877	17.0
121.06505	38.5
124.03955	2.3
127.03933	11.5
127.13425	1.9
128.70735	1.8
129.10210	2.5
130.05074	2.1
132.10196	7.4
134.89992	1.7
138.05518	43.4
138.09126	5.3
139.03912	100.0
140.04218	2.2
140.25420	1.8
141.06607	4.6
141.10213	2.4
143.11775	2.6
145.04977	25.6
145.06044	3.2
145.17337	1.8
153.01790	2.2
156.06569	26.8
156.10210	6.4
157.07591	2.1
159.07712	8.6
163.06046	5.0
180.08653	13.4
183.11382	3.5
187.07344	13.6
189.12338	8.4
201.12347	34.8
205.08551	6.3
211.10741	2.6
229.11874	11.7
292.82932	2.1
301.43909	2.1
318.10858	2.7
318.15634	3.7
318.30219	2.7
319.13687	9.7
324.64392	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	318.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.87351	0.4
54.37593	0.4
55.01877	2.2
55.05505	1.3
55.69564	0.5
56.05053	2.8
56.96538	0.5
57.83539	0.4
58.99588	3.0
59.04184	0.4
60.57957	0.4
60.74155	0.5
67.05497	1.6
69.18201	2.5
69.18632	2.3
70.06590	0.6
72.08155	0.7
73.02943	0.5
76.02217	1.0
79.05496	3.9
80.04998	0.7
81.07061	13.0
84.08092	0.5
85.01130	8.1
86.00659	16.8
86.09713	0.5
86.99047	1.7
87.02160	0.6
87.02695	10.0
87.04462	0.4
88.02223	0.6
88.03979	1.2
91.05457	0.7
93.07037	0.9
95.08602	1.3
97.01087	0.5
97.08922	0.6
98.09701	7.0
98.21513	1.1
105.00068	0.5
105.07034	0.8
108.04474	1.1
108.08112	0.6
109.10167	1.1
113.04227	6.4
122.09704	1.0
130.06851	0.7
131.01617	1.9
132.01158	39.3
132.58145	0.4
134.68974	0.5
138.05492	0.8
148.13829	0.5
156.06563	0.9
156.08444	4.5
159.04756	29.5
185.06273	1.3
202.08974	100.0
212.07408	10.5
244.09706	0.6
282.15244	14.9
300.16306	10.9
318.17413	7.1
318.20895	0.5
318.24384	0.8
318.29846	0.8
319.04419	0.9
320.24988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.93525	0.9
56.94288	1.0
57.03429	0.6
59.62602	0.4
67.01865	0.5
68.99794	4.0
69.03418	0.8
69.31492	3.5
70.95830	0.5
71.05012	0.6
72.08172	2.2
72.93787	4.8
81.03456	0.9
81.07066	0.8
82.95858	0.5
85.02904	0.9
86.09711	0.8
90.94825	4.0
91.05475	1.2
93.03360	0.6
95.04979	0.5
97.02888	1.1
98.21584	0.6
109.02888	0.6
110.07121	0.4
110.95292	0.8
111.00799	1.9
112.73909	0.4
112.96873	0.6
114.94851	0.6
121.02884	1.1
123.04430	0.9
124.96908	1.0
125.02383	1.6
126.03149	1.5
127.03898	1.2
132.95850	1.0
137.02359	5.8
139.03911	1.3
139.11137	0.6
142.94345	0.5
142.97887	1.0
144.95845	0.5
147.04402	1.5
149.05972	1.0
151.03903	1.8
152.96330	0.8
153.01834	13.8
163.03920	1.4
165.01830	8.2
165.03111	0.8
166.94307	0.7
168.70180	0.4
168.95813	0.7
169.01338	4.3
171.04442	0.7
175.03912	0.7
176.10663	2.0
177.05467	1.8
179.03407	4.9
180.95883	2.4
181.01363	0.8
183.02884	1.0
184.95424	0.6
189.05478	1.1
191.03438	0.6
195.02872	4.3
196.95334	6.5
196.97011	0.8
198.96848	0.9
199.03885	1.1
201.00826	0.5
203.03471	2.4
207.02878	3.1
208.95282	10.5
210.93242	0.8
212.94864	1.1
214.96390	3.6
217.05008	2.5
221.04449	1.5
226.96378	50.1
228.94330	0.7
229.04955	0.9
230.95891	1.0
231.02856	0.6
232.03644	1.7
236.94814	3.3
240.94356	1.4
244.97456	45.0
245.04420	7.9
249.97997	25.0
254.95850	10.7
255.02925	1.2
255.11365	0.6
261.03812	0.8
263.05548	1.0
267.99030	13.5
268.93918	2.0
272.96823	6.1
272.99109	0.6
273.03931	9.4
277.97406	17.7
278.00131	0.9
283.02216	0.6
283.11081	0.5
290.04239	2.4
291.00546	1.5
295.98526	26.9
301.03467	2.6
301.11786	1.8
319.04483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
53.03953	0.1
55.01867	0.4
65.03942	0.3
67.01874	0.4
68.99439	0.2
68.99796	2.9
69.03432	0.3
69.57137	0.3
69.57545	0.4
79.01844	0.2
79.05507	0.1
81.03409	0.5
91.05481	0.2
93.03418	0.4
97.02876	0.4
98.20844	0.2
103.05502	0.2
105.03392	0.2
105.07076	0.2
107.01332	0.1
109.02895	2.1
111.00813	4.0
111.04433	0.6
115.05437	0.3
121.02852	0.6
121.06483	0.4
123.04456	0.3
125.02354	0.5
126.03126	0.4
127.03917	0.7
131.04967	0.2
133.02864	0.4
133.06485	0.2
137.02348	3.8
139.03905	0.8
141.12596	0.1
147.04420	0.7
149.02354	0.3
151.03885	0.2
153.01837	21.0
153.05450	0.5
159.04431	0.2
161.02315	0.3
161.05991	0.6
163.03888	0.2
165.01848	5.8
166.02643	0.8
167.03383	0.1
171.04391	0.7
173.06041	0.3
175.03937	0.4
177.05521	0.7
179.03406	2.3
183.02921	1.9
183.04405	0.2
187.03831	0.1
189.05469	2.2
191.03419	0.3
193.01335	0.7
194.02119	0.1
195.02921	1.2
199.03885	0.8
201.05484	0.1
203.03421	1.4
205.05099	0.1
207.02888	0.9
207.06480	0.1
208.03656	0.1
209.04401	0.2
216.04161	0.2
217.04976	6.8
219.02893	0.6
221.04420	0.6
227.03458	0.9
228.04095	0.1
229.04985	0.3
231.02853	0.5
232.03777	0.5
233.04437	0.2
235.02458	0.6
235.06047	0.6
239.01891	0.2
244.03596	0.6
245.04477	8.7
249.04002	0.2
255.02939	1.2
263.05478	1.1
272.03210	0.4
273.03949	7.7
275.18842	0.1
283.02371	0.3
290.04239	2.2
291.04758	0.3
301.03394	1.8
319.04498	100.0
320.04880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01860	0.7
57.15326	0.2
64.28864	0.2
65.03935	0.3
67.01867	0.3
67.05525	0.2
68.99447	0.2
68.99794	3.1
69.03435	0.3
69.40887	1.5
69.41209	0.4
74.78527	0.2
79.01868	0.4
81.03400	0.5
93.03372	0.2
97.02881	0.7
100.29493	0.2
107.01324	0.3
107.04953	0.3
109.02866	0.6
111.00813	2.2
111.04426	0.7
111.27168	0.2
115.05455	0.2
118.97527	0.2
121.02863	0.6
121.06506	0.2
123.04424	0.9
125.02361	1.9
126.03141	1.3
127.03915	1.0
130.04968	0.2
131.04993	0.2
133.02803	0.2
135.04396	0.4
137.02344	5.4
139.03883	0.8
147.04407	0.8
149.02324	0.6
149.05983	0.3
151.03906	0.6
153.01833	19.1
155.04942	0.2
159.27867	0.2
161.05925	0.4
163.03990	0.3
165.01842	9.6
166.02641	0.5
167.03372	0.4
169.01349	1.4
171.04439	0.6
173.05960	0.3
175.03888	0.7
177.05463	1.4
179.01820	0.4
179.03401	7.2
181.01326	0.3
183.02911	1.4
189.01932	0.2
189.05487	1.1
192.04141	0.3
193.01353	0.5
193.04958	0.6
194.02220	0.3
195.02910	4.5
199.03860	1.4
203.03391	2.8
204.04178	0.3
207.02882	4.3
216.04257	0.2
217.04979	2.9
221.04424	1.7
222.53610	0.2
223.02599	0.2
227.03355	1.0
229.04959	0.9
231.02884	1.1
232.03682	2.2
233.04440	0.2
235.02367	0.6
245.04469	8.8
249.04016	0.9
255.02850	1.3
259.02380	0.5
263.05612	0.7
273.03946	13.1
283.02371	1.4
290.04211	2.9
291.05023	0.3
301.03448	2.8
319.04486	100.0
320.04752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0795
Annotation	Flustramine C
Peak:m/z	Relative Intensity
54.06944	4.5
59.06718	4.7
71.41267	8.8
84.09652	5.5
85.02901	5.8
87.80637	4.8
99.04486	7.5
101.00915	4.8
110.07136	4.5
119.01973	6.6
138.05519	11.5
139.05852	16.1
143.01936	8.3
145.03496	6.5
156.06610	9.9
157.06923	7.3
160.96042	4.6
221.05026	6.6
319.07761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78626	3.8
51.90821	3.4
56.03188	3.8
69.82439	16.6
83.59884	3.8
181.48044	4.0
264.21790	4.2
319.04480	5.1
319.07834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0816
Annotation	Acremonidin E
Peak:m/z	Relative Intensity
53.03937	0.6
55.01867	0.5
55.05514	1.2
65.03952	0.5
67.01873	2.4
67.05512	2.7
68.99796	19.4
69.03434	0.8
69.07074	2.2
70.06574	0.7
71.05029	0.5
79.05496	1.8
80.99726	0.4
81.03416	2.3
81.07060	2.1
81.11906	0.5
83.04966	0.6
83.08619	0.8
91.05489	1.8
93.07033	2.4
95.05003	2.9
95.08611	2.0
97.06554	0.9
99.04450	0.8
105.07038	2.1
107.04988	1.3
107.08604	2.5
109.06511	0.8
109.10166	2.0
109.66639	0.5
111.00815	12.4
111.04433	0.6
119.08605	1.9
121.02937	0.5
121.06505	1.3
121.10158	1.4
122.09724	0.6
123.04419	1.4
123.08058	1.0
123.11636	0.7
125.02383	0.8
125.05996	5.5
125.09567	0.5
126.09153	0.5
127.03933	18.4
127.29459	0.5
129.01807	0.5
129.06946	0.7
133.10150	0.9
135.08072	4.2
135.11739	0.7
136.07571	1.2
137.02386	0.7
137.09625	0.7
138.05487	1.3
139.03860	0.5
145.06516	0.5
145.10162	1.3
147.11780	0.8
149.05988	0.8
149.13223	0.5
151.03917	86.0
152.04350	0.6
153.01840	9.0
159.11713	1.0
161.06006	1.9
161.13301	0.6
163.03934	0.5
163.07513	1.7
163.11169	1.1
165.01781	0.7
166.05023	4.3
167.07162	0.9
171.02885	1.0
179.03346	0.7
185.05823	0.5
189.05515	0.9
190.06265	6.9
191.07048	47.4
191.14284	0.6
193.04976	9.9
195.02940	7.7
201.33449	0.5
209.10805	1.0
210.09081	0.6
212.10789	0.8
213.05431	1.2
214.08844	0.5
215.07124	0.4
217.04980	7.5
227.07143	1.0
227.11838	1.1
229.08653	0.6
230.11809	0.8
237.10262	0.9
238.08690	0.5
241.04860	0.6
241.09906	0.7
245.09309	2.3
255.06619	3.4
255.11290	4.2
257.08090	1.2
259.06039	100.0
260.06332	1.3
265.09808	1.0
273.03961	1.1
273.12396	4.0
275.09262	1.2
283.06030	3.2
283.10751	4.5
290.04227	0.5
291.23218	0.6
301.07065	42.8
301.11829	19.8
301.21710	1.4
302.07474	0.6
319.04474	9.3
319.08130	5.6
319.12656	1.4
319.22733	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	321.0608
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00287	0.8
55.01874	0.7
56.05012	0.6
56.96173	0.5
65.03949	4.3
66.32674	0.6
66.91594	0.6
67.01855	1.4
68.99783	4.2
69.03432	1.6
69.86809	2.8
70.06610	1.1
81.03432	1.0
81.07075	0.7
81.98592	0.6
83.01323	0.6
84.04500	1.1
86.06045	0.8
89.16232	0.6
91.05441	0.8
93.03405	2.7
97.02887	1.5
103.05456	0.9
104.83324	0.6
109.02880	3.5
110.37436	0.6
111.00809	1.7
111.04447	9.4
117.07004	0.9
120.08089	0.7
121.02879	13.1
123.04417	1.8
125.02346	1.3
127.03929	7.1
128.08133	0.7
131.04877	0.7
133.02882	1.4
135.04454	0.7
139.03912	46.0
143.03392	1.7
145.02852	0.9
145.06519	2.3
147.04417	1.5
149.02353	59.8
150.03145	7.9
151.03911	3.9
153.01837	100.0
154.02620	0.6
155.03293	0.8
155.04890	2.2
161.06068	1.1
163.03883	3.3
167.03418	14.1
171.02797	0.9
173.05968	4.7
174.08727	1.5
177.01860	2.6
177.05478	1.6
179.03409	1.0
179.07025	1.8
183.04439	5.5
187.03961	1.1
191.03407	3.0
193.05072	0.9
195.02893	21.6
201.05478	7.9
205.04996	1.2
211.03989	0.6
215.11763	0.9
219.02951	7.5
219.06479	1.0
229.04985	20.0
233.04485	1.4
247.03476	1.4
247.06041	29.7
257.04486	7.5
261.04004	1.6
261.12509	1.1
263.05237	0.6
271.05896	0.6
271.72098	0.6
274.04785	1.6
275.05505	63.6
276.06155	0.8
285.03870	0.8
289.03510	0.7
303.05032	22.9
321.06076	13.4
321.15515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02769	2.4
70.06572	2.1
70.64069	3.4
70.64410	3.9
74.97954	1.8
82.99786	2.4
85.73852	1.9
86.09675	2.2
97.01434	2.1
101.00889	21.8
111.05553	2.5
111.27005	2.4
113.00842	6.5
115.02450	10.1
119.01923	16.8
119.92508	3.8
123.05523	3.6
123.73111	1.7
129.03915	2.7
129.16029	2.2
129.73576	2.0
131.01833	7.2
133.03468	10.7
141.06563	6.5
143.01859	8.9
145.03430	3.7
148.48483	1.9
155.01855	7.9
157.03439	3.2
159.04973	7.2
159.07632	3.3
161.02939	7.9
168.99812	3.7
171.01303	2.5
171.05067	11.7
173.02885	7.3
173.06566	3.2
187.00865	8.6
187.04471	3.0
189.06038	4.7
191.04059	4.2
196.99310	3.4
201.06203	3.4
203.04019	6.4
215.00371	11.6
219.07149	2.0
221.05034	11.1
224.59450	1.9
229.01958	10.0
231.07094	4.8
233.04907	5.4
245.05067	3.9
247.03011	18.6
249.08920	2.1
261.08243	13.3
279.09271	22.4
289.04227	1.9
321.09525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
53.65303	2.5
70.32513	9.8
81.04538	6.0
85.02873	6.1
95.06087	7.7
97.02891	3.6
111.05568	24.7
116.07090	3.4
123.05576	22.6
124.01425	2.8
141.06595	53.8
145.41374	3.0
159.07661	39.5
162.89731	2.7
220.57690	2.7
321.05832	13.4
321.09384	100.0
321.12363	6.2
322.05307	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	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	8.2
68.99794	1.0
70.97993	1.5
72.08163	1.1
79.05483	1.6
81.07065	3.5
84.04525	0.8
84.08157	1.4
91.05485	1.7
93.07076	1.4
94.06580	8.2
95.04978	1.2
95.08615	1.0
107.08627	1.3
109.02859	1.3
111.00799	0.9
111.08110	0.8
112.01109	0.9
118.06553	3.1
119.04945	1.7
122.06042	28.0
126.05539	1.0
130.06583	4.0
130.08661	3.9
132.08064	4.4
136.07587	60.8
137.02393	0.8
137.07903	0.8
137.63589	0.7
140.07062	1.3
144.08102	2.8
145.02888	1.1
146.06020	11.8
147.04407	5.9
150.05528	0.7
153.01826	3.2
154.02182	1.8
154.08667	0.9
155.02278	2.5
164.07085	100.0
165.01791	1.8
166.02257	0.8
172.09789	1.3
177.05501	2.3
182.08147	81.6
186.12723	0.9
188.07059	13.2
196.11147	1.1
203.65825	0.9
219.05473	2.0
223.44751	0.8
241.38528	0.7
242.11853	3.5
243.11382	1.1
245.04573	0.8
247.05045	2.4
259.14441	12.4
275.04468	2.2
303.04507	1.6
303.13416	2.0
303.17130	2.0
304.11780	1.5
321.05054	47.5
321.14606	1.4
321.18112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09863	0.6
55.05505	1.0
65.03957	1.0
66.98607	0.7
67.05511	8.8
68.99790	1.5
69.03409	1.0
70.72066	1.7
72.08147	0.7
81.07075	3.7
84.08150	1.7
85.02914	0.9
86.09695	0.9
91.05495	2.2
93.07093	1.1
94.06577	8.5
95.04994	1.7
105.07024	1.5
107.08582	0.8
108.08140	0.7
109.02900	0.9
109.06541	1.5
111.00822	1.6
117.77357	0.8
118.06548	3.4
119.04938	1.4
122.06038	31.8
124.07554	0.8
130.06551	5.3
130.08656	4.9
132.08096	4.0
135.08105	1.0
136.07588	61.9
137.02428	0.8
137.06015	0.9
139.03851	0.8
140.07060	1.5
144.08093	3.5
146.06018	11.4
147.04424	5.9
150.05632	0.8
153.01836	6.3
154.02209	2.8
154.08617	1.4
155.02339	4.2
164.07079	100.0
165.01833	1.6
166.02303	1.3
167.02367	1.8
168.06633	0.8
170.06038	1.2
172.09741	1.6
177.05467	2.6
181.04135	1.0
182.08142	78.6
186.12761	1.6
188.07085	12.1
205.04012	1.1
217.04935	2.0
219.05585	3.3
242.11810	3.3
243.11349	1.3
245.04536	1.2
246.04659	0.8
247.05063	4.1
259.14468	14.9
274.04080	1.0
275.04413	3.4
285.03864	1.3
285.12161	0.9
286.10919	1.2
292.04730	1.6
303.04739	2.6
303.10013	0.8
303.13452	1.7
303.16821	1.9
304.11981	1.6
321.05026	61.2
321.14551	1.6
321.18079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80730	0.7
55.01860	1.1
60.04524	1.8
61.01151	3.8
66.92918	0.8
67.05495	3.1
69.03424	1.9
69.07055	1.2
70.06593	3.5
70.40131	0.8
70.67793	2.2
72.04159	1.1
72.04525	16.3
72.08150	1.7
73.02927	1.6
74.06093	1.4
78.03791	8.2
81.03417	2.0
81.07047	1.4
84.04534	1.8
85.02875	0.8
85.06539	2.6
86.06068	2.6
86.09705	2.3
88.02203	3.9
91.05495	0.9
93.07052	1.3
95.04974	1.8
96.08112	0.9
97.02873	1.5
99.05592	3.2
102.03783	8.4
102.44120	1.0
103.02174	24.4
110.06030	1.3
113.06001	2.6
114.03789	6.8
114.05540	43.5
116.07063	1.1
118.06554	0.9
120.04814	22.8
120.08096	1.9
121.02847	1.2
121.06550	0.8
124.07601	3.0
129.10315	0.8
130.05023	1.1
130.06502	2.3
131.06384	3.7
132.04808	9.6
136.07594	1.0
137.02399	0.9
139.03831	1.6
142.08646	5.4
143.03372	2.7
145.02823	1.2
147.04449	1.0
149.02356	2.5
149.07452	18.8
150.02670	1.0
151.03931	1.0
151.52681	0.8
152.07050	2.3
153.01823	4.0
154.02271	0.9
156.61627	0.9
157.07628	1.3
158.06119	1.0
159.05832	7.6
160.09644	0.9
161.05994	1.5
162.05771	1.8
169.08694	0.9
173.07344	0.8
174.05803	4.6
174.08797	1.4
175.05379	1.9
175.08722	0.9
177.05505	2.1
179.07088	4.0
179.90976	0.8
184.09694	2.5
189.05464	2.2
191.08502	100.0
201.06886	2.3
215.08116	1.1
231.08472	1.7
233.04489	5.9
243.11443	1.2
247.06097	1.2
258.07523	1.0
259.08005	10.4
261.03925	3.5
261.12399	1.9
263.05533	1.1
267.11282	2.5
271.83887	0.9
275.05603	2.3
277.09000	3.7
277.11777	0.8
285.04135	1.7
285.12350	2.6
303.04953	4.0
303.08636	6.8
303.13748	37.7
307.88348	1.0
321.04926	8.5
321.08014	20.9
321.14447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.2
56.05032	2.4
57.03440	13.1
57.07063	2.0
61.41381	1.4
62.98592	1.4
66.46010	1.5
67.05499	2.7
69.03430	15.8
69.07056	6.0
70.06547	1.8
71.04972	1.9
71.53019	2.2
79.05482	4.5
80.04994	1.6
81.03407	2.4
81.07070	7.9
82.06578	2.6
83.08637	2.1
84.04511	15.6
85.02917	13.3
86.06090	2.4
87.04437	1.9
89.03922	3.5
91.05490	2.8
93.07068	7.6
94.06561	6.2
95.04945	2.7
95.08600	5.4
97.10185	19.6
102.05540	4.7
104.73368	1.5
105.07027	5.2
107.08588	5.0
108.08106	1.8
109.06485	2.6
109.10162	5.0
117.03401	14.2
117.07018	3.1
119.08594	8.1
120.08109	5.8
121.10136	3.8
122.09643	4.1
123.11706	1.8
125.09627	4.0
127.03912	5.7
130.05023	30.2
131.07274	2.1
131.08591	2.2
132.08090	8.1
133.10130	1.6
134.03661	1.7
134.09660	6.2
134.86397	1.7
135.11653	3.3
136.11224	19.0
138.09126	3.9
143.10709	7.4
144.08107	2.8
145.02853	37.5
145.08932	3.3
145.10065	2.2
146.09689	4.2
147.06813	2.5
147.08051	2.0
147.11690	2.6
148.07600	9.2
149.05978	5.8
149.13255	2.0
150.09155	10.7
157.10115	2.1
158.09674	9.2
159.10417	2.3
160.07570	4.7
160.11285	7.5
161.08368	4.5
161.09584	1.7
162.09113	3.4
173.08247	1.7
174.12808	9.1
175.11139	2.6
177.05489	68.0
178.08566	2.6
183.10454	2.5
184.11211	2.9
186.09134	2.9
188.10687	6.5
189.11310	1.9
190.12320	1.4
191.13039	2.4
192.06564	4.3
192.13847	58.0
193.14166	2.2
194.08072	4.1
202.12291	11.4
204.10225	17.0
205.07274	2.8
206.08165	21.9
207.15738	2.9
212.14400	3.0
216.10202	4.6
216.13843	2.4
222.18584	2.6
223.18875	3.7
230.11823	3.7
230.15387	10.9
232.09700	3.8
233.08257	1.9
234.11288	20.1
240.13766	4.2
247.14467	3.2
248.12833	5.7
250.10815	18.9
257.16513	3.5
258.14938	29.6
262.10757	44.5
265.15421	4.4
275.17529	13.2
275.23615	1.8
276.15936	5.9
279.13342	1.7
286.14380	6.6
292.07297	4.3
293.08002	2.0
303.16876	4.3
303.22897	2.6
304.15448	70.8
321.10266	6.4
321.18106	100.0
321.23911	3.5
321.26749	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	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64005	0.5
53.03936	0.6
55.05507	1.8
60.04554	0.6
60.14098	0.5
67.05502	2.4
69.03086	0.8
69.03434	10.4
69.07076	3.1
70.17250	1.8
72.04502	0.7
79.05505	2.0
80.69818	0.5
81.03423	0.9
81.07059	3.7
83.08606	0.8
85.06513	0.5
86.09710	98.5
89.03908	3.1
91.05482	1.7
93.07037	3.3
95.04984	2.5
95.08614	3.6
97.02940	0.8
97.06516	1.6
97.10178	1.8
99.04449	0.8
103.05475	4.1
105.07037	2.0
107.04947	1.4
107.08621	3.6
109.02880	0.7
109.06539	0.9
109.10123	3.1
111.11739	0.6
117.03396	8.4
119.08593	1.5
120.08112	100.0
121.06563	0.6
121.10162	3.0
123.11720	1.2
125.09591	0.6
127.03915	3.6
128.10724	54.3
131.04933	2.1
131.08601	1.3
133.10150	1.1
135.04459	0.6
135.11668	0.9
145.02855	22.2
145.10158	1.8
147.11693	1.5
149.05981	5.3
149.13298	0.9
156.10208	14.4
159.11751	1.2
161.13261	0.5
163.03877	0.6
163.11241	0.7
165.12782	0.9
166.08650	68.7
177.05479	49.4
178.05862	0.8
186.05508	0.6
189.05666	0.7
201.16412	0.6
207.15694	0.8
275.23788	0.7
283.23761	0.5
285.22134	0.6
291.26617	0.6
303.23145	2.5
321.09702	5.2
321.24002	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.4
57.03429	2.6
57.07062	6.3
59.04993	4.0
67.05515	13.8
69.03437	11.5
69.07079	11.9
69.49378	13.8
70.06568	2.3
71.04996	5.1
79.05495	11.4
80.61903	1.9
81.03400	3.9
81.07062	23.5
83.04990	4.5
83.08633	3.5
85.06517	6.4
91.05511	9.4
93.07043	20.5
95.04980	9.6
95.08613	27.3
97.02888	2.1
97.06529	8.1
97.10160	8.6
98.20821	2.0
99.08048	1.9
105.07040	20.3
107.08588	21.1
108.05678	2.2
109.06524	10.9
109.10168	15.5
111.11687	4.7
113.06023	2.5
117.03349	3.8
119.08580	13.8
121.06535	3.3
121.10135	22.0
123.08086	44.2
123.11727	5.7
127.03933	2.8
129.06981	2.0
131.08585	9.8
133.06461	2.0
133.10132	12.9
135.08020	4.7
135.11684	7.6
137.05963	4.9
137.09613	4.6
137.13173	2.1
139.11176	6.1
141.09094	5.9
143.08626	4.1
145.02863	10.4
145.10112	11.2
147.08113	2.9
147.11697	7.4
149.09651	4.1
151.07553	100.0
151.11134	3.0
155.10683	2.0
156.09293	2.0
157.10112	5.2
159.08054	4.1
159.11646	4.3
161.09618	5.8
161.13245	3.8
163.11180	7.3
164.29359	2.0
165.09106	3.3
165.12782	3.0
171.11693	3.5
173.09686	3.0
173.13245	5.4
175.11169	8.2
177.05489	23.7
177.09152	2.0
179.10684	1.9
183.11644	2.0
185.13040	2.2
187.14896	2.1
189.12778	27.5
191.14203	1.9
192.11490	4.1
194.11121	2.1
197.11707	4.5
207.13815	67.6
211.14793	2.6
214.85251	1.9
222.18620	4.5
223.18758	4.2
227.14554	2.2
233.15381	5.1
247.13312	1.8
257.15366	2.7
275.23480	2.1
285.18503	4.9
285.22192	2.4
303.19528	10.2
303.23169	20.3
304.16302	3.5
321.11014	3.9
321.17273	3.0
321.20755	50.4
321.24249	13.7
321.26508	8.1
322.20709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05515	4.6
57.03430	0.6
57.07060	2.4
58.71167	0.6
59.53492	0.6
67.05519	3.9
69.07060	4.4
71.08632	1.7
79.05498	2.7
81.07069	5.4
83.05000	0.8
83.08611	2.7
85.06530	1.9
91.05470	1.9
93.07037	4.5
95.08620	6.5
97.10162	1.2
98.20732	1.7
101.06060	0.7
105.07020	2.1
107.08601	3.8
109.06522	10.8
109.10143	2.4
111.08096	1.3
117.07044	1.2
119.08578	2.5
121.06537	1.1
121.10134	2.8
122.07270	1.2
123.08070	42.6
123.11723	0.9
133.10095	2.1
135.08080	4.8
137.09619	2.2
145.10100	1.9
145.22261	0.7
147.11729	1.3
149.09630	1.4
149.13235	0.9
159.11649	0.9
161.13351	1.0
163.14713	0.8
179.14322	47.5
184.33949	0.6
201.16383	0.7
216.41423	0.7
229.13185	0.9
251.16386	0.7
265.17993	10.2
299.91934	0.7
303.23148	2.8
321.24249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.107
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
56.05031	2.6
57.98809	0.9
58.99590	19.8
62.86715	0.7
70.06601	1.0
70.56380	2.1
76.02232	100.0
80.05041	1.6
83.06098	1.1
84.04508	41.4
85.02898	1.6
86.99046	3.7
88.02195	3.2
90.05560	38.8
99.05614	0.6
102.05558	1.0
114.03782	1.2
116.01683	27.1
124.02246	1.1
127.03925	2.9
130.03334	1.2
130.05014	14.0
141.04901	1.3
142.03223	10.7
144.01154	25.3
154.87631	0.7
155.03427	1.2
158.02727	1.4
161.03854	1.7
170.02748	2.1
175.26227	0.6
176.03783	33.8
177.28493	0.7
182.42017	0.7
187.05357	3.7
193.06442	55.9
215.04915	3.0
233.05913	24.7
259.07495	2.3
287.05389	0.8
304.09637	1.7
305.07996	1.6
322.10699	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	322.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69548	0.2
52.84921	0.2
55.05510	0.3
56.05035	0.3
58.99576	1.0
65.03938	0.4
69.03419	0.3
70.06593	5.6
70.63692	0.5
70.64037	0.4
70.97675	0.2
71.01823	0.2
72.08149	1.4
76.02233	5.7
79.05487	0.4
81.03442	0.3
81.07078	0.4
84.04507	3.1
84.08125	0.9
85.02888	0.4
86.09708	0.8
90.05566	2.5
91.04908	0.3
91.05480	6.4
97.06567	0.3
102.05533	0.3
105.03384	0.6
110.07154	0.6
113.07146	4.2
114.05548	0.4
115.08672	0.8
116.01661	1.7
116.07114	0.4
119.04951	20.4
119.08627	0.2
120.08099	2.2
123.04490	0.3
125.05965	0.2
129.10199	0.3
130.04996	0.8
139.03914	0.8
142.03206	0.5
143.07143	0.4
144.01149	1.3
145.02879	0.9
147.04416	100.0
148.04828	0.7
153.01875	0.3
156.07718	0.5
159.07660	8.1
160.03699	0.3
167.07034	0.3
176.03737	1.9
176.07124	0.5
176.10320	5.3
177.05443	1.3
181.09648	0.3
190.09761	0.4
193.06432	3.2
209.05676	0.3
219.14958	0.6
223.10793	0.3
233.05872	1.3
256.10956	0.4
304.09625	0.3
305.11353	3.6
319.21240	0.3
322.10181	0.4
322.13940	0.9
323.12485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01876	4.2
55.05514	3.5
57.03436	6.0
57.22790	1.3
58.99587	1.1
67.05507	8.8
67.06567	1.2
69.03433	6.0
69.07067	5.0
70.06584	3.0
71.01341	2.1
73.02914	1.4
79.05502	20.8
81.03420	1.7
81.07058	31.2
83.04989	2.6
84.04496	2.1
84.08146	1.8
85.02903	6.5
86.09647	1.8
87.03275	1.2
88.12065	1.4
88.91365	1.1
91.05467	9.4
93.07039	7.1
95.01323	10.3
95.04993	6.1
95.08620	2.5
97.06540	15.2
105.07006	2.2
107.04967	4.0
107.08607	2.7
109.06525	19.7
109.10138	1.4
111.04452	3.0
111.08105	2.4
113.02370	2.1
117.06993	3.8
119.04976	3.4
119.08614	6.6
121.06529	3.7
123.04445	2.7
123.08099	2.5
125.05999	3.6
127.03934	1.4
129.07001	4.0
131.08627	3.8
133.06447	1.2
135.08051	4.0
137.06013	3.0
139.03911	7.9
139.07520	3.0
139.54315	1.2
141.01865	2.4
141.05504	1.2
145.06491	2.8
147.04407	3.4
147.08044	8.0
148.04817	1.5
149.05969	3.0
151.07597	1.7
155.07024	3.6
159.02864	1.3
161.06006	1.8
163.07562	8.9
163.62444	1.2
165.09122	18.0
167.07079	2.9
173.05954	1.8
173.11790	3.0
175.07581	3.3
181.08565	7.1
183.10156	3.3
191.07062	3.3
193.06715	2.5
193.08627	18.5
197.04478	4.4
199.09668	11.9
201.03792	1.2
209.08110	9.0
211.09692	10.4
219.06563	2.0
227.09163	8.9
237.07651	6.0
241.10725	1.7
255.08653	100.0
269.10199	3.4
273.09689	5.0
287.11230	1.9
304.19186	1.4
322.16348	1.6
322.20251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13264	1.4
55.05517	2.5
57.03427	2.3
59.04993	2.4
67.05507	38.0
68.99802	1.7
69.03442	2.3
69.07067	2.3
69.36430	9.7
71.04981	2.1
75.77699	1.3
76.02218	1.5
79.05481	3.7
81.07050	9.4
83.04932	1.5
83.08604	3.8
83.36365	1.2
84.04496	1.4
86.44848	1.2
87.00840	3.0
91.05474	4.4
93.07040	4.0
95.08611	2.2
97.06521	1.5
107.08601	1.8
109.06500	2.7
109.10163	54.2
111.08070	1.7
119.08576	7.9
125.06041	2.4
137.09622	4.6
139.03934	1.6
147.08044	4.2
155.10680	32.6
155.30812	1.3
158.77986	1.4
163.07555	2.5
165.09134	1.6
173.11745	100.0
175.07539	1.3
193.08607	7.0
199.09703	1.7
209.08102	4.8
211.09695	1.8
234.37547	1.3
255.08665	5.5
260.14624	2.2
269.10223	49.3
287.11310	16.7
290.61264	1.5
322.14301	1.9
322.24255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1651
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
51.60066	1.1
55.05515	4.1
57.03437	10.6
66.28858	1.2
69.07094	1.1
71.52833	2.0
76.02234	1.6
77.71144	1.1
79.05508	1.5
80.05016	2.2
84.04507	3.7
85.02912	17.0
85.84874	1.0
91.05486	2.4
93.07061	3.4
94.06584	8.6
105.07065	1.9
106.06628	1.4
107.08601	2.5
108.08102	1.3
117.07032	2.2
118.06537	1.8
119.08607	2.9
120.08084	6.2
122.09680	2.8
131.07391	1.7
132.08115	5.1
134.09663	10.6
135.10521	1.5
136.11212	3.3
138.09143	2.8
144.08084	1.3
145.08965	2.7
146.09666	2.7
148.07556	5.2
150.09190	3.5
157.10091	1.1
158.09683	4.1
160.07616	1.2
160.11246	4.7
161.08418	1.7
172.11296	1.5
174.09088	1.4
174.12781	8.5
175.11128	1.2
176.10727	1.5
178.08673	3.2
186.09201	4.3
188.10767	3.2
191.13135	2.7
192.06564	2.3
192.13858	10.3
193.06435	1.6
193.15894	1.6
194.08136	3.2
202.12323	6.3
204.10207	10.8
205.07578	1.3
206.08133	10.9
206.11755	1.6
212.14287	1.1
216.10255	1.4
216.13753	2.6
220.13336	6.6
224.09224	4.3
224.20285	1.1
230.11813	1.8
230.15440	6.3
232.09708	3.7
234.11263	10.7
248.12775	4.7
250.10759	11.6
252.12384	3.4
258.14865	14.6
262.10782	14.0
266.13889	7.7
276.15948	21.6
280.11880	4.9
286.14468	1.7
304.15497	21.8
322.16504	100.0
322.27301	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	322.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75590	0.5
55.05515	1.1
60.25892	0.5
61.02922	0.6
67.05516	0.6
69.03440	1.7
70.06599	4.2
70.64821	1.5
72.08150	1.5
76.02233	0.9
79.05499	3.7
81.03409	0.7
81.07074	2.7
83.04993	3.2
83.08626	1.7
84.04508	1.4
84.08140	1.4
85.02925	5.1
86.09702	1.7
91.05489	1.9
97.02904	1.6
104.05386	0.5
105.07031	0.9
107.08608	52.1
109.02874	0.5
110.45110	0.5
112.56877	0.5
120.08128	2.1
125.09645	100.0
127.03894	0.6
129.10228	0.7
139.03958	0.7
140.04242	1.0
142.06676	0.6
143.10704	0.5
143.25507	0.5
145.02820	0.8
145.04947	1.1
146.05974	0.5
147.04471	1.1
148.04825	1.1
150.02760	1.1
153.01805	1.1
160.07594	3.4
161.05942	0.5
177.05463	0.9
276.06003	0.7
299.00851	0.4
322.06342	0.6
322.12997	1.2
322.18817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16564	1.0
53.03936	1.0
55.05513	5.2
58.82000	1.0
62.06098	100.0
65.03940	1.5
67.05514	17.2
69.07084	5.6
69.25281	8.6
72.97236	0.8
76.02245	1.5
79.05505	15.1
81.07066	16.4
83.05052	0.9
83.08633	0.9
91.05493	5.4
93.07060	13.8
95.04984	1.6
95.08630	11.1
105.07049	2.9
107.08626	7.4
109.10162	4.6
117.07013	1.5
119.08605	2.6
121.10167	4.5
122.68192	0.9
123.11754	2.0
131.08556	1.4
133.10136	1.7
135.11699	3.1
145.10158	1.8
147.11703	1.5
149.13287	2.8
173.13333	1.2
261.22131	1.7
305.24792	26.8
308.73248	1.0
322.23682	1.6
322.27438	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52877	3.1
70.78137	6.8
79.51436	3.1
94.93002	9.4
112.89667	3.5
211.14229	3.1
230.92245	4.7
248.89676	13.4
257.76193	3.5
322.97003	10.9
323.07391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69432	0.3
51.08511	0.3
53.86185	0.3
54.91467	0.3
55.05509	0.8
56.75386	0.3
56.96562	0.3
57.03438	0.4
58.94474	0.3
65.03937	0.9
67.05525	0.7
68.99777	0.7
69.03429	1.3
69.07077	1.6
71.01350	3.1
71.04995	0.4
71.53197	0.7
79.05495	0.8
81.03426	0.6
81.07053	2.7
83.04987	0.5
83.08619	0.4
85.02895	1.0
85.06558	0.6
91.05489	9.4
93.07054	1.5
94.04206	1.6
95.04980	0.7
95.08612	2.1
96.43653	0.3
97.02902	2.4
99.00830	0.3
103.05529	0.5
105.07041	2.0
107.04963	1.5
107.08611	1.4
109.02891	0.3
109.10148	1.5
115.05486	0.6
117.07035	0.8
119.04951	25.4
119.08586	0.5
121.02837	1.0
121.10091	0.7
123.04433	0.8
123.11723	0.8
128.06242	0.9
129.07014	0.5
131.04919	3.8
131.08598	0.4
132.05714	5.2
133.06490	4.5
133.10100	0.7
134.03615	0.6
135.08092	0.4
135.11734	0.8
141.01866	0.7
141.07016	1.7
144.05733	0.5
145.06487	2.9
145.10152	0.4
146.07272	0.7
147.04417	100.0
147.11739	0.6
148.04756	0.4
149.05983	0.7
151.11224	0.5
157.06516	4.7
159.04439	0.6
159.08031	0.6
160.05206	1.1
161.05986	1.1
165.05487	0.5
169.06491	1.6
173.06007	2.7
174.06798	3.6
175.03938	1.3
177.05444	3.8
184.05270	0.4
185.05994	2.9
187.07550	2.4
189.05539	1.2
197.06053	1.3
201.05469	1.8
202.06259	7.7
203.07063	3.3
213.05493	5.1
215.06985	2.3
225.05615	0.5
230.05757	35.9
231.06541	4.1
241.04980	4.2
243.06540	7.0
252.12376	0.4
255.99741	0.4
259.06015	5.1
261.07620	3.6
269.04480	7.7
277.07190	0.4
287.05487	1.8
305.06668	1.2
305.24692	0.6
323.07599	3.3
323.18536	0.7
323.25961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79559	0.3
55.05509	0.9
67.05517	0.7
69.03427	1.1
69.07069	0.3
69.42229	2.6
69.71249	0.3
70.06583	0.4
80.18230	0.3
81.07061	1.1
82.53187	0.3
83.04991	2.5
85.02918	0.7
89.03922	4.0
91.05507	0.6
93.07049	0.6
95.08620	0.6
97.02910	0.4
99.04445	0.4
102.72144	0.3
103.05457	0.4
103.55566	0.3
105.07052	0.4
107.08562	0.3
109.10168	0.5
110.35184	0.4
111.04440	3.0
117.03389	19.9
119.08597	0.4
121.10171	0.4
123.11736	0.5
129.05463	0.3
131.04990	0.3
134.03638	1.3
135.04456	0.9
137.06000	6.2
145.02856	55.6
146.03256	0.4
147.04379	0.3
149.05991	6.9
158.06047	0.4
161.05934	0.4
163.03897	0.6
165.95467	0.3
168.23949	0.4
168.57704	0.3
175.07584	0.5
177.05481	100.0
178.05827	0.5
183.08066	0.3
186.05470	1.9
189.05461	0.8
205.41585	0.3
207.06500	0.4
210.97049	0.3
217.08774	0.7
219.06538	0.8
224.20079	0.7
225.20416	1.1
231.06529	6.0
247.06042	2.7
287.09189	0.9
305.10233	11.0
323.11520	0.5
323.27789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63200	2.2
54.65786	2.7
55.01877	11.8
55.05514	5.6
57.03445	3.8
57.28063	2.2
65.96239	2.0
67.05515	6.7
69.03436	13.9
69.07053	6.0
70.06579	2.4
71.01351	2.4
71.04995	6.5
71.09322	3.4
71.09669	2.9
73.02931	3.6
79.05492	12.4
81.03433	7.4
81.07057	38.4
83.04988	3.3
83.08626	3.6
84.04505	3.6
85.02908	18.1
89.03934	5.3
91.05491	7.0
91.12728	2.2
93.07047	9.7
95.01342	16.4
95.04990	7.4
95.08601	11.4
97.02911	4.9
97.06532	6.5
99.04453	3.5
101.02398	17.5
105.07034	15.9
107.04988	3.4
107.08605	5.5
109.02900	6.6
109.06533	8.0
109.10138	3.2
111.04390	2.5
111.08088	8.6
113.09652	6.1
115.03948	5.3
117.03412	8.6
121.06528	9.4
123.04447	10.7
123.08083	18.1
125.02397	3.2
125.06012	4.8
127.03917	14.8
127.07546	19.2
127.11222	2.4
130.05006	6.7
133.06508	8.3
135.04440	19.1
135.08064	7.0
137.06027	7.0
139.07547	15.6
141.05478	3.9
141.09096	2.9
145.02849	10.5
147.08080	4.2
149.05957	3.0
151.07564	16.4
152.14368	7.7
155.03412	16.5
163.03909	100.0
163.05258	5.2
165.09123	12.0
167.07033	9.3
169.08604	14.9
172.01419	2.2
177.09114	3.3
178.30261	2.8
179.07065	30.5
181.08617	11.1
183.06740	3.3
183.10170	9.2
187.09712	2.6
187.42084	2.4
191.07083	4.6
193.08601	9.0
195.10194	3.9
196.16991	2.8
197.08018	2.7
199.09700	5.1
201.11182	5.6
211.09686	52.6
211.11549	4.7
218.05406	2.4
223.09642	7.1
229.10739	10.2
239.09169	41.6
242.49765	2.4
243.12340	21.1
253.10724	3.9
254.94724	2.4
257.10196	12.8
271.11765	71.8
281.18704	3.3
289.12949	13.0
323.79510	3.0
325.21136	7.9
332.85373	2.8
333.20840	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	324.196
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03946	0.6
53.49937	0.2
55.01883	0.2
69.03403	0.3
70.78072	0.5
77.03947	0.2
79.05495	12.9
84.04517	0.3
91.05481	0.5
93.07059	0.9
95.04971	0.5
103.05470	29.3
105.04514	0.2
105.07038	2.1
107.04957	17.3
118.06539	4.7
119.07246	0.2
121.06508	0.7
130.04991	0.3
131.04933	9.3
132.08110	0.9
133.08867	0.4
134.09654	0.4
135.04420	0.2
145.02866	0.2
146.09677	1.3
147.10359	0.2
149.05969	0.7
160.11249	1.1
163.03897	2.2
175.06300	0.3
176.14351	41.9
177.03314	0.6
177.14734	0.4
189.15077	0.6
204.10094	0.3
205.88443	0.3
221.14128	0.2
233.14180	0.7
266.11810	0.6
278.66232	0.2
294.14938	0.2
323.67758	0.3
324.19574	100.0
325.19769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.196
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03943	0.5
55.72558	0.1
55.98329	0.1
60.21588	0.1
61.27521	0.1
69.29925	0.3
69.30326	0.8
77.03928	0.1
79.05500	14.9
91.05495	0.4
93.07046	1.2
95.04977	0.5
98.67643	0.1
103.05476	33.5
105.04511	0.3
105.07043	2.3
107.04962	18.9
117.05777	0.1
118.06552	4.2
119.07341	0.2
121.06525	1.0
130.05017	0.1
131.04941	11.0
132.08095	1.7
133.08891	0.9
134.09673	0.3
145.09050	0.1
146.09644	1.7
147.10449	0.2
148.11107	0.2
149.05963	0.6
151.01732	0.1
158.09685	0.2
160.11214	0.7
161.11960	0.2
163.03909	0.3
176.14360	43.8
177.14728	0.2
189.15135	0.4
190.08640	0.2
218.11780	0.1
232.13493	0.1
233.14087	0.5
275.22440	0.1
280.13321	0.4
294.14914	0.3
324.19589	100.0
325.19907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03926	0.4
55.01848	0.3
55.05514	0.3
57.78253	0.3
61.02914	0.2
63.02389	0.3
65.33434	0.2
67.05507	0.3
69.03429	9.6
69.07072	0.4
69.42036	1.6
69.42457	0.5
71.05002	0.5
79.05489	1.1
81.03439	0.2
81.07055	0.7
89.03917	4.1
91.05467	0.9
93.07027	0.4
95.08599	0.8
97.02887	0.9
98.21524	0.5
99.04475	0.3
105.03386	0.3
105.07011	0.6
107.04960	1.4
107.08606	0.5
109.02904	0.4
109.06528	0.2
109.10175	0.3
117.03388	7.0
119.08584	0.6
121.10107	0.4
127.03936	4.5
129.07005	0.4
133.10143	0.5
135.04419	14.7
145.02847	10.7
145.04012	0.3
161.13318	0.3
163.03906	100.0
164.04236	0.6
181.05009	0.7
186.05534	0.4
254.63394	0.3
275.20081	0.9
307.08054	2.4
325.09509	1.4
325.21790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
59.55704	0.3
60.36403	0.3
61.02924	0.6
68.95732	0.3
69.03435	9.9
69.95551	0.7
69.95955	0.9
79.05494	1.0
81.03417	0.5
85.02902	0.5
89.03918	4.3
91.60932	0.3
95.04976	0.3
97.02888	1.4
107.04960	1.4
109.02885	0.7
111.67297	0.3
117.03394	8.3
127.03932	4.9
135.04433	13.7
145.02869	12.5
145.04004	0.8
163.03918	100.0
164.04211	0.7
181.04953	1.0
181.06419	0.4
183.85135	0.3
307.08112	2.1
325.09036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
60.64926	0.3
61.02931	0.4
69.03434	9.4
69.77660	1.2
69.78075	0.8
79.05495	0.8
81.03374	0.3
81.61802	0.3
85.02901	0.5
89.03921	4.4
95.04950	0.4
96.14523	0.3
97.02866	0.8
105.23441	0.3
107.04959	1.6
107.08575	0.5
109.02899	0.6
117.03391	7.3
121.02876	0.7
127.03930	4.1
130.04977	0.7
135.04422	15.4
145.02847	11.5
145.03989	0.6
163.03908	100.0
164.04234	0.9
181.04956	0.5
242.84697	0.3
264.12750	0.3
267.65390	0.3
307.08258	2.1
325.09097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.2
67.05534	0.2
68.93786	0.2
69.03440	9.6
69.91421	0.2
70.86828	0.3
70.87142	0.2
79.05486	1.0
81.03421	0.2
87.14398	0.2
89.03928	4.5
93.21654	0.2
93.68642	0.2
95.08636	0.2
97.02905	1.3
99.04462	0.3
107.04970	1.4
109.02875	0.6
113.22380	0.2
116.96112	0.2
117.03392	7.1
118.66955	0.2
127.03931	4.5
127.71197	0.2
130.04958	0.2
130.44186	0.2
135.04437	13.7
142.09129	0.2
145.02866	11.9
147.04448	0.3
149.13176	0.2
161.05971	0.2
161.56839	0.2
163.03925	100.0
164.04277	0.5
181.05000	0.7
219.06593	0.3
228.49931	0.2
247.05957	0.3
260.22330	0.2
284.61160	0.2
289.21509	0.2
307.08115	1.9
325.09293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03435	0.3
60.53720	0.2
61.02917	0.7
63.02385	0.3
69.03438	8.2
70.68673	0.6
70.69049	0.2
76.55652	0.2
79.05501	0.8
81.03452	0.3
85.02912	1.0
89.03922	4.1
94.06532	0.2
95.66750	0.3
97.02895	0.9
99.04453	0.5
99.84599	0.2
107.04949	1.7
109.02882	0.4
116.16064	0.2
117.03397	7.0
117.09139	0.7
127.03937	4.7
135.04430	13.2
145.02863	11.0
145.04019	0.5
145.07626	1.3
150.05499	1.0
163.03923	100.0
164.04280	0.8
181.05008	1.4
186.05829	0.3
204.80688	0.2
218.06027	0.2
218.79460	0.2
307.08163	1.9
325.09232	2.1
325.13931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.65067	0.2
57.65242	0.2
61.02915	0.2
62.01544	0.3
63.02409	0.3
65.98370	0.2
69.03435	9.5
69.41393	1.2
69.41813	0.9
79.05488	0.9
85.02912	0.3
89.03922	4.2
97.02888	1.0
107.04969	1.8
109.02888	0.4
117.03379	7.9
127.03001	0.3
127.03924	5.3
135.04422	14.6
145.02859	13.0
145.03810	0.3
154.38252	0.2
163.03912	100.0
164.04204	0.4
176.67735	0.3
180.61391	0.3
181.04991	0.8
214.05128	0.3
280.19290	0.3
307.08096	2.5
325.09454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.00806	0.1
55.01863	0.2
55.05485	0.1
56.30176	0.1
57.03415	0.2
57.58606	0.1
61.02935	0.9
63.02365	0.2
63.64165	0.1
65.15499	0.1
69.03433	6.4
69.07072	0.2
69.92591	0.2
69.94431	0.7
79.05498	0.8
81.03403	0.2
81.07048	0.3
85.02898	0.4
89.03918	4.1
91.05488	0.2
93.07072	0.1
95.04962	0.1
97.02894	0.7
97.23789	0.1
103.40958	0.1
107.04965	1.4
109.02891	0.5
117.03385	6.6
127.03922	3.3
135.04419	13.5
145.02849	11.6
146.03284	0.1
159.26863	0.1
163.03905	100.0
164.04253	0.8
168.77698	0.1
181.04932	1.1
186.05547	0.2
201.05475	0.2
203.07091	0.2
247.05983	0.2
307.08096	1.3
314.89328	0.1
325.09201	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01877	1.9
57.03439	3.5
58.99588	0.3
61.02910	1.7
65.30051	0.4
69.03433	23.0
69.36215	3.3
70.06581	0.6
71.01352	0.7
71.04993	5.7
73.02908	1.1
76.25499	0.4
79.05478	0.9
81.03423	19.1
84.04479	0.7
84.08129	1.2
85.02905	2.6
86.09704	0.6
87.04486	0.8
89.03926	3.6
91.05465	1.6
93.07049	0.5
97.02895	0.9
99.04462	7.3
102.05551	0.5
107.04955	1.2
108.08099	1.2
109.02833	0.6
116.04940	0.7
117.03391	5.6
117.05497	1.5
117.07050	0.5
118.06551	3.7
127.03921	3.8
130.05006	2.4
135.04416	10.5
135.11671	0.4
145.02861	11.1
145.04816	0.5
145.06496	1.0
145.07602	6.6
147.04373	0.4
147.09175	7.6
150.12782	0.6
152.14336	3.6
161.07039	0.5
162.07927	0.9
163.03909	93.4
163.08675	1.2
164.04250	0.6
165.84764	0.4
173.07112	12.1
175.08678	6.3
178.15993	0.5
181.04936	0.9
181.19518	0.4
187.08698	0.5
190.07304	0.4
191.08162	100.0
192.08388	0.6
205.09747	0.8
215.11781	0.6
224.86227	0.4
231.11212	0.6
233.09181	1.3
234.99001	0.8
271.10724	0.9
281.18643	3.3
289.11765	1.7
307.12888	35.6
308.13110	0.6
325.03540	1.3
325.09409	3.1
325.13943	33.3
325.20856	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.40392	0.3
53.03949	2.2
53.10345	0.3
55.01881	2.7
57.03441	2.8
59.04995	0.4
61.02930	0.7
69.03432	17.9
70.15366	1.4
71.01331	0.5
71.04996	4.9
73.02900	0.9
81.03420	16.5
81.07078	0.6
84.08131	1.5
85.02883	0.6
86.09707	1.7
87.04452	0.4
89.03905	1.2
91.05474	0.7
99.04457	5.8
106.05131	0.4
108.00500	0.4
109.02876	0.4
116.05009	0.5
117.03411	2.7
117.05518	1.8
118.06555	4.1
120.08096	1.3
127.03912	1.6
129.10239	1.8
130.05005	0.3
135.04437	4.3
137.22655	0.4
139.87524	0.3
143.11786	1.0
145.02872	3.7
145.07619	7.5
147.09166	7.2
152.14343	0.4
162.07906	1.0
163.03912	32.9
163.08672	1.3
164.04211	0.4
173.07112	12.3
175.08699	5.7
181.04968	0.4
187.08691	0.5
191.08160	100.0
194.45361	0.4
199.02350	1.1
203.08232	0.4
213.10326	0.5
215.11948	0.4
226.34689	0.4
233.09218	1.0
282.16949	0.6
289.11749	1.5
297.55103	0.4
307.12894	37.7
325.13943	33.6
326.19641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.85049	0.3
54.31637	0.2
55.01870	0.3
57.03432	0.5
69.03432	1.7
70.22569	1.0
73.02952	0.3
85.02907	2.6
91.05453	0.5
97.02917	1.3
98.95157	0.3
102.94370	0.3
115.26972	0.3
117.05753	0.3
118.06561	3.5
118.96449	0.3
127.03899	1.9
133.07635	3.3
135.04393	0.5
145.07616	100.0
146.08400	2.0
147.09172	0.8
154.04765	0.3
163.03951	4.2
163.08676	55.2
290.57272	0.3
325.13947	86.1
326.14374	0.7
334.31229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
56.40249	0.2
69.32746	0.5
69.33158	1.5
102.04153	0.2
158.96181	0.2
163.03957	1.3
222.06837	0.3
233.09685	0.2
235.07573	2.3
236.08350	0.8
239.07045	0.6
248.08339	3.5
249.09079	2.6
250.06209	1.4
262.06357	0.4
263.07047	51.9
264.07825	1.8
265.08566	4.1
275.10599	3.0
277.08612	9.0
278.09366	0.9
279.14041	0.3
281.08099	0.6
283.13333	1.8
290.66113	0.3
291.10483	0.3
307.13303	76.0
308.13651	0.7
309.11191	1.0
325.14352	100.0
326.14725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36565	0.6
55.05497	1.2
57.03408	1.5
58.27187	0.9
68.05002	1.2
69.03435	5.5
70.06593	0.8
71.16380	0.9
71.16721	1.0
79.05481	1.5
81.07037	1.3
82.06561	1.0
84.04053	0.8
84.04503	9.1
84.08123	1.3
85.02434	1.1
85.02906	12.9
86.06075	5.7
86.09692	0.8
87.04442	0.9
89.03920	3.9
91.05477	1.0
93.07061	5.4
95.01319	1.3
95.08607	1.0
95.25653	0.6
96.08103	1.7
97.02863	0.9
102.05561	7.0
102.92464	0.7
107.04939	1.5
107.08568	2.2
108.08123	42.0
109.08931	0.8
110.09660	3.2
112.03932	1.1
117.03382	5.7
122.09654	2.9
123.10439	2.0
127.03894	3.1
130.05005	61.4
134.09637	1.6
135.04414	9.6
135.11703	4.2
138.09099	1.1
145.02847	8.6
145.06520	0.8
147.09157	1.4
150.12784	12.3
151.13567	2.0
152.14345	90.9
154.15910	4.2
163.03908	81.6
178.15871	2.2
181.04939	1.3
191.08156	1.8
193.13242	0.8
196.16965	22.8
197.55612	0.7
218.15379	0.9
235.18080	2.8
236.16176	0.9
255.20177	0.9
264.15948	12.7
266.17419	1.0
279.20709	0.8
281.18594	100.0
283.20203	2.5
308.18585	2.2
325.09256	2.7
325.21216	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.9
55.75888	0.7
56.05013	0.7
60.77724	0.8
63.87179	0.8
65.27299	0.9
68.05022	1.3
69.03433	10.0
69.07037	1.0
69.74010	4.5
71.75809	0.9
79.05473	2.4
80.05038	1.5
81.03420	1.1
81.07037	2.3
84.04514	9.7
84.08144	1.4
85.02439	1.3
85.02906	17.3
86.06084	5.9
89.03936	4.1
93.07043	3.4
95.08596	0.9
96.08121	1.0
97.02877	2.2
98.06065	1.6
98.20729	1.2
102.05551	7.5
107.04980	1.6
107.08613	2.1
108.08124	33.7
109.02887	1.3
109.10180	0.8
110.09676	2.4
117.03422	6.3
121.10131	1.0
122.09675	1.9
123.10482	1.3
124.71982	0.9
127.03941	5.2
130.05014	65.0
133.10091	1.4
134.09676	1.2
135.04431	12.6
135.11658	4.5
143.87666	0.7
145.02855	8.6
145.04964	1.8
150.12779	9.0
151.13527	2.0
152.14351	74.5
154.15933	3.3
155.11794	0.8
163.03914	100.0
178.15938	2.3
185.68040	0.9
193.13266	1.1
196.16986	26.4
199.02429	1.8
220.95609	0.8
235.18124	2.7
236.16469	1.1
264.16010	9.8
266.77628	0.8
281.18607	61.1
307.08197	1.9
308.18460	3.8
325.09201	3.0
325.21234	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77417	0.4
55.05511	1.1
56.29844	0.4
57.03420	1.1
67.05511	1.0
68.05020	0.8
69.03438	1.2
69.07052	0.9
69.40924	1.0
69.41324	2.8
70.06573	0.8
72.08136	0.5
73.88934	0.4
76.13019	0.4
79.05508	2.3
80.05019	1.9
80.67673	0.4
81.03413	1.2
81.07070	1.2
83.08644	0.8
84.00611	0.4
84.04507	6.8
84.08181	0.4
85.02908	9.5
90.04229	0.4
91.05469	1.4
93.07038	5.3
94.06582	0.7
95.08610	0.8
98.02408	0.6
98.06040	0.6
98.98473	7.3
102.05545	1.3
105.07037	0.8
107.08604	2.8
108.08122	20.5
109.08920	1.0
109.10144	0.7
110.09687	1.7
112.69301	0.4
112.99208	0.4
114.05508	1.1
117.03432	0.4
117.64571	0.5
118.03696	0.6
119.08575	1.0
122.09676	11.7
123.10451	1.8
124.11281	0.4
130.04993	0.8
131.03381	0.7
133.10150	1.4
135.04434	1.1
135.11707	5.7
136.04739	1.2
136.11214	2.9
142.04970	0.5
145.02834	1.0
146.03175	1.5
150.12787	23.5
151.13570	8.5
152.14359	7.9
153.12796	0.6
161.13229	0.6
163.03918	8.8
164.04250	11.8
174.99210	0.9
179.14337	0.6
180.10164	0.5
190.15944	1.0
198.49164	0.4
204.49284	0.4
208.13397	1.6
210.07611	2.2
218.15497	0.6
228.08698	0.7
228.12302	1.1
236.16525	1.8
238.10698	0.6
240.12300	0.6
252.12326	1.9
254.17581	0.5
264.16077	0.7
280.11505	0.5
280.15515	0.6
282.17010	100.0
284.18677	2.5
326.19629	78.1
327.19955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01863	0.3
55.05500	0.9
56.05031	0.6
57.03442	0.8
67.05500	0.9
68.05030	0.7
69.03442	3.0
69.07069	1.4
69.36588	0.3
69.36891	3.0
70.03761	0.4
71.04976	0.9
72.05335	0.5
79.05502	2.5
80.05011	1.1
81.03433	3.3
81.07067	1.3
82.03764	0.7
82.06612	0.4
84.04053	0.5
84.04519	6.4
84.08160	1.5
85.02913	10.0
86.09711	1.3
87.04446	0.4
90.04285	0.4
91.05482	1.1
93.07050	5.2
94.06593	1.0
95.05002	0.5
95.08636	1.1
96.08179	0.4
98.02409	0.7
98.98484	8.1
99.04449	0.8
100.04790	0.6
102.05550	1.4
105.07028	0.6
107.08607	2.6
108.08130	20.5
109.08939	0.8
109.10142	0.8
110.09676	1.5
114.05559	1.3
118.03711	0.8
119.06863	0.7
119.08661	0.4
120.08093	1.1
121.10162	0.7
122.09686	11.1
123.10462	1.3
128.29604	0.4
129.10297	0.9
130.05000	0.9
131.03415	0.6
135.04436	1.1
135.11705	5.2
136.04758	0.8
136.11191	4.1
142.04993	0.7
143.11821	1.1
145.07623	0.5
146.03189	1.0
147.09146	0.6
148.09550	0.6
148.11209	0.6
150.12799	22.7
151.13589	8.5
152.14366	8.2
153.15152	0.7
163.03922	6.8
164.04266	9.6
164.07108	1.8
173.07133	0.8
174.07538	0.5
174.99274	1.2
175.08646	0.6
176.08975	0.6
178.15901	0.7
179.14281	0.6
180.06575	0.7
182.11784	0.4
190.15935	1.0
191.08183	6.2
192.08537	10.9
195.11382	0.4
208.13353	1.3
210.07603	2.0
228.12370	0.9
236.16496	1.4
238.10716	0.6
252.12328	1.8
254.17639	0.4
264.15994	0.6
272.11417	0.5
280.15497	0.8
282.17029	100.0
283.17468	0.6
284.18588	2.4
308.13232	5.6
326.14359	4.7
326.19650	85.6
327.19949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1077
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
52.47093	0.4
65.03944	0.7
70.06590	1.4
70.88491	1.0
73.06551	0.9
84.04488	0.5
84.08154	0.5
85.02929	0.8
86.09719	0.5
89.06039	1.1
91.05499	4.6
92.22419	0.4
98.98471	100.0
107.04960	2.1
110.07113	0.5
116.99509	1.4
119.04953	13.3
121.38785	0.4
123.04408	1.1
133.08662	1.0
133.10115	0.4
136.07603	3.6
147.04417	45.8
150.03813	0.5
163.03920	0.8
165.05482	21.4
165.06650	2.2
174.97707	0.8
174.99242	16.5
184.15472	0.4
207.08104	1.8
221.36127	0.4
223.07602	0.5
235.07648	2.4
251.00076	3.1
251.06924	0.8
253.08623	1.6
263.07059	4.2
281.08096	4.3
291.06390	1.0
309.07642	2.9
327.08508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51594	1.1
70.03342	3.2
80.97450	1.0
83.08593	1.1
85.02924	1.0
91.05486	10.3
95.32797	0.7
97.10794	0.8
98.98476	60.8
99.66103	0.9
100.19600	0.8
107.04973	0.9
110.59460	0.9
114.29957	1.0
119.04955	22.8
124.47977	0.9
129.09143	1.5
130.09503	2.1
147.04422	100.0
148.10435	1.1
165.05489	52.9
174.99245	8.4
193.25397	0.9
251.00191	1.7
264.10315	0.9
264.69028	0.8
281.08014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Pulverochromenol
Peak:m/z	Relative Intensity
53.03963	0.8
57.07094	0.9
60.95461	0.6
69.81786	1.4
69.82182	3.4
79.05496	4.5
79.47439	0.7
81.07061	18.6
91.10567	0.8
98.21487	0.8
98.98473	84.4
116.99512	1.1
129.07050	0.8
140.01149	0.9
143.08589	1.1
152.06221	0.9
153.06987	2.2
155.08577	8.6
157.06342	0.9
157.10162	1.5
159.08095	1.9
165.07025	1.2
167.08609	1.9
168.05789	1.3
169.10103	0.9
170.07187	0.8
171.07970	1.1
173.09662	1.1
174.99243	12.1
175.07582	1.1
179.08653	0.8
181.06541	0.9
181.10118	0.8
182.07234	1.1
183.08090	8.0
185.06027	1.7
185.09633	3.2
187.07574	1.4
189.09148	2.8
195.08089	2.2
196.08804	1.5
197.09656	0.8
198.06860	1.5
199.07568	2.3
201.09129	4.2
204.07793	0.9
205.08638	0.8
206.10942	0.9
207.07980	1.2
209.09645	1.6
210.06822	0.9
211.07527	6.9
212.08447	1.0
213.09102	2.5
214.06323	1.0
215.07031	0.8
215.10632	0.9
217.08626	7.3
221.09793	0.9
224.08316	3.1
225.09122	4.9
226.06367	1.5
227.07040	4.5
228.07771	2.7
229.08615	7.8
229.12256	0.8
231.06548	1.6
235.07520	1.6
236.08418	2.3
238.06337	1.0
239.07048	1.4
239.10597	5.9
240.07848	1.1
241.08607	50.8
242.09297	1.0
243.10226	8.4
245.08101	1.0
246.08913	1.7
247.09651	3.5
248.08173	0.9
248.23526	0.8
249.09151	0.9
251.00005	2.8
251.07060	2.8
251.10701	1.2
252.07816	3.4
252.11610	0.9
253.08527	2.2
253.12424	1.0
255.10155	2.4
257.08087	1.0
257.11758	0.8
259.09671	42.4
267.10208	11.3
267.13412	1.5
269.08243	0.8
269.11633	1.1
270.91559	0.7
271.09622	0.8
271.13229	1.1
273.11163	1.9
277.12347	1.9
280.11169	1.1
281.15335	0.9
283.09619	2.2
284.14075	1.7
285.11249	8.8
285.14862	7.1
294.12582	1.9
309.14819	18.2
327.15918	100.0
328.16360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.05515	13.3
55.16439	2.3
57.03421	3.2
57.07077	4.8
62.07714	2.9
65.03902	3.1
67.05517	29.6
69.07063	15.8
71.04981	2.8
79.05486	18.7
81.03442	5.2
81.07061	28.6
83.05001	2.8
83.08616	5.3
85.06542	3.7
91.05484	32.9
92.97106	2.2
93.07049	69.0
94.31951	2.6
95.04972	61.3
95.08064	4.0
95.08611	48.1
97.06528	18.7
98.98469	100.0
103.05458	3.5
105.06404	4.4
105.07037	57.3
107.08589	36.1
109.06512	10.1
109.10166	21.2
115.05459	3.1
116.06219	2.3
117.07017	9.9
119.08582	51.5
121.06506	16.3
121.07243	3.3
121.10141	29.4
123.08125	11.7
123.11687	8.4
128.06224	3.8
129.06987	7.4
130.07762	5.6
131.08568	25.9
133.07513	2.5
133.10130	35.1
135.08015	11.1
135.11674	10.7
137.09613	5.1
138.82858	2.5
141.06989	3.8
142.07814	11.8
143.08560	17.1
144.09338	5.2
145.10123	30.9
147.08084	3.3
147.11708	14.4
149.09619	6.1
152.06194	4.3
153.06982	4.8
155.08530	6.5
156.09349	5.0
157.10130	30.9
158.10904	3.2
159.08041	4.5
159.11705	31.8
161.09633	16.6
161.13223	6.1
163.14857	3.3
167.08557	4.7
169.10143	11.9
170.10901	4.6
171.11673	17.4
173.09616	3.7
173.13231	16.1
174.99234	12.4
175.11230	3.1
175.14810	16.5
175.29120	2.6
180.09291	2.8
181.10078	5.9
182.10870	3.1
183.11681	9.9
185.09698	2.6
185.13240	8.1
187.11150	6.9
187.13382	2.3
187.14752	14.9
189.16460	3.4
193.10107	4.1
195.11710	5.9
197.13205	6.7
199.14873	12.5
201.16386	4.7
203.63643	2.4
207.11674	3.7
209.13234	6.7
211.14836	7.1
213.16470	3.4
215.14293	3.2
217.15802	5.6
223.14743	5.5
225.16391	4.5
233.03586	6.7
235.14764	3.9
251.00134	3.1
251.04675	4.0
253.15915	3.0
281.22485	3.0
291.20981	4.1
309.22098	8.9
316.30463	3.4
327.07803	21.3
327.23227	15.0
333.86026	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01865	2.6
55.05521	11.1
57.03435	3.8
57.07073	4.4
65.03941	2.0
66.58008	1.5
67.05510	24.4
69.07071	13.3
71.04996	1.7
77.03911	1.5
79.05502	16.7
81.03414	3.2
81.07060	22.7
83.04948	2.2
83.08615	4.1
85.06545	3.1
91.05496	28.5
93.06483	3.1
93.07056	53.0
95.04379	3.8
95.04977	58.0
95.08617	40.9
97.06552	13.1
98.98476	100.0
103.05495	2.7
105.04538	2.0
105.07041	46.4
107.08609	28.0
109.06535	9.4
109.10167	21.3
115.05452	3.0
117.07023	16.3
119.08593	45.9
121.06516	17.1
121.10157	24.9
123.08096	9.4
123.11692	6.1
128.06236	3.6
129.07002	5.7
130.07751	2.6
131.08578	22.4
133.06453	3.4
133.10153	32.8
135.08093	10.6
135.11703	9.1
137.09605	5.5
139.11154	1.8
141.07002	3.2
142.07826	8.6
143.08588	13.6
144.09329	4.5
145.09056	2.7
145.10133	30.9
147.08102	3.0
147.11713	12.4
149.09634	4.6
153.06898	1.9
154.07846	3.1
155.08600	3.6
156.09357	6.6
157.10149	27.8
158.10938	2.9
159.11700	31.6
161.09637	10.3
161.13205	3.5
163.11169	3.0
167.08543	3.0
168.09343	2.3
169.10147	12.4
170.10896	2.8
171.11690	16.2
172.12469	2.5
173.09531	2.7
173.13280	12.8
174.99214	11.7
175.11240	3.7
175.14825	17.2
179.08546	3.4
181.10083	3.3
182.10876	2.7
183.11708	10.7
185.13257	6.5
187.11171	8.7
187.14848	10.1
193.10191	3.5
194.10995	1.9
195.11687	5.0
196.12492	2.7
197.13310	8.8
199.14821	10.9
201.12755	2.5
201.16455	3.6
203.14281	1.9
207.11786	2.3
209.13240	6.5
211.14816	5.6
213.16437	2.9
215.14272	2.3
217.15926	3.3
220.12425	2.6
221.13208	3.6
223.14771	4.2
225.16437	5.4
227.14281	2.6
229.15868	3.1
231.17606	1.8
235.14821	3.7
251.00012	2.7
253.15768	2.5
263.47412	1.6
265.19537	4.0
271.20499	1.8
281.22760	2.3
283.20441	2.0
291.21133	2.8
309.22116	8.3
317.85895	1.7
327.07709	4.0
327.23340	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	328.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00066	0.3
53.03947	0.8
55.01878	1.1
55.05508	0.4
57.03447	2.0
61.02935	3.7
69.03434	8.8
69.07076	0.5
70.06595	1.7
71.04995	1.1
71.52142	0.6
72.08168	0.7
73.02934	1.2
77.04976	0.4
81.03432	3.3
83.08630	0.6
85.02911	23.1
85.06535	0.8
86.09731	1.8
87.04476	1.7
91.03964	1.4
91.05486	0.5
93.07112	0.6
96.58110	0.4
97.02904	8.2
98.98475	26.4
99.04472	1.6
104.05002	0.5
108.08159	0.4
109.02913	2.0
115.03914	0.5
116.07079	0.8
116.99508	0.4
126.03719	0.5
127.03925	4.5
145.02823	0.8
145.04961	4.5
147.04422	0.5
148.02165	72.1
163.03957	2.1
166.03233	100.0
167.03542	0.7
172.04289	0.7
174.99208	2.5
175.99629	1.0
176.98940	0.7
177.05490	0.9
189.04831	0.8
193.52898	0.4
197.04469	0.5
198.11272	0.6
209.04451	0.5
216.12411	0.6
223.32950	0.4
246.54950	0.4
251.05376	0.8
263.05280	0.5
284.17593	0.6
299.00253	0.4
328.08521	3.7
328.11929	0.4
328.15723	2.3
328.20413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
52.85558	0.2
55.05522	0.2
55.61615	0.2
63.02383	0.4
70.06567	0.3
71.48203	0.3
72.08153	0.2
78.04729	0.2
86.09713	0.4
89.03919	6.7
91.05481	0.7
93.07058	0.4
96.03190	0.2
97.56053	0.2
98.98473	10.1
103.05479	0.5
106.04177	0.6
114.05780	0.2
115.05470	0.9
117.03383	23.4
119.04921	0.2
120.08122	0.3
123.04420	0.7
134.03656	1.7
135.04414	0.8
137.05960	0.3
143.04927	0.9
145.02850	56.0
146.03226	0.3
147.04402	0.7
148.04764	0.5
148.07541	0.3
149.05988	8.0
152.07083	0.3
158.05974	0.2
160.03972	0.5
161.06012	1.7
162.03110	0.3
163.03862	0.9
164.04250	0.3
164.95876	0.2
172.04280	0.3
174.99194	1.1
175.03918	2.0
175.07597	0.4
175.99562	0.3
176.04265	2.2
177.05473	100.0
178.04860	0.3
186.05533	1.2
186.43240	0.2
190.05956	0.3
190.39388	0.2
193.35361	0.2
204.06560	2.0
206.05307	0.3
216.96733	0.2
284.17859	0.2
328.08783	2.3
328.11783	5.9
328.15717	0.5
328.19757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65973	0.7
55.01885	0.7
57.03442	6.5
57.07082	4.0
60.19260	0.6
61.02934	2.3
67.05505	1.2
69.03442	3.4
69.95922	1.2
69.96307	1.5
70.06597	1.8
71.05006	1.1
71.11020	0.5
72.79786	0.6
73.02902	0.9
75.82181	0.6
81.03428	1.4
84.08159	0.9
85.02437	1.0
85.02917	13.8
85.06555	16.8
87.04509	1.3
91.03966	0.9
93.27174	0.6
93.43967	0.6
95.04984	1.8
97.02892	3.2
98.21426	0.9
98.98479	32.3
103.07597	100.0
109.02937	0.9
110.07173	0.8
113.06023	3.9
119.15585	0.6
127.03936	2.9
131.07062	0.9
131.15976	0.6
145.04985	1.6
148.07643	0.8
149.08109	24.8
166.07309	1.1
166.08711	1.4
174.99254	3.5
261.00220	0.7
328.13940	0.9
348.44235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.9
57.03439	2.1
58.62704	0.7
59.05005	32.7
61.02927	1.2
69.03454	1.6
69.07059	0.6
69.20707	5.8
70.06595	5.7
70.61683	0.6
71.65969	0.7
72.08148	2.9
73.06560	100.0
76.82645	0.7
84.08144	0.8
85.02913	8.0
86.09715	4.9
88.28886	0.7
91.03983	0.8
91.05509	2.0
97.02908	2.6
98.21516	1.7
98.97562	1.5
98.97739	1.1
98.98473	33.8
99.04468	0.7
107.04980	1.5
108.05317	1.5
116.07056	3.5
117.09140	7.0
119.04947	2.7
127.03999	1.2
127.36913	0.8
131.10680	9.4
139.03925	1.2
145.05000	1.7
147.04420	7.8
148.04773	2.0
148.07600	2.1
148.97527	0.7
149.06183	0.7
149.11740	55.6
149.46425	0.8
165.05521	0.7
166.08690	1.3
174.99161	3.3
175.99725	0.6
176.98981	1.8
185.16527	0.8
208.08412	1.6
213.16043	1.2
236.07959	2.3
255.01913	0.9
263.06903	0.9
264.07410	6.0
282.08481	5.5
292.06702	1.4
310.08002	2.7
328.09860	1.2
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
53.03942	1.2
54.56101	0.8
55.01887	1.0
55.05515	6.7
57.03426	1.5
57.07057	0.8
62.89229	0.6
67.05509	15.1
67.71779	0.7
69.03444	0.8
69.07070	12.6
69.57841	0.8
71.04983	1.3
71.25678	1.1
71.33772	0.9
72.50140	0.8
74.83853	0.8
79.05497	10.2
79.49575	0.7
81.03417	2.3
81.07062	22.2
83.04980	1.9
83.08621	3.2
85.06551	1.1
91.05484	7.4
93.07055	9.5
95.04980	4.1
95.08605	10.3
97.06533	4.2
97.10168	1.8
98.09702	1.8
98.98471	100.0
99.08106	1.4
105.07034	8.7
107.04950	1.5
107.08599	7.8
107.38672	0.8
109.06531	2.6
109.10169	3.9
111.08083	2.5
116.99539	1.1
117.07014	2.4
119.08595	7.9
121.06501	0.9
121.10133	5.5
123.08073	3.7
123.11718	1.9
125.09618	0.9
129.07007	1.2
131.08557	3.3
133.10146	6.8
135.08055	1.0
135.11697	6.1
137.05988	2.5
137.09633	2.0
145.10124	3.9
147.07869	0.8
147.11720	5.2
149.09726	1.8
149.13245	2.7
151.11273	1.1
157.10117	0.9
159.11699	2.8
163.11212	2.9
173.13321	1.1
174.99211	9.7
175.00694	1.0
176.98961	3.3
181.12242	7.1
195.13818	4.6
199.13148	1.0
207.13872	1.1
234.50365	0.8
252.99776	2.1
257.19138	1.0
275.20084	10.9
293.21109	2.2
328.18500	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01871	4.6
55.05514	41.3
59.04984	1.1
67.05507	15.4
69.03439	5.3
69.07069	21.5
69.50394	3.5
69.50824	3.8
71.03738	1.0
71.05005	1.2
79.05494	20.4
81.03410	1.3
81.07058	17.3
83.05004	4.9
83.08148	1.8
83.08623	30.1
83.53477	0.9
83.56812	1.1
83.88598	1.1
85.06525	1.6
89.60715	1.1
91.05482	9.6
92.04620	1.1
93.07035	9.4
95.04958	1.2
95.08630	6.0
97.06523	2.7
97.10172	64.0
98.98470	100.0
101.09657	2.0
105.07027	9.6
107.04999	1.2
107.08600	74.1
109.06527	1.9
109.10151	2.8
111.08097	1.6
116.99498	1.2
117.07035	3.1
119.08581	5.4
121.06451	1.1
121.10157	3.7
123.11681	1.2
124.11234	1.6
125.09633	56.0
131.08551	4.6
133.10129	7.1
135.08078	5.4
135.11719	3.2
137.09610	1.1
143.10661	2.7
145.10139	7.2
147.11655	6.8
149.09650	6.7
153.09132	2.5
159.11699	3.2
161.13289	2.3
163.11156	2.6
165.09200	1.1
171.10211	8.9
171.11563	2.0
173.13252	2.1
174.99284	10.3
175.98122	1.0
175.99605	1.5
176.98935	4.8
179.14326	3.2
181.12250	2.6
183.11731	1.2
189.11221	82.5
239.17932	3.0
247.35056	0.9
252.99736	1.4
257.19046	9.1
275.20065	78.4
276.19785	1.0
293.21057	8.9
318.55710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
53.32241	0.2
55.01871	0.5
55.05523	0.3
56.05031	0.4
57.03439	1.1
59.09526	0.3
61.02927	0.4
67.05528	0.3
68.05051	0.4
69.03442	3.1
70.06599	2.3
71.04994	1.0
71.51728	0.5
72.08154	0.9
73.02917	0.5
77.01651	0.3
81.03416	2.0
82.06573	1.7
83.04984	0.4
84.04485	0.3
84.08149	1.2
85.02916	2.7
85.06554	2.7
86.06879	1.3
93.91332	0.3
94.06567	0.4
97.02892	1.2
97.07634	0.4
98.06065	0.3
98.98473	100.0
99.04462	1.5
100.98898	0.6
101.00913	0.4
107.04944	0.3
107.06099	0.9
108.04492	0.6
109.07659	0.6
110.03531	0.3
110.06035	0.5
110.07169	0.8
114.06307	0.2
115.33284	0.2
115.47495	0.3
116.07108	1.2
116.99503	1.9
117.05501	0.3
121.01754	0.3
122.06013	0.3
122.07181	0.4
123.05555	0.4
124.08709	0.5
127.03948	0.6
127.07285	0.5
129.10291	0.4
130.08672	0.3
131.04927	0.4
131.07048	0.5
132.08115	0.6
134.08151	1.0
136.05186	0.4
136.06218	1.0
137.05898	0.5
139.75180	0.3
145.04982	0.6
149.05893	0.6
149.07030	0.4
149.08098	1.0
150.05547	3.5
150.06638	0.5
150.08418	0.7
152.04575	1.0
153.04077	1.6
153.06627	0.5
158.00748	0.3
161.01035	0.3
163.03922	0.7
166.07260	0.5
166.08594	0.7
167.05675	0.3
167.08228	1.3
168.06543	2.4
168.07770	0.5
169.03436	0.3
170.01405	0.3
174.99251	11.0
176.98936	5.3
178.06154	1.3
179.05652	46.3
180.04024	1.2
180.06445	4.2
185.03006	0.4
193.07217	6.9
194.08006	13.9
195.08820	2.7
197.10378	0.5
207.08881	1.3
209.10045	0.4
213.00203	0.9
213.06114	0.5
213.09669	0.3
214.12132	0.3
215.11313	0.9
217.07297	0.3
222.07524	0.3
239.03259	0.9
240.13419	0.3
243.11046	0.4
248.03792	0.7
251.00082	1.2
252.99783	2.3
257.08878	0.5
261.11880	0.7
268.12894	0.5
269.02850	0.3
283.11444	0.4
293.12491	0.3
296.11139	3.7
301.12326	0.3
311.13492	2.6
312.11548	0.3
314.12201	16.5
329.14572	82.4
330.06021	0.4
330.11673	0.4
330.15131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1337
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
63.47226	0.6
63.77729	0.5
70.06602	0.7
70.86985	1.3
75.79947	0.7
79.05486	2.7
79.88280	0.6
81.07079	0.9
84.08142	0.7
85.02890	0.7
86.09702	1.1
89.03914	4.2
91.05483	1.9
93.07022	1.0
98.09687	0.8
98.98474	18.8
103.05476	8.3
107.04958	4.4
107.07345	1.2
117.03388	19.3
119.04945	1.8
120.04466	2.1
121.02850	0.9
121.06480	2.4
122.09666	2.2
123.04433	2.0
131.04938	5.4
134.03644	1.4
135.04431	0.5
135.06802	1.4
136.07533	1.0
137.06010	1.6
145.02853	52.6
145.06493	2.0
147.04391	0.7
149.05986	9.7
150.09154	32.4
163.03879	0.7
164.06985	1.4
165.05481	3.9
168.10191	2.4
174.99246	1.4
175.07692	0.7
177.05482	100.0
177.99434	0.7
178.05780	1.1
179.03374	0.8
191.14357	0.6
221.09482	1.0
225.09108	0.8
241.12570	0.7
267.10220	1.0
284.12830	3.1
286.25674	0.6
287.05374	0.7
312.12283	9.8
313.10715	3.6
330.07043	4.6
330.13370	2.3
345.04669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67989	0.3
53.24900	0.2
57.07057	0.2
60.04536	0.6
62.27358	0.2
63.02374	0.3
67.05506	0.5
70.06595	0.5
72.08175	0.3
81.07043	0.6
84.08147	0.3
85.02889	0.3
86.09711	0.6
89.03922	5.9
91.05486	7.8
93.07028	0.4
95.04998	0.3
95.08587	0.3
98.09721	0.4
98.98470	11.2
101.32303	0.2
103.05460	0.5
106.04136	0.3
109.06496	0.4
111.08121	0.2
117.03390	19.0
119.04958	3.6
121.02841	0.3
121.10165	0.3
134.03625	1.1
135.04420	0.7
137.05991	8.6
145.02853	50.5
146.03102	0.2
147.11705	0.3
149.05988	6.4
154.08664	0.3
162.03125	0.3
163.03912	0.9
168.06401	0.2
168.10120	0.3
174.99239	0.5
175.99573	0.3
177.05476	100.0
178.05788	0.6
183.83119	0.3
186.05510	1.1
194.08121	0.4
224.18063	0.3
241.12622	0.5
289.07089	0.3
313.14694	0.5
315.08487	0.7
330.06863	0.4
330.13458	8.0
330.17215	0.6
330.26285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1335
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
54.22916	0.2
63.02368	0.4
65.03929	0.6
69.56635	1.1
80.65466	0.2
81.07037	0.2
86.09714	1.9
89.03355	0.2
89.03912	4.7
91.05482	8.5
98.21503	0.3
98.98467	4.4
103.05431	0.3
106.04158	0.4
109.06512	0.4
117.03384	20.0
119.04948	4.2
121.06498	0.2
134.03638	1.1
135.04402	0.8
137.05981	8.4
137.64113	0.2
141.14717	0.2
145.02847	51.1
146.03268	0.3
146.11755	1.0
146.69040	0.2
149.02342	0.2
149.05984	6.2
151.07608	0.3
155.11003	0.2
156.79836	0.2
157.13425	0.2
158.06065	0.2
163.03894	1.3
167.03404	0.3
174.99286	0.4
177.05470	100.0
178.05849	0.5
180.06447	0.2
183.45085	0.2
185.12852	0.2
186.05527	1.2
188.99936	0.2
195.02878	0.2
211.02390	1.1
262.89609	0.2
273.56064	0.2
289.07132	2.3
330.13388	8.4
331.08249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36024	0.2
61.02903	0.3
67.05509	0.3
69.03420	0.8
70.06588	0.5
70.10698	0.7
73.02918	0.3
79.05481	0.9
81.07043	0.3
82.06565	0.3
84.08143	0.3
85.02905	1.6
86.09693	0.3
86.76328	0.2
87.04446	0.2
89.03904	0.2
91.05492	1.2
92.06274	0.3
93.07008	0.4
94.06553	0.6
95.04983	0.2
95.08597	0.3
97.02894	0.6
98.98473	9.1
105.07034	1.5
106.06552	0.4
107.07343	3.9
109.10116	0.3
112.46304	0.2
117.03433	1.2
117.05761	0.5
119.04928	0.4
120.04431	0.3
121.06512	0.8
121.08893	0.8
122.05994	0.3
122.09674	8.6
126.78837	0.2
132.08072	0.3
135.06821	1.7
137.06006	0.6
144.08842	0.2
145.02858	3.6
146.05952	0.2
148.51425	0.3
149.05986	0.5
150.09148	100.0
151.09453	0.3
151.45395	0.2
156.49251	0.2
164.07016	0.5
168.10210	5.1
174.99242	0.4
176.98898	0.4
177.05473	6.8
208.05305	0.3
330.06992	0.4
330.15616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92844	0.8
55.09213	0.9
56.96567	1.6
60.04517	1.4
60.05653	13.6
69.03423	0.9
69.07060	3.5
70.06597	42.5
71.04990	1.2
71.51947	1.0
72.06819	0.8
72.08165	6.4
84.04490	1.1
84.08158	1.5
85.02900	2.0
86.09711	60.9
91.05463	1.9
97.02943	1.1
97.07660	2.4
98.98473	100.0
100.98877	1.9
107.04919	1.0
112.08743	6.6
113.07110	1.6
114.10293	5.7
115.08697	4.4
116.07093	17.2
116.99511	1.8
117.12859	0.9
123.04440	3.5
128.10724	48.5
130.09796	5.9
133.09723	1.8
136.07678	1.0
139.03909	9.3
147.04529	1.0
150.05446	1.0
151.03920	1.0
155.11804	1.2
156.10214	5.6
157.10805	1.1
158.09265	18.8
163.03810	1.0
168.06558	2.2
174.99245	5.1
175.11914	36.7
175.99629	1.8
176.98941	6.7
179.03421	5.0
192.39009	0.9
197.01222	1.4
217.11890	1.7
245.04675	1.0
252.99779	1.6
268.21542	1.3
312.20197	1.9
313.03546	1.2
330.21368	96.0
347.04379	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05504	0.3
57.07080	6.1
58.06590	0.5
62.06073	0.4
68.05020	0.1
68.05796	0.1
69.07048	0.2
69.30419	0.8
70.06596	11.3
71.08635	2.5
72.08173	0.2
85.10184	1.0
86.06061	0.2
88.07635	14.0
98.98476	1.6
102.09187	3.4
106.08674	7.5
115.29617	0.1
117.05479	0.1
140.05161	0.1
174.99245	0.2
200.71696	0.1
202.62163	0.1
210.90155	0.1
230.22200	0.1
268.30078	0.3
286.31061	0.9
312.32605	5.8
312.36243	0.3
330.33655	100.0
331.34024	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
65.59774	0.4
67.05499	1.0
69.03413	0.8
69.07036	0.4
69.29532	1.0
69.29935	2.7
79.05492	1.1
81.03365	0.5
81.07052	1.5
93.07039	0.9
95.01363	0.7
95.04951	0.4
95.08622	0.8
98.98473	45.0
100.98874	1.4
105.07037	0.5
106.96322	0.4
107.04962	1.6
107.08578	0.4
113.04272	0.4
116.99489	0.7
118.34322	0.4
119.04952	0.4
121.02885	1.1
121.10127	0.6
127.03945	0.6
135.04399	1.9
136.96330	0.5
143.13666	0.4
145.02873	6.3
147.04416	1.9
149.02356	1.3
156.08385	0.5
163.03917	10.6
167.03429	2.3
173.02354	28.8
174.99283	2.4
175.03874	0.5
176.98926	4.4
177.05553	0.5
179.03561	0.5
181.04971	4.0
188.81700	0.4
191.03409	6.5
195.02921	1.4
201.01831	6.2
201.32964	0.4
203.03389	1.4
209.04471	6.9
211.02391	1.5
219.02895	49.1
221.04463	1.2
237.03951	100.0
238.04196	0.7
247.06059	0.8
252.99724	0.6
254.99359	0.5
263.43201	0.5
271.05954	0.7
281.12946	0.5
289.07111	2.8
331.08130	1.0
331.12299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	32142-31-7
Peak:m/z	Relative Intensity
55.01866	3.5
55.05515	2.0
55.95753	1.1
57.03427	4.7
58.99588	8.5
61.02934	2.4
62.80896	1.0
62.86346	0.9
66.47797	1.0
68.74487	1.0
68.99819	1.0
69.03417	3.8
69.07062	1.4
70.20243	4.6
70.34660	1.1
73.01115	1.2
73.06834	1.0
74.00670	2.1
76.02238	8.9
79.05488	5.2
81.03428	2.0
81.07065	26.2
83.06105	11.8
84.04506	4.4
85.02913	15.7
86.00653	4.2
86.09723	1.5
86.99051	4.8
87.02688	7.2
95.04967	1.9
95.08608	4.1
97.02898	3.7
97.06532	2.0
98.98466	11.7
99.08078	3.0
101.00594	1.5
103.03929	1.4
105.00108	1.8
105.07028	1.5
106.38188	1.1
106.91502	1.0
109.02882	3.7
109.93236	0.9
110.40045	1.0
114.03783	1.1
115.05801	2.1
119.09032	1.0
121.02851	1.2
122.09686	1.9
123.04436	7.2
127.03942	5.7
129.06601	19.9
130.06728	1.1
147.04414	2.1
151.03920	14.3
156.08452	14.8
157.06847	12.5
163.03900	4.8
165.05510	3.9
169.04979	100.0
174.09514	15.7
175.03951	2.4
181.04962	15.3
187.03935	2.3
187.05424	3.3
189.05513	2.3
193.04962	19.6
198.14699	1.0
203.07326	2.1
205.04964	3.0
207.06586	7.4
210.11197	3.1
211.06027	16.2
217.05080	1.4
218.79538	1.1
229.05013	3.4
233.06010	7.4
235.06046	17.8
241.05014	1.5
247.06067	17.7
259.06113	6.7
265.06998	2.3
277.07254	6.7
285.12775	1.5
295.08121	4.5
313.08966	1.4
313.12195	3.6
331.13263	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	331.1024
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.35798	1.4
55.01863	5.9
57.03425	6.0
57.84455	1.4
61.02913	2.6
63.78864	1.4
65.59846	1.8
67.01853	4.1
68.99789	3.3
69.03419	5.4
69.71951	7.2
70.06589	2.5
70.66134	1.3
71.04987	1.4
73.02901	4.0
75.04476	8.0
80.43179	1.6
81.03394	3.7
84.04465	1.4
85.02911	30.1
86.09677	2.5
91.05476	2.6
91.20467	1.7
95.04951	2.2
97.02882	6.8
98.98468	39.1
103.03917	6.7
105.03392	2.4
109.02907	10.3
119.04923	3.9
121.02856	3.3
123.04439	12.6
125.05998	31.9
127.03902	6.7
133.06480	1.8
135.04364	1.9
137.05998	2.7
139.03893	12.1
145.06474	2.4
147.04433	14.1
151.03915	26.1
151.07513	7.6
153.01898	1.9
161.05963	7.0
163.03914	18.7
165.05461	13.9
168.11337	1.5
169.04980	25.9
169.08614	100.0
173.05971	1.8
174.99251	2.5
175.03918	8.7
176.98970	4.2
179.03392	6.9
179.07077	2.5
181.04965	53.3
185.04436	5.5
185.05879	1.6
187.03947	7.0
189.01759	2.2
189.05469	9.3
193.04973	76.7
197.01288	1.6
201.05516	4.2
205.04984	10.1
207.02925	3.1
207.06514	25.9
211.06032	62.6
213.05434	2.2
217.04951	5.7
219.06529	3.2
229.04991	15.4
231.06525	5.5
233.04404	2.0
235.06018	66.6
241.04988	6.8
247.06032	70.5
249.07561	1.9
259.06046	31.6
265.07098	9.8
265.09583	1.3
277.07138	17.5
295.08148	14.2
313.09143	2.5
313.20862	1.6
331.13739	10.6
331.21552	2.7
352.49194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.03194	0.8
57.03444	11.5
67.05522	0.8
69.03425	1.2
69.26962	2.5
69.27394	3.1
70.06611	1.0
71.05003	79.7
73.02887	0.9
75.04485	3.8
78.88158	0.6
83.04971	2.1
85.02916	88.4
86.09705	2.5
87.04474	3.1
91.05503	1.9
92.05834	0.7
93.07066	0.7
95.08635	1.1
98.98479	38.2
99.04451	0.9
105.25597	0.6
111.04478	0.9
117.03403	2.0
118.03744	1.0
121.02847	2.4
129.05499	21.5
137.05978	1.8
139.03938	1.4
145.02852	4.7
146.03171	3.5
147.04321	0.9
147.06639	1.3
149.02336	4.8
149.05904	0.8
151.07552	1.3
167.03415	12.6
174.99286	1.2
176.98949	3.6
177.05502	7.0
178.05833	7.7
185.04478	100.0
211.02393	3.2
237.03966	1.0
271.06042	1.0
289.07156	5.3
326.65771	0.7
331.10284	1.8
331.13535	1.7
331.19901	1.0
344.58380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	32142-31-7
Peak:m/z	Relative Intensity
56.49334	0.3
67.01881	0.5
67.05484	0.4
68.99783	0.5
69.03418	0.6
69.89221	0.8
69.89622	1.2
70.06590	0.5
76.02249	0.5
81.03373	0.5
81.07045	1.0
85.02913	2.0
86.09696	0.7
88.61078	0.3
93.07045	0.4
95.04971	0.7
95.20087	0.3
96.55948	0.3
97.02845	0.7
98.98470	21.9
100.98919	0.7
103.51167	0.3
119.64326	0.4
123.04426	6.9
127.03909	3.1
129.06618	0.7
137.06058	0.4
151.03908	14.4
153.12936	0.4
156.08440	0.4
161.05989	0.4
169.04964	100.0
174.09409	0.5
174.99220	0.9
176.98969	1.8
179.03426	0.5
187.38574	0.4
193.05003	0.4
229.04868	0.4
247.06099	0.4
252.99675	0.6
267.07773	0.5
309.74567	0.4
331.04431	0.6
331.13190	2.1
331.17337	1.5
340.17386	0.3
350.82361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	2.6
55.05502	1.3
56.05040	0.8
56.96561	2.3
57.03434	1.7
59.90731	0.5
61.02931	1.1
65.03937	0.7
67.01882	0.6
67.05497	1.6
68.99784	1.3
69.03437	2.7
69.07070	0.9
70.06585	3.6
71.52086	0.7
72.08160	3.3
73.02893	1.1
75.04470	1.5
79.01308	0.6
79.05505	1.0
81.03408	1.8
81.07051	2.6
83.04991	1.5
83.06108	2.4
84.04500	3.4
84.08139	3.4
85.02908	9.8
86.09698	5.6
90.05551	1.6
91.05493	2.4
93.03381	0.6
93.07040	0.8
95.04963	1.6
95.08608	1.0
97.02907	2.1
98.98470	100.0
99.04477	0.8
100.98888	3.1
103.03957	1.0
105.03377	1.1
105.07056	1.1
107.04961	1.1
109.02885	2.7
110.07150	0.7
111.04446	1.6
114.09204	0.9
116.99510	1.6
119.04959	1.7
121.02845	1.4
123.04426	6.3
124.07625	1.7
124.93890	0.5
125.05991	7.6
127.03945	1.8
129.06668	2.0
129.10258	2.3
130.04982	0.6
133.06477	0.9
134.06853	0.7
136.07565	1.1
137.02339	0.9
137.05981	1.1
138.09186	0.7
139.03906	25.4
140.04269	2.1
144.06570	1.4
145.04942	0.7
145.06607	0.8
147.04414	4.8
147.11342	0.6
151.03908	8.2
151.07545	1.8
151.11195	1.7
153.01866	1.3
161.06024	1.9
161.09315	0.7
163.03925	5.0
164.10802	1.0
165.05495	4.8
165.99423	0.8
169.04982	9.3
169.08604	25.7
174.99208	5.7
175.03952	2.7
176.98918	10.8
177.05499	0.8
179.00165	1.6
179.03407	11.4
179.06961	0.8
181.04956	16.4
184.00494	1.3
185.04524	1.3
186.20776	0.6
187.03905	1.1
189.02013	0.6
189.05386	2.9
191.03342	0.7
193.04971	22.5
196.14499	1.6
197.01242	2.4
197.12885	1.3
201.05479	1.2
205.04965	3.1
207.03078	0.8
207.06525	7.0
209.01338	0.7
210.11308	1.6
211.06009	19.2
213.05563	0.8
217.04854	0.9
219.06413	0.6
221.01237	1.3
225.00598	0.6
225.12573	0.6
227.02344	1.4
229.05037	3.8
231.06393	0.6
233.04387	1.0
235.06004	19.9
239.02483	1.0
241.05000	2.0
247.06055	19.9
252.99728	1.8
254.99530	0.8
255.01953	0.9
259.06036	9.1
265.06998	2.7
273.07544	1.0
277.07062	5.6
295.08011	4.4
310.06107	1.9
313.03473	1.1
313.09183	1.1
313.18790	1.3
329.03027	0.9
331.04654	1.7
331.13724	5.2
331.17319	1.0
331.21979	1.8
347.04184	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34905	1.2
55.05523	1.7
57.35251	1.4
63.53795	1.3
65.03946	2.3
69.07043	2.2
69.68993	4.0
69.69408	3.7
77.60769	1.3
79.05499	3.6
80.17143	1.2
81.07054	3.4
83.34198	1.2
85.02914	2.4
86.09726	1.6
91.05491	24.0
93.07053	1.2
94.04147	3.3
95.04978	6.1
95.88282	1.5
96.99134	1.4
98.98475	100.0
100.98865	2.3
103.05443	3.3
105.07025	3.9
107.04938	5.3
109.06512	3.1
115.05455	1.6
117.07017	2.6
119.04965	15.4
121.06516	5.2
121.73104	1.3
122.03646	5.0
123.04394	2.0
128.06252	3.7
129.07018	13.5
131.04942	4.9
133.10071	1.9
135.08073	4.9
136.05219	4.0
137.05988	64.2
138.60742	1.4
145.06500	2.6
149.05995	11.5
151.04012	1.8
151.07550	89.6
152.06215	3.2
153.06995	2.2
157.06526	10.0
161.05997	10.0
161.09575	2.7
161.63910	1.4
163.07555	16.7
165.06992	9.8
165.09142	2.9
166.07713	2.5
167.08537	12.0
170.94118	1.3
174.06770	5.3
174.99223	4.3
175.07542	5.2
176.98898	11.8
177.09183	2.1
178.07811	6.0
179.08578	2.7
181.06538	4.0
182.07249	4.1
189.09129	27.1
192.09323	1.9
193.06543	5.8
193.10150	5.8
194.07249	3.0
195.08054	24.9
197.05963	4.4
197.09575	1.6
199.07596	4.1
203.08673	1.8
205.06505	1.8
207.08209	3.0
207.10190	5.3
209.09575	3.2
210.06766	5.9
211.07565	4.1
212.08377	3.9
221.05922	9.1
221.09560	10.1
223.07504	9.8
224.08330	4.8
225.05428	1.8
225.09123	6.7
227.07123	3.7
227.10666	28.1
234.06740	1.8
237.09116	3.1
238.06242	3.5
238.09912	1.8
239.06935	2.8
239.10608	2.1
240.07861	2.2
241.08635	2.0
249.09167	6.3
250.47786	1.6
252.99818	1.5
253.08681	10.1
253.12234	13.9
254.60011	1.3
255.06451	1.5
255.07379	2.3
255.10161	27.2
259.13242	1.7
267.10257	3.7
269.08234	2.6
269.11560	1.5
272.10471	3.8
281.08777	1.4
281.11758	5.1
285.11249	16.8
287.12805	49.3
295.02438	2.0
301.14511	2.0
313.03058	1.5
313.14346	14.1
331.08273	3.2
331.15656	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05513	10.2
57.03443	7.0
57.07079	100.0
61.74416	1.5
64.23273	1.5
65.03944	1.4
66.58910	1.4
67.05508	22.6
69.07072	16.9
70.06584	3.7
71.08636	68.2
71.55060	1.2
73.50255	1.2
75.04465	3.4
81.07066	34.2
83.08625	23.5
85.10189	36.5
87.76045	1.1
88.07621	5.1
93.07019	1.6
95.08611	49.7
97.10180	12.7
98.98471	26.2
99.11770	3.1
100.98952	1.3
102.09179	1.4
103.07587	1.2
104.98003	1.6
106.08666	2.3
109.10162	25.6
111.11715	3.1
123.11701	11.6
125.13264	3.2
137.13280	6.8
141.95860	1.2
165.16379	2.2
176.98997	2.2
220.93477	1.4
221.22644	3.6
239.23688	29.2
257.24759	8.3
313.27377	77.8
313.32971	2.4
314.27698	1.5
331.34009	40.6
348.08691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.66518	1.5
55.05514	12.1
57.03424	6.5
57.07083	100.0
57.47761	1.4
62.34008	1.4
67.05190	1.5
67.05513	24.5
69.07079	17.0
69.73561	8.0
70.06583	5.1
71.08640	73.1
75.04482	3.9
79.05484	3.1
81.07065	30.3
83.08632	26.9
85.10191	35.6
88.07658	7.0
89.06039	2.9
91.05480	2.2
93.07010	1.9
95.08620	52.1
97.10176	14.4
98.98478	82.2
99.11756	2.9
100.98898	2.3
106.08665	4.1
109.10172	23.3
111.11745	3.8
123.11745	9.9
125.13292	3.1
127.96030	1.4
137.13255	5.8
150.36208	1.4
151.14828	3.5
165.16457	1.8
174.99220	3.1
176.98927	7.6
213.89838	1.5
221.22647	2.8
239.23741	24.6
257.24762	9.1
313.27411	71.3
313.33072	3.9
314.27777	1.6
331.34009	71.5
332.33148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2847
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05515	11.5
57.03427	5.9
57.07084	89.8
67.05515	23.0
69.07076	17.9
69.28979	6.1
69.29410	6.7
70.06578	4.3
70.80042	1.5
71.08640	67.4
75.04475	3.3
80.25882	1.7
81.07067	30.3
83.08167	1.6
83.08628	23.6
83.46037	1.2
85.10200	35.4
88.07626	5.6
89.06003	1.5
93.07047	2.8
95.08622	53.8
97.10168	11.0
98.98480	100.0
100.98888	2.0
102.15520	1.4
106.08669	1.9
109.10173	24.0
111.11713	4.8
121.10124	1.6
123.11710	12.5
125.13251	2.5
135.56256	1.6
137.13258	6.4
165.16438	2.0
174.99257	5.0
176.98941	11.6
221.22769	2.7
239.23723	27.9
252.99664	2.0
257.24805	6.0
313.27408	73.5
313.32935	2.9
331.34027	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03933	0.6
53.43150	0.6
57.03440	1.9
58.29940	0.6
61.02932	1.6
62.14952	0.6
65.03942	1.0
67.05501	2.0
69.03434	6.4
70.87376	1.4
73.02911	1.7
75.16207	0.5
79.05495	1.4
81.03418	2.3
81.05826	0.7
81.07091	0.7
85.02914	7.2
85.63791	0.6
87.04477	2.0
93.05772	0.7
96.08157	1.0
97.02897	3.1
106.06551	5.0
108.08119	100.0
109.02879	1.0
109.08503	0.7
123.06801	4.9
124.07592	13.3
124.08499	0.8
127.03040	0.6
127.03943	1.9
132.88594	0.6
134.00612	0.8
134.06023	14.8
134.45964	0.6
136.07585	11.8
145.05014	0.9
152.07068	75.9
154.08630	1.2
170.08121	15.0
187.15355	0.6
216.29436	0.5
260.19305	0.7
314.09604	0.8
314.12332	39.1
332.13400	73.4
351.13528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33793	0.6
53.03929	0.6
57.03428	1.1
61.02922	2.6
65.03945	0.7
67.05490	2.8
69.03436	6.5
73.02912	1.3
75.67363	0.7
79.05486	1.0
81.03389	1.8
81.04526	0.9
85.02907	8.0
86.06116	0.7
86.09722	0.7
87.04469	1.9
91.03961	0.8
94.92995	1.6
97.02885	3.3
99.04430	0.8
104.10750	2.6
106.06565	6.0
108.08124	100.0
109.02898	1.5
123.06817	3.6
124.07597	14.6
127.03955	2.2
134.06036	14.4
136.07590	13.2
147.88252	0.7
152.07076	80.7
154.08670	1.3
170.08119	19.3
170.09210	1.3
172.73993	0.6
204.87094	1.6
314.12338	39.5
332.13480	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	332.2221
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
52.80346	0.7
55.05505	1.9
56.96551	0.8
57.07067	1.7
67.05512	1.1
68.05018	2.1
69.03416	0.8
69.07054	1.0
70.06597	14.5
71.52583	1.0
79.05508	1.4
81.07045	2.2
83.08606	1.4
85.02892	0.9
85.06544	0.8
86.09717	1.3
91.05474	2.5
93.07059	4.1
95.04955	0.8
96.08123	2.0
97.06536	0.7
97.11237	0.8
98.98470	9.2
100.07625	4.6
105.07034	5.8
107.08635	3.9
108.08145	1.9
112.00975	0.7
114.05522	2.6
116.07097	1.3
117.07040	3.9
119.08588	4.2
120.08083	1.8
121.06430	0.7
121.10109	1.6
122.09610	1.8
128.07094	4.7
131.08574	10.0
133.10120	7.1
135.08075	4.4
135.11691	0.8
142.08694	4.1
143.08534	3.0
144.09428	0.9
145.10112	4.1
147.11694	2.0
148.11208	1.3
154.08595	3.0
156.09369	0.8
157.10165	3.4
158.10910	1.8
159.11697	2.5
161.09636	1.3
168.10204	17.9
171.11647	1.6
173.13272	10.2
175.11116	0.7
175.14825	1.1
176.99055	0.7
177.02277	1.1
178.08591	5.1
179.05893	1.1
181.53516	0.8
184.12383	1.2
186.12741	0.9
186.85425	0.7
188.14236	0.7
191.14206	0.9
192.10158	1.5
194.11792	3.6
195.03181	0.7
196.31013	0.6
199.14839	2.7
201.16339	0.9
217.15898	2.3
232.13339	1.6
233.14145	1.3
245.56743	0.7
248.16554	0.9
258.15042	0.7
273.17175	0.8
276.16031	1.8
284.16507	0.7
287.09204	0.9
302.17505	7.7
314.21030	2.9
317.19846	2.7
332.22205	100.0
333.22446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16596	0.4
51.81907	0.5
53.03943	1.0
55.05502	1.0
57.03438	0.8
61.02923	0.7
65.03961	0.6
67.05498	1.2
68.99776	0.6
69.03414	0.6
69.07059	0.9
70.06594	0.9
71.05009	1.0
71.12444	1.0
71.18931	0.5
76.03964	0.4
79.05506	1.0
81.03410	0.9
81.07045	1.7
83.04982	1.1
83.06110	0.5
84.04519	0.6
84.08158	1.2
85.02908	2.4
86.09711	5.2
86.42033	0.5
91.03905	0.5
91.05483	1.5
93.07051	2.4
93.07558	0.5
95.04977	14.5
95.08600	1.5
96.44699	0.5
97.02924	1.2
97.06532	0.8
98.71089	0.5
98.98475	8.0
99.08127	0.7
102.80144	0.5
103.05496	0.5
105.07016	1.4
107.05011	0.6
107.08588	1.7
109.02835	0.6
109.06522	1.3
109.10208	0.9
111.04466	1.3
113.09640	0.5
119.08607	0.7
120.08119	1.1
120.08970	0.5
120.82483	0.6
121.02910	1.3
121.06526	1.4
122.02780	0.6
123.04435	100.0
124.04805	0.7
127.03913	0.9
130.05003	0.5
131.08546	0.6
133.10150	0.6
135.08112	0.7
135.11697	1.7
136.06166	0.5
137.02356	1.7
137.05980	1.1
145.10147	0.7
147.04387	2.9
149.02341	0.5
149.09659	0.8
151.03935	1.8
153.05482	0.7
153.12785	0.8
164.07138	0.6
165.05487	46.4
167.07071	1.1
169.04964	13.9
171.13765	0.7
175.03915	0.8
175.11269	0.6
176.98952	1.3
177.81595	0.6
179.03427	1.1
189.12791	0.9
194.11813	2.2
195.06522	0.5
195.12120	1.8
203.03371	2.6
221.04471	3.8
239.05402	0.6
273.07550	1.6
314.68582	0.6
315.09503	0.9
333.06302	0.6
333.10641	1.0
333.14334	0.8
333.22415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0971
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
50.67900	0.7
53.03943	1.5
55.01857	0.8
55.05508	1.5
55.39681	0.8
56.66169	0.7
67.05498	2.7
69.03431	1.6
69.07068	1.0
70.06597	1.1
71.05022	0.8
78.87014	0.7
79.05478	1.1
80.93223	0.8
81.07055	2.2
83.04984	1.2
84.08175	0.8
85.02901	2.3
86.09703	1.1
91.05486	2.2
93.07038	3.2
95.04973	13.7
95.08626	1.7
97.02900	1.4
97.06501	1.2
98.98469	12.7
99.04436	0.9
105.07027	2.1
107.04994	1.0
107.08602	2.4
109.06531	2.2
109.10143	1.3
119.08590	1.5
120.08047	1.3
121.06488	2.4
123.04433	100.0
131.08623	0.9
133.10173	1.2
135.08037	1.6
137.05978	2.6
137.09648	1.1
145.10112	1.8
147.04416	3.1
147.11652	0.8
149.09636	1.8
151.03917	1.7
151.07567	1.2
157.10178	1.0
163.03983	0.9
163.07585	1.0
165.05482	46.8
167.07066	2.3
169.04951	12.8
173.64549	0.7
176.98950	1.6
197.04419	0.8
203.03447	1.5
221.04515	2.2
230.10817	1.0
272.17273	0.8
273.12506	1.0
275.05423	1.5
315.13165	1.4
315.19659	1.0
333.13940	1.8
333.20459	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32227	0.3
69.31421	2.8
77.95691	0.4
84.04503	0.3
84.08130	0.8
85.16219	0.4
86.09701	0.5
87.10016	0.3
94.05065	0.3
95.08578	0.3
98.21471	0.5
98.98467	2.8
115.01611	0.4
123.04428	0.8
139.03883	0.8
147.04460	0.6
150.98647	0.3
151.35493	0.3
163.03957	0.6
171.09966	2.2
174.15045	0.3
197.04112	0.3
224.56929	0.3
253.94798	0.4
305.16882	0.4
306.41251	0.4
333.15210	100.0
334.15439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03949	3.4
55.01869	3.2
55.05513	5.0
57.03444	10.8
57.07075	18.4
59.05000	12.2
61.02934	13.0
67.05506	8.1
69.03436	31.6
69.07086	12.9
71.04993	6.1
73.02902	4.0
73.82515	1.7
79.05499	2.5
81.03414	12.1
81.07053	5.0
83.04983	1.9
83.08627	7.3
85.02911	95.6
85.06557	14.3
86.09708	2.8
87.04482	3.6
91.03962	4.4
93.07064	6.3
95.05003	2.1
95.08617	65.1
97.02904	30.8
97.06533	8.6
98.20698	2.7
98.98447	5.2
99.04460	9.3
99.08097	16.8
107.08621	9.0
109.02905	10.1
109.06537	9.3
109.10161	22.6
110.14816	1.8
111.08091	12.0
111.11758	2.3
113.09655	85.5
115.03931	3.3
127.03935	16.9
127.11206	50.5
135.11710	20.2
137.13280	5.0
145.04985	25.2
153.12758	100.0
154.63527	1.9
155.14326	17.3
171.13815	61.7
195.13884	2.8
213.14964	6.4
273.11914	2.0
301.11841	5.5
333.19125	11.1
357.80432	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
54.57738	4.3
55.01860	16.2
55.05515	23.9
57.03437	13.3
57.07084	25.5
58.99588	5.8
59.04998	7.1
60.99144	6.2
61.02929	9.3
67.05512	7.9
69.03432	24.2
69.07066	23.5
69.77196	9.9
69.77607	15.6
70.06584	14.6
71.04996	36.1
72.08174	29.6
73.02917	11.5
73.06551	6.4
74.13338	4.2
76.02225	11.5
78.01794	15.8
79.05488	22.2
81.03429	10.5
81.07063	94.8
82.07410	11.5
82.85396	5.6
83.06111	29.8
83.08614	9.3
84.04508	40.7
84.08127	16.4
85.02918	84.2
85.06536	9.0
86.09712	23.1
88.98613	5.9
89.00607	5.3
89.02239	7.1
91.05496	23.6
93.07038	40.6
95.04964	11.3
95.08601	24.4
97.02892	21.0
97.06539	22.6
98.20827	5.4
98.98495	63.0
99.08096	7.2
100.48081	5.0
100.98883	8.7
104.96362	5.3
105.07032	28.3
107.08602	48.4
109.06547	11.8
109.10156	23.8
110.09675	30.2
111.08095	7.0
115.03905	11.6
119.08592	28.2
120.08104	16.2
123.04414	5.9
123.05556	6.7
123.08052	7.7
127.03947	11.3
127.11186	9.2
128.96280	4.3
129.06583	33.2
129.10237	7.7
130.04953	5.2
131.07048	7.6
131.08551	10.9
133.04967	12.0
133.10150	5.7
135.11670	28.4
136.06201	9.0
137.06006	7.9
137.13249	20.9
138.09126	27.0
139.03870	5.4
143.08578	8.1
145.04951	10.3
145.10130	13.9
147.08035	14.3
149.09645	6.2
151.11189	6.8
153.12759	100.0
153.61028	4.8
155.14310	10.6
156.10194	12.7
158.07986	22.1
159.06401	16.2
159.07971	6.1
161.02704	7.7
163.03955	8.0
165.05574	8.6
165.12767	45.8
167.07054	6.1
171.13812	21.4
173.09662	12.4
173.13159	9.8
174.11278	32.1
176.09067	20.3
176.98917	14.9
177.12720	11.1
189.12813	7.6
205.06879	7.9
210.11354	8.8
219.13809	6.8
231.13908	5.7
234.98929	13.8
235.05630	8.4
243.13754	6.8
249.15063	6.8
261.14856	9.3
271.13251	5.9
271.57355	5.4
279.15814	8.3
297.18164	32.8
315.04639	18.7
315.09662	14.4
315.12906	6.4
315.17841	13.4
333.05954	7.5
333.13376	43.3
333.20374	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98339	0.4
67.05499	0.7
69.19386	1.3
69.19801	3.4
70.17274	0.4
78.16957	0.5
83.73150	0.5
91.05473	0.6
97.32010	0.5
98.20782	0.7
98.98475	8.8
100.98857	0.5
107.08610	0.6
121.31739	0.6
137.05992	2.2
143.08572	0.5
149.02333	0.7
176.98936	1.3
193.04959	1.4
195.69690	0.4
235.12987	0.8
237.00644	0.5
268.69064	0.5
302.24170	0.8
333.20377	100.0
334.20657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
50.01612	0.9
50.18749	0.6
53.03955	4.9
54.06355	0.7
55.01871	4.0
55.05513	20.7
57.03442	24.8
57.07086	1.6
61.02935	1.0
65.03949	5.2
67.05509	100.0
69.03445	1.7
69.07076	14.9
69.31940	1.5
69.32336	5.3
71.05009	1.4
73.02916	3.0
77.03937	1.4
79.05498	56.1
80.06248	0.7
81.03430	1.7
81.07060	70.2
83.05001	2.1
83.08611	4.9
85.02911	1.7
85.06544	1.3
91.05489	32.0
93.07048	53.5
95.04987	4.1
95.08612	50.2
97.02892	1.0
97.06544	1.8
97.10156	1.5
98.98479	8.5
103.03947	1.6
105.04535	2.0
105.07035	20.2
107.04944	0.7
107.08606	26.2
109.06530	2.1
109.10163	18.8
111.11706	0.8
117.07039	3.5
119.06082	1.0
119.08581	13.8
121.06485	1.2
121.10143	16.1
123.08031	0.9
123.11725	5.3
125.70414	0.7
129.05490	23.1
129.06999	1.4
131.08586	5.8
133.10152	12.0
135.08113	2.2
135.11707	10.3
137.13269	0.9
143.08629	0.7
143.57489	0.7
145.10141	3.2
147.11702	8.7
149.09642	1.5
149.13283	4.7
151.11160	1.6
157.10101	1.3
159.11748	2.7
161.03046	0.9
161.13286	3.8
163.14783	0.9
171.11714	2.2
173.02975	1.0
173.13307	1.6
175.05566	0.6
175.14867	2.2
176.98906	0.8
185.13330	1.1
189.16429	0.9
217.19597	2.3
231.21130	0.9
232.04782	0.7
241.19630	2.4
259.20749	2.1
260.63876	0.9
267.05142	0.8
272.14612	1.0
318.54837	0.7
332.65878	4.2
333.24249	85.9
334.24292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01875	1.0
55.05510	6.8
56.05016	0.9
57.03432	1.8
59.61600	0.7
61.02915	2.8
67.05486	1.1
69.03432	6.1
70.06576	2.4
71.04980	2.9
71.11284	0.6
71.16244	1.4
72.08144	0.8
73.02896	0.9
73.90133	0.6
79.05489	3.2
81.03406	2.1
81.07056	16.5
83.08617	5.2
84.04487	1.3
84.08144	1.2
85.02441	1.0
85.02913	14.1
85.06534	2.6
86.09702	1.2
87.04436	0.9
91.03951	1.4
91.05455	0.8
93.07012	0.8
97.02893	5.2
97.05273	0.7
98.06076	1.0
98.09682	2.6
98.97595	1.7
98.98454	1.1
99.04441	1.2
99.08088	2.4
101.93803	0.6
102.03722	1.0
107.04961	1.0
108.08112	2.9
109.06525	15.1
110.06009	1.0
111.08097	0.8
112.07615	0.7
113.54154	0.7
120.08080	1.2
126.05528	1.0
126.09164	47.8
127.03897	3.3
127.07560	18.3
136.07611	1.1
137.05972	5.6
140.10683	0.7
145.04979	2.2
147.04398	0.9
154.08641	59.6
155.07036	34.7
163.03940	1.6
172.09695	100.0
173.10033	0.8
178.92455	0.6
224.33961	0.6
237.02827	0.6
298.16626	1.0
316.14056	1.4
316.17474	1.0
334.08987	14.0
334.12927	1.0
334.14923	1.5
334.18478	1.3
343.07382	0.6
343.31845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26336	0.4
55.05518	0.5
60.60369	0.3
68.05029	0.4
69.80730	1.1
69.81145	0.6
70.06602	25.5
71.04994	0.8
72.08165	4.2
73.04047	0.7
81.07018	0.5
82.02922	0.4
86.09743	0.3
97.06530	0.4
98.06078	3.3
98.21493	0.6
98.98502	0.3
103.27147	0.3
114.05541	10.8
115.08704	0.7
116.03817	0.4
116.07109	1.5
118.06570	8.2
119.07401	0.4
130.06544	0.3
131.08220	0.5
132.08107	3.9
133.08875	1.1
134.09651	0.6
146.09650	3.0
147.10472	0.4
156.42111	0.3
159.07646	0.9
160.11217	0.4
168.59908	0.3
176.14371	60.0
177.14650	0.4
216.17542	0.3
230.15457	0.5
237.78410	0.3
259.10950	0.4
262.04126	0.4
273.12546	0.6
273.19672	13.0
290.22607	0.4
291.20798	3.3
317.18628	100.0
318.18951	1.0
334.06305	0.8
334.21283	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
52.09567	2.6
58.47424	2.6
63.46713	2.4
66.89628	2.6
67.19151	2.4
70.43675	8.9
77.78899	2.7
86.04408	3.0
97.33345	2.7
136.76476	2.6
291.15921	2.5
335.07379	100.0
335.11349	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	335.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82257	4.1
70.03973	18.4
83.41321	4.6
85.02924	5.9
101.00898	9.6
113.00871	5.5
123.91153	4.7
131.01921	7.2
145.03445	7.7
155.01859	6.7
169.59909	4.7
171.05048	7.2
179.86716	5.6
185.06625	8.3
215.04005	7.1
269.09494	5.0
275.09805	9.5
286.07513	5.9
293.10800	11.7
317.07040	6.5
335.07480	100.0
335.14404	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	335.0762
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
50.16426	0.2
51.02410	0.2
53.03951	0.7
55.01871	1.1
55.05515	0.5
56.70349	0.2
63.02358	0.2
67.05500	0.8
68.99774	0.3
69.03428	0.3
69.07056	0.4
70.06591	0.3
71.01358	0.7
71.53063	0.2
73.02927	0.2
75.64816	0.2
75.92979	0.2
79.05489	0.3
81.03425	4.3
81.07069	1.6
82.35611	0.2
83.04984	0.2
83.70948	0.2
85.02927	0.3
91.05499	0.4
93.07047	0.8
95.04984	0.6
95.08100	0.2
95.08613	1.0
97.06547	0.3
97.10182	0.3
105.07019	0.6
107.01330	0.4
107.08624	0.4
109.02876	1.1
109.06528	0.2
109.10162	0.5
119.08563	0.3
121.06507	0.3
123.08134	0.2
123.11720	0.2
127.03921	1.7
133.10135	0.4
135.08064	0.5
137.02361	100.0
137.03426	9.7
137.09596	0.3
137.13284	0.6
138.02687	0.5
139.03903	4.0
139.11084	0.2
145.10144	0.3
149.09641	0.3
155.08430	0.2
155.14316	0.6
161.09544	0.3
167.03391	1.7
183.11578	0.2
199.06049	1.7
199.14941	0.2
204.01599	0.2
317.21143	0.7
318.19147	0.3
335.22498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.05038	34.3
57.03432	1.1
61.01154	27.5
67.05479	1.5
70.06583	3.8
71.52163	1.3
72.08134	1.7
81.07042	1.7
84.04508	82.8
84.08084	1.0
85.02889	3.0
85.03400	0.8
85.06531	1.2
86.09691	2.2
91.05475	1.0
95.04960	1.1
98.06056	14.0
98.98450	1.3
102.05544	24.8
104.05333	53.0
107.86749	1.0
109.06491	1.2
109.10168	1.7
115.07323	1.0
116.07123	8.1
120.08099	3.2
129.09039	1.0
137.09619	2.1
138.09943	1.5
144.06566	62.1
146.06357	29.0
150.81104	0.9
155.10652	2.3
162.07623	100.0
174.05838	11.3
287.10144	3.1
289.03427	2.4
291.04843	1.8
299.10144	1.1
317.11343	3.0
335.12167	2.0
335.15979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1277
Annotation	Karanjachromene
Peak:m/z	Relative Intensity
67.05510	1.5
68.99812	0.4
71.52467	0.7
75.41164	0.4
78.26047	0.5
79.05513	0.9
81.07080	1.2
81.45501	0.4
91.05471	0.5
92.45905	0.4
93.07053	0.6
95.08625	1.3
98.37543	0.4
105.07100	0.5
107.08633	0.5
112.52718	0.4
121.10151	0.7
129.00758	0.4
131.08569	0.5
135.11726	0.5
145.10138	0.5
153.92659	0.4
166.07774	0.5
182.64520	0.4
191.08542	0.8
195.08028	2.4
208.08884	1.1
219.08134	2.7
223.07576	0.8
237.09187	0.7
237.12827	1.4
246.06731	0.6
247.07553	1.8
250.06230	2.8
251.07053	10.0
260.08453	0.7
263.07059	2.6
264.07932	2.3
265.08499	0.8
275.07001	2.6
278.05786	6.6
288.07791	2.5
289.08609	1.2
291.06528	19.5
292.07312	27.9
293.08105	97.1
294.08411	0.9
305.08218	2.3
306.08954	2.9
307.13156	0.8
311.09161	0.5
320.10571	2.3
335.12790	100.0
335.25937	1.3
336.12927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	epi-Juruenolide C
Peak:m/z	Relative Intensity
51.15667	1.4
52.91631	1.1
53.23137	1.2
53.28260	1.1
55.01867	2.9
55.05517	2.2
57.02627	1.3
57.03437	1.6
57.07069	2.2
61.02922	1.5
67.05498	3.9
68.99794	2.0
69.03431	7.6
69.07063	3.7
70.06596	3.2
70.46368	2.1
71.01359	1.2
71.04974	2.3
73.02924	1.3
74.11716	1.2
79.05488	4.9
80.48770	1.4
81.03405	3.0
81.07038	8.0
83.04976	5.6
85.02893	5.4
85.06520	1.9
86.09693	2.6
91.05476	5.8
93.07038	7.7
95.04978	1.9
95.08629	6.0
97.02891	39.6
97.06515	2.9
98.21368	1.5
99.04462	2.1
105.07043	10.0
107.04983	1.5
107.08595	23.5
109.06516	5.6
109.10162	6.4
111.04444	1.3
113.02380	2.1
117.07021	2.8
119.08584	19.3
121.06492	4.1
121.10159	12.3
123.04353	1.7
123.08058	2.4
125.05961	1.4
127.03914	4.3
128.06218	1.9
128.55542	1.3
129.07021	1.5
131.08582	12.6
133.06445	1.9
133.10139	12.8
133.39409	1.3
135.08078	9.2
135.11684	6.7
142.08682	2.0
143.08498	6.1
144.09377	1.8
145.10135	11.4
147.11697	14.9
149.09666	3.0
149.13243	5.3
151.07613	1.6
155.08595	2.4
155.10718	1.4
156.09300	1.7
157.10143	5.4
158.10924	17.1
159.08070	1.8
159.11664	9.4
161.09607	2.2
161.13261	2.8
163.11205	1.6
163.14813	4.6
169.10112	3.0
170.10884	3.1
171.08022	1.7
171.11685	5.2
173.09636	2.9
173.13271	69.8
174.14073	2.2
175.11224	1.3
175.14873	8.9
183.11746	2.3
185.13264	4.7
187.14825	5.3
189.12756	4.8
191.07126	1.3
191.14302	22.2
196.12611	1.5
197.13187	1.5
199.14929	1.6
201.09041	1.5
203.14449	2.6
212.11917	1.6
213.12753	5.6
215.14386	1.9
217.15810	1.5
221.15347	1.6
227.14288	2.5
229.15846	3.0
243.11220	1.4
245.15344	1.5
257.15402	2.8
271.10669	1.4
271.13455	1.4
271.16788	1.7
287.10132	2.6
287.16388	2.0
289.18002	2.2
291.04974	1.7
299.10303	3.6
299.16373	6.1
305.17374	1.5
314.25784	1.5
317.02896	4.4
317.11496	7.3
317.17371	9.9
335.04150	1.6
335.12234	4.3
335.18539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	2.7
55.05262	1.3
55.05511	13.5
55.27684	0.8
57.03439	15.1
57.07053	1.5
65.03935	1.7
67.05505	56.5
69.07072	12.7
70.77924	1.9
71.04988	1.9
79.05495	27.5
81.07057	60.3
83.04964	1.3
83.08615	5.5
85.06525	1.3
91.05479	14.4
91.53918	0.8
93.07047	31.9
95.08608	44.1
97.06524	1.7
97.10139	2.6
103.76608	0.9
105.04457	1.1
105.07030	8.8
107.08604	16.1
109.06540	1.3
109.09467	1.8
109.10155	20.3
111.08089	1.1
117.06969	2.9
119.08582	6.7
121.10148	13.5
123.11694	7.1
131.08592	4.8
133.10133	5.4
135.11658	9.0
137.09650	1.6
137.13283	1.0
145.10123	4.4
147.11707	4.7
149.13222	4.7
159.11705	3.1
161.13264	4.0
163.14848	1.6
165.12842	1.3
173.13245	3.2
175.14844	2.2
187.14844	2.0
191.14343	0.9
219.17484	1.2
243.21077	3.0
261.22165	8.0
317.24701	0.9
335.25803	100.0
336.25784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.192
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
53.31730	0.6
55.05520	0.9
56.76336	0.6
60.04521	0.7
60.06782	0.6
69.07073	5.1
70.06599	3.6
71.52335	0.7
76.18181	0.6
78.80129	0.6
81.07075	0.7
81.47710	0.6
86.09715	100.0
89.86050	0.6
91.05518	0.7
93.07062	0.8
95.08594	1.3
97.02927	0.7
103.05503	1.8
107.04983	0.9
109.49779	0.8
111.11737	4.2
114.64303	0.7
116.07127	0.9
120.08115	52.0
120.74582	0.6
131.05003	1.7
132.10226	0.8
139.11208	5.4
139.77663	0.6
143.11813	78.3
149.06007	1.3
157.12257	8.2
166.08653	33.8
171.11302	22.7
199.18073	0.7
227.17638	0.7
279.17169	1.0
313.57861	0.7
336.18649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
52.43174	1.6
55.47575	1.5
66.04487	1.7
68.46754	1.6
69.94137	6.7
69.94498	3.2
98.20859	2.3
103.50426	1.8
106.99155	1.7
116.10362	1.6
134.20285	1.5
140.96289	1.6
169.99350	1.7
185.75034	1.7
287.96799	1.7
337.09003	100.0
338.09326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0922
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03929	0.6
55.01912	0.3
63.02370	0.4
67.05497	1.0
68.99859	0.2
69.07052	0.4
69.55596	2.0
70.06584	1.5
72.08154	0.9
72.93686	0.3
73.57172	0.3
79.05492	1.3
81.07048	0.6
84.04516	0.3
84.08157	0.7
85.02907	0.5
86.09697	1.1
89.03922	7.3
91.05482	0.3
95.04971	4.3
95.08617	0.4
97.06511	0.3
98.21432	0.6
107.04956	2.4
111.04472	0.6
117.03387	10.2
117.07075	0.3
119.04971	0.3
119.08593	0.3
120.08109	0.7
121.02847	0.8
121.08439	0.4
124.07633	0.3
126.09164	0.6
129.10228	0.5
135.04420	19.4
136.06233	0.4
136.07503	0.5
139.03903	2.1
145.02849	13.5
146.06035	0.3
149.06079	0.3
151.03922	0.3
152.07068	0.6
153.01825	0.4
161.05956	0.3
163.03911	100.0
164.04233	0.5
164.07127	0.4
166.05000	1.4
175.08714	0.7
177.05472	0.4
181.04953	1.4
205.05005	0.4
216.23634	0.3
219.06468	0.6
227.11661	0.3
238.89894	0.3
255.11324	0.3
273.12335	0.6
283.10980	0.7
301.07187	0.4
301.11838	1.6
319.08279	0.6
319.12778	1.7
337.04498	0.8
337.08945	0.7
337.13745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1435
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
51.37056	0.2
55.05512	1.8
56.69832	0.2
57.03437	1.3
67.05187	0.4
67.05508	4.9
69.07073	2.1
69.20732	2.4
71.01349	1.3
78.56416	0.2
79.05472	1.1
81.06593	0.3
81.07056	4.5
83.08599	1.0
86.55653	0.2
89.11857	0.2
91.05474	0.6
93.07029	0.9
95.08617	3.7
97.06495	0.3
97.10169	0.7
105.07028	0.4
107.08590	0.7
109.10177	1.6
112.12098	0.2
119.08605	0.4
121.10116	0.8
123.11658	0.6
132.82671	0.2
133.10130	0.3
135.11731	0.3
137.13205	0.4
147.11708	0.3
149.13275	0.3
159.19432	0.3
179.08546	0.7
195.08162	0.3
197.09702	0.4
207.07954	0.5
219.98216	0.3
221.09534	0.3
221.13379	0.4
224.08395	1.4
225.09119	3.1
227.07034	0.9
234.06740	1.0
235.07489	1.9
237.12852	0.4
238.09901	0.3
239.06929	0.3
241.08595	0.8
248.08275	1.0
249.09145	1.0
249.12706	0.4
251.07047	1.1
252.07709	0.4
253.08589	1.9
256.07416	0.8
257.08099	0.4
262.06381	0.3
262.09979	0.3
263.07059	2.2
263.23749	0.6
267.10681	0.3
267.13843	3.4
269.08209	0.8
275.07028	0.7
276.07849	2.9
277.08609	7.4
277.11670	0.2
279.06540	3.1
280.07333	9.8
281.08090	7.7
282.08905	0.3
289.08524	0.7
290.09363	1.5
291.10190	0.9
291.13885	0.6
293.08093	55.3
294.08838	13.0
295.09708	5.4
295.13028	0.3
301.12161	0.4
307.09671	1.2
308.10443	1.0
309.11111	1.1
309.14786	1.3
319.13333	5.6
322.12000	0.6
335.12723	1.5
337.14349	100.0
337.27365	8.5
338.14642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2378
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.59889	3.2
52.95901	3.4
53.03932	5.3
53.59909	3.6
55.01880	3.4
55.05512	76.8
57.03434	5.9
57.07083	5.9
67.05500	28.0
69.03432	18.9
69.06721	6.2
69.07070	60.7
69.75825	17.1
71.04984	9.7
72.08154	3.4
79.05498	20.3
81.07059	84.3
83.04993	28.8
83.08617	9.6
85.06538	26.2
86.09705	6.6
91.05485	20.1
93.07041	70.5
95.04962	35.8
95.08605	66.2
97.06522	26.1
97.10173	94.4
98.20822	3.7
99.08096	6.9
101.06027	7.4
105.07036	40.7
107.08603	52.6
109.06512	44.5
109.10160	47.7
111.08068	19.9
111.11729	7.8
117.07007	6.4
119.08596	36.8
120.04444	6.4
120.08128	3.5
121.06508	10.6
121.10170	32.1
123.08072	9.8
123.11678	16.2
125.05988	8.5
125.09642	24.9
127.07546	7.6
130.05060	4.4
131.08591	11.8
132.80531	4.0
133.06520	3.8
133.10110	23.4
135.08061	19.2
135.11717	26.8
137.09584	20.3
137.13281	5.8
139.11201	17.6
141.09151	8.4
143.08565	5.5
143.10664	19.3
144.25726	3.3
145.10104	25.9
147.07993	4.3
147.11729	21.9
149.09596	6.5
149.13258	15.8
151.07486	4.0
151.11224	19.2
153.12743	9.1
157.10132	8.9
157.12279	8.5
159.11705	21.7
161.09665	8.9
163.11214	16.3
163.14862	4.0
164.07104	4.9
165.09143	5.7
165.12752	14.2
171.11723	4.8
173.13234	10.6
175.11224	14.4
175.14772	3.9
177.12791	9.4
177.16273	3.4
179.10715	6.2
179.14294	12.7
181.12227	4.1
183.11630	3.3
185.13255	8.9
187.14821	8.2
189.11214	5.6
189.12694	4.5
189.16431	3.7
193.12268	12.5
196.34261	4.9
199.14915	7.8
201.16396	9.3
203.14365	6.6
209.15332	5.0
213.16382	6.7
221.15324	9.2
223.16908	4.1
229.15977	8.4
245.40479	3.5
255.21149	5.7
272.33792	3.6
273.22177	6.9
283.20621	7.7
291.23172	13.4
301.21686	35.0
319.19131	7.3
319.22690	100.0
337.23761	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03941	2.1
55.01875	1.1
55.05515	25.4
57.03442	18.2
57.07085	3.7
65.03936	2.2
67.05510	54.6
68.05846	0.5
68.70547	0.5
69.07072	32.2
69.27236	3.9
71.04994	2.1
71.08630	1.5
79.05497	15.4
81.07062	53.5
82.07402	0.7
83.04984	1.1
83.08152	0.9
83.08625	15.1
85.06548	1.4
91.05489	9.5
93.07055	13.2
95.04954	0.8
95.08612	34.2
96.08934	0.6
97.06535	3.8
97.10167	6.1
99.08100	1.0
105.07033	6.5
107.08605	7.3
109.06518	0.8
109.10168	14.4
111.08097	1.5
111.11723	1.7
113.09650	0.6
119.08581	5.1
121.10139	5.3
123.08089	0.9
123.11720	5.9
125.09642	0.7
133.10152	5.1
135.04388	0.8
135.11691	3.6
137.09615	1.0
137.13258	1.9
139.11209	1.2
147.11711	3.2
149.13295	2.1
151.14801	1.5
156.25029	0.5
161.13292	3.1
163.14818	1.6
175.14848	2.2
227.73535	0.4
235.07547	0.5
240.07722	0.6
241.08693	0.9
245.22723	1.5
251.07120	0.6
253.08611	0.6
261.22372	0.7
263.06964	0.5
263.23663	3.1
269.08051	3.5
277.08612	1.2
279.06638	0.9
280.07324	0.6
281.08090	6.5
293.08063	3.7
294.08817	1.2
295.09705	4.3
311.26892	0.6
319.13184	1.8
337.14355	20.8
337.27380	100.0
338.14859	0.5
338.27850	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.00306	0.2
53.03951	0.7
55.01879	0.9
55.05513	25.8
57.03439	17.5
57.03663	0.3
57.03736	0.3
57.07079	4.1
57.57935	0.1
59.05006	0.3
65.03948	1.9
67.05506	55.0
68.05845	0.2
69.03425	0.5
69.07069	33.6
69.97677	0.6
70.07407	0.3
71.04991	1.5
71.08634	1.6
73.06561	0.3
77.03925	0.2
79.05495	14.8
80.06280	0.1
81.03440	0.3
81.07059	53.6
82.07401	0.2
83.04993	1.8
83.08621	15.5
85.06543	1.3
85.10187	0.5
90.26394	0.1
91.05482	9.2
92.08830	0.1
93.07047	14.3
95.04965	0.9
95.08608	39.6
96.08927	0.2
97.06535	3.5
97.10170	8.1
99.08098	1.4
101.06020	0.3
105.04506	0.4
105.07034	6.3
107.08596	7.7
109.06544	0.7
109.10158	14.4
110.10526	0.2
111.08091	1.8
111.11715	1.9
113.09661	0.5
114.55898	0.1
115.07581	0.2
117.07004	0.2
119.08584	5.8
121.10148	6.2
123.08047	0.8
123.11713	6.1
123.35291	0.1
125.09647	1.3
125.13303	0.2
127.11135	0.4
131.08562	0.5
133.10135	5.6
135.11696	3.4
135.12715	0.2
137.09615	0.8
137.13254	3.0
137.14247	0.2
139.11157	0.6
145.10132	0.2
147.11691	3.8
149.13277	1.9
149.62221	0.1
151.11215	0.6
151.14828	1.1
153.12724	0.6
161.13254	2.6
163.14828	1.6
165.12747	0.4
165.16429	0.3
167.14296	0.3
175.14844	1.9
177.16377	0.5
179.14333	0.3
179.17950	0.2
181.15915	0.3
189.16367	0.9
193.15797	0.4
195.17372	0.2
203.17969	0.3
207.17380	0.2
221.19099	0.2
245.22626	1.2
263.23715	3.3
272.11679	0.1
337.27359	100.0
338.27750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03945	1.4
55.01866	0.6
55.05515	23.4
57.03440	13.9
57.07083	4.5
59.77169	0.4
65.03937	1.8
67.05507	51.7
69.03445	0.5
69.07070	26.2
70.70021	1.1
71.04977	1.0
71.08611	2.0
79.05495	13.6
81.07057	55.4
83.04990	1.1
83.08620	17.2
85.06533	1.7
91.05487	7.9
93.07048	12.2
95.04941	0.7
95.08610	45.9
97.06538	3.3
97.10175	8.0
99.08072	1.4
105.07034	6.1
107.08592	8.1
109.06489	0.6
109.10161	18.5
111.08067	1.6
111.11717	1.6
113.09644	0.4
119.08582	5.7
121.10154	8.3
123.08025	0.5
123.11705	7.2
125.09621	0.9
125.13298	0.5
133.10133	5.9
133.56226	0.5
135.11726	4.1
137.09593	1.0
137.13239	2.8
139.11205	0.7
147.11714	4.6
149.13239	2.5
151.14804	1.5
153.67537	0.5
161.13284	2.6
163.14853	2.8
165.12764	0.7
165.16374	0.7
167.14282	0.5
175.14819	2.1
177.16412	0.6
189.16397	1.2
203.17947	0.7
207.17436	0.5
245.22699	4.0
263.23706	5.9
293.08041	1.4
294.08704	0.7
313.23428	0.4
337.14328	3.4
337.27371	100.0
338.27707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1233
Annotation	4-O-(indol-3-ylacetyl)-beta-D-glucose
Peak:m/z	Relative Intensity
51.01599	0.8
53.99782	0.8
54.17835	0.9
55.01873	1.0
55.05512	1.8
55.85846	0.7
56.05044	7.6
67.05499	3.3
68.05036	4.8
69.03405	1.4
69.07068	1.0
70.06588	3.9
70.76263	1.6
71.05000	1.5
74.02454	5.5
74.37783	0.7
79.05478	2.4
80.05003	2.3
81.07062	15.5
82.06564	2.5
84.04518	1.6
84.08144	3.5
85.02902	6.2
86.09695	3.3
91.05483	3.5
95.04977	1.6
95.08066	1.5
95.08613	18.8
97.02861	1.1
99.08100	3.6
103.05394	0.8
105.07051	1.6
105.25023	0.7
107.04959	1.0
108.75082	0.8
109.02886	0.9
110.07161	2.1
113.06030	0.8
113.09676	1.0
114.05545	8.0
115.97589	0.8
120.08109	3.0
122.06030	1.0
123.04418	0.9
123.08080	13.1
124.07587	6.2
128.06239	1.1
128.07080	1.5
133.06487	1.0
135.04451	3.1
137.05963	2.1
137.48637	0.8
141.05658	0.8
141.09106	28.1
145.02872	1.8
145.06473	1.7
147.04413	2.0
148.03900	1.7
149.05893	1.0
155.08606	1.3
159.08070	2.0
159.10149	6.3
161.05975	11.7
163.03931	3.3
163.07556	2.3
165.05455	1.6
165.58583	0.9
166.08699	1.2
168.06622	0.9
171.08057	2.2
173.06062	1.2
174.04506	0.8
175.07520	1.7
176.07076	1.3
177.05478	15.3
181.04909	4.5
185.05963	1.7
185.09645	1.3
187.07588	4.3
189.05479	16.5
189.09132	1.5
191.07036	6.5
193.04953	1.8
194.04585	0.9
201.09087	4.0
203.07037	20.2
203.10638	1.0
204.10205	8.2
205.04965	20.4
205.08670	2.7
207.06535	8.0
211.07555	4.0
212.07086	2.5
213.05507	6.7
213.09103	3.1
215.07066	2.3
216.10182	1.6
217.05029	1.7
217.08508	1.4
219.06520	7.1
226.96394	1.5
228.10097	1.4
229.08653	9.7
230.08173	3.8
230.11746	3.5
231.04387	1.2
231.06567	15.5
231.10017	5.1
232.09732	2.3
233.08098	3.7
236.38345	1.0
238.08688	5.3
241.08591	2.4
244.97453	1.6
246.11278	4.8
247.09599	2.9
248.12909	1.8
250.10774	17.7
256.09729	5.9
257.08102	1.5
258.11282	2.8
259.09662	6.5
274.10764	11.0
284.09146	7.2
285.07422	1.3
292.11850	5.1
294.13379	2.7
296.11288	12.3
302.10178	18.9
320.11298	100.0
321.11679	1.6
338.12338	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01860	1.7
55.05508	0.8
57.03419	0.8
65.03941	0.6
67.05501	1.6
69.03431	2.0
70.06587	0.9
71.04983	1.0
71.47946	0.6
71.52219	0.6
79.05495	12.5
81.07057	100.0
84.04519	0.7
84.08144	0.9
85.02914	5.3
86.09705	1.2
93.07050	0.6
95.08607	9.6
97.02907	1.0
97.06530	24.4
109.63886	0.5
111.08112	0.7
113.09693	0.6
120.08109	0.6
123.08073	9.9
127.03930	0.7
129.10269	0.6
141.09103	48.8
145.02876	1.9
145.04962	1.1
159.10162	5.2
163.03932	1.4
164.04323	1.6
177.05434	4.1
189.05385	0.6
198.07494	0.6
231.06694	0.7
303.13306	0.8
320.11316	1.8
331.75568	0.6
338.12250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.8
55.05272	4.7
55.05515	64.1
63.46833	4.0
66.34718	4.0
67.05507	25.8
69.03434	9.4
69.07055	18.1
79.05493	32.9
79.09058	3.4
79.11841	4.0
81.07050	27.3
83.08621	25.6
83.10312	3.8
91.05498	29.6
93.07032	18.0
95.08599	10.8
97.10183	85.5
98.21532	9.9
102.51337	3.9
105.07027	12.3
107.08604	40.8
109.06534	3.8
109.10161	9.0
111.08060	4.6
117.07021	17.1
119.08582	42.0
121.06495	9.7
125.08772	6.3
125.09636	74.5
128.06226	5.3
133.06505	5.5
135.08081	19.3
135.11729	4.1
143.08574	6.8
145.06480	26.4
145.10158	4.2
147.08047	7.7
153.09109	16.3
157.12219	5.0
159.08052	14.8
161.09615	6.8
161.96671	4.0
171.08002	4.9
178.55540	4.1
189.11235	5.5
203.12790	100.0
212.52014	5.0
225.16335	3.9
235.32042	5.1
243.17593	6.3
258.22086	5.7
271.16943	72.3
289.18018	12.8
303.19589	69.1
338.14832	4.2
338.28619	30.6
338.34302	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	339.048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95924	7.5
66.59641	7.3
71.49043	12.6
94.93018	90.0
97.02830	7.8
106.78823	7.8
121.01633	8.9
136.94035	13.6
140.06274	7.4
162.21138	7.8
204.87021	100.0
210.94077	11.5
339.05405	46.5
339.09277	46.1
339.15500	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	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87207	0.7
55.01864	1.4
67.05521	1.1
68.99795	4.8
69.03426	3.9
70.36830	2.4
70.37152	0.8
76.71510	0.9
81.03419	2.1
84.04467	1.0
84.08140	0.9
89.03922	1.4
89.66987	0.8
91.05506	1.4
95.01285	0.9
96.95866	0.9
97.02895	6.4
98.97569	0.8
103.05495	0.9
107.04924	1.0
111.00785	1.3
111.04497	1.5
117.07007	1.1
119.04872	1.3
121.02857	1.3
121.06488	1.1
123.04447	8.2
123.08058	0.9
125.02369	9.2
127.03917	1.2
129.06972	1.2
129.52707	0.7
130.04967	1.2
131.04912	1.9
133.07466	0.9
135.04430	2.7
137.02306	1.3
139.03912	28.8
141.77296	0.9
145.02837	3.6
147.04405	2.9
149.02321	2.5
149.05971	1.6
150.03191	1.7
151.03917	7.0
155.03392	2.2
157.06535	1.7
159.04420	3.0
161.06009	1.4
163.03922	13.8
165.01871	1.0
165.04207	0.9
165.05562	1.3
171.04425	1.8
173.02376	1.3
173.05977	1.7
175.03961	2.9
177.05479	45.5
179.03391	2.7
181.04947	7.9
183.02942	0.9
185.05948	1.2
187.03937	8.4
189.05447	3.0
191.03409	4.8
191.07014	1.2
193.04951	3.0
201.01855	1.0
201.05446	3.0
203.03409	100.0
205.04982	27.4
209.09207	1.1
213.05443	3.3
214.02586	0.9
215.03400	10.1
217.04939	2.2
221.04538	5.1
229.05035	3.4
231.02951	7.0
231.06537	2.1
233.04449	22.7
239.03458	1.3
241.04945	1.7
242.02190	1.5
247.06053	22.9
249.03947	3.7
251.05530	12.6
257.04364	3.3
259.06027	3.6
275.05600	10.6
277.03381	3.0
277.07159	2.8
285.03870	1.0
295.04520	15.2
303.04904	4.5
321.06076	81.0
339.07147	41.6
339.11288	1.9
339.15628	3.2
339.19125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76760	0.3
51.91354	0.3
55.05514	1.8
57.07055	0.3
61.02930	0.5
63.02355	0.4
67.05504	0.4
69.03432	12.0
69.07066	1.4
69.72536	1.8
71.01337	0.4
77.97083	0.3
79.05509	0.5
81.07061	1.6
82.30185	0.3
85.02902	0.4
85.06532	0.4
89.03419	0.4
89.03932	4.5
91.05472	0.5
93.07043	0.7
95.08604	2.4
97.02895	1.3
97.10170	4.8
99.04459	0.5
103.05443	0.4
106.04154	0.5
107.08562	0.4
109.02898	0.7
109.10162	0.6
111.08099	1.1
117.03382	19.2
119.08548	0.3
121.10172	0.7
123.11660	0.5
125.09667	0.7
127.03914	5.9
134.03642	1.4
135.04439	1.5
136.59744	0.3
139.11176	0.5
143.10695	2.2
145.02852	51.5
147.11717	0.4
149.05986	6.8
163.03891	3.3
177.05476	100.0
178.05858	0.4
186.05502	1.3
189.05362	0.4
195.06500	0.9
201.05426	0.4
215.07042	0.4
231.06548	0.4
233.08034	0.4
246.05270	1.1
261.07684	0.7
303.23074	0.6
318.27890	0.3
321.09702	3.1
321.24200	1.4
339.10815	1.9
339.25357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
57.06499	0.3
60.25178	0.3
63.02400	0.4
63.66011	0.3
69.03429	10.7
69.07059	0.6
70.96486	0.3
70.96819	0.7
79.05506	0.4
81.07063	0.4
85.02900	0.8
89.03908	4.5
91.05473	0.5
93.07048	0.3
95.08625	0.5
97.02883	1.0
98.09692	0.5
99.04436	0.4
107.08607	0.5
109.02869	0.5
109.10173	0.4
111.04478	0.3
117.03379	17.5
127.03922	4.0
134.03644	0.9
135.04468	0.7
145.02846	48.7
147.04431	0.5
148.84221	0.3
149.05981	7.0
150.55988	0.3
163.03833	0.6
177.05469	100.0
178.05753	0.5
186.05482	0.7
195.06500	1.2
216.91612	0.3
233.08107	0.3
238.30298	0.3
243.06580	0.3
261.07660	0.4
321.09763	2.3
339.10767	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.40534	0.2
58.99699	0.2
61.02934	0.4
63.02403	0.3
69.03435	12.0
69.86516	0.8
81.03432	0.7
81.07065	0.3
85.02917	0.7
89.03928	4.6
89.49727	0.2
91.05479	0.4
97.02879	1.0
97.10180	0.2
98.21410	0.3
103.05499	0.4
106.04190	0.3
109.02895	0.7
114.14384	0.2
117.03389	18.1
127.03931	5.2
134.03664	1.4
135.04445	0.6
137.05988	0.3
145.02858	48.2
149.05994	6.7
163.03909	0.6
177.05482	100.0
178.05844	0.5
186.05536	0.8
189.05557	0.3
195.06546	1.5
215.07072	0.3
226.89473	0.2
231.06441	0.2
233.08141	0.5
261.07504	0.5
314.95013	0.2
321.09738	3.3
339.10736	2.8
345.57333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36837	0.2
55.05510	2.8
61.02929	0.5
61.48569	0.3
62.93629	0.3
67.05495	0.5
69.03432	12.3
69.07063	1.2
69.15380	2.6
71.01357	0.4
72.14429	0.2
79.05480	0.5
81.03430	0.8
81.07056	1.6
85.02902	0.5
85.48850	0.2
89.03914	5.4
91.05484	0.6
93.07043	1.1
93.20792	0.3
95.08601	1.7
97.02889	1.3
97.10176	5.9
97.11608	0.2
98.21552	0.5
99.04456	0.5
103.05467	0.4
105.07020	0.6
106.04180	0.6
107.08578	0.5
109.02882	0.7
109.10152	0.6
117.03382	19.1
119.04968	0.3
119.08591	0.3
121.10097	0.3
123.11697	0.5
125.09660	1.2
127.03927	5.1
133.10098	0.3
134.03662	1.3
135.04402	0.7
135.11678	0.5
135.43019	0.3
137.06020	0.4
139.11165	0.4
142.55246	0.3
143.10667	1.9
145.02847	54.0
145.10019	0.2
146.03093	0.3
147.04422	0.6
149.05983	6.3
149.70212	0.2
157.12328	0.3
157.40727	0.2
159.11606	0.3
162.03085	0.3
163.03865	0.8
177.05473	100.0
178.05829	0.5
186.05519	1.2
189.11235	0.4
195.06540	0.9
201.05640	0.4
233.08302	0.4
235.37227	0.3
260.32355	0.3
303.23053	0.5
321.09760	2.3
321.24384	1.4
339.10776	2.7
339.25134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01884	0.4
55.05512	0.7
57.03446	0.4
66.32613	0.2
67.05520	1.4
69.03432	8.8
69.07063	1.0
69.56532	1.6
70.06584	0.4
78.04729	0.4
79.05493	0.8
81.03403	0.4
81.07064	2.7
83.04984	0.7
83.08614	0.5
84.04501	0.8
84.08112	0.5
85.02914	1.0
86.09690	0.5
89.03928	4.8
91.05487	1.0
93.07040	1.4
95.04979	0.8
95.08598	1.9
96.58134	0.3
97.02905	1.3
97.06515	0.5
97.10202	0.3
99.04462	0.6
105.07065	0.9
107.08575	1.5
109.02861	0.6
109.06511	0.6
109.10169	2.0
111.08089	0.3
117.03387	16.3
119.08614	1.0
121.10148	1.4
123.08079	0.6
123.11715	1.0
125.09706	0.4
127.03924	4.0
129.07057	0.4
130.03212	0.4
130.05034	0.8
131.08577	0.6
133.10147	1.0
134.03653	1.1
135.04434	1.1
135.11732	0.3
137.05983	0.7
137.09674	0.8
145.02853	48.2
146.05992	0.6
147.04431	0.7
147.11688	0.3
149.05994	5.9
151.11206	0.4
152.10707	0.5
161.05972	0.3
163.03938	1.0
164.07011	0.4
165.09183	0.4
165.12790	0.3
167.10608	0.3
171.11647	0.5
175.11270	0.3
177.05478	100.0
178.05821	0.6
186.05525	1.1
193.12225	0.4
195.06546	1.2
233.07858	0.4
251.98108	0.3
261.07529	0.5
293.09283	0.5
321.09647	1.5
321.24142	0.6
339.10965	3.8
339.18903	0.4
339.25177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11167	0.3
55.01861	0.3
57.03441	0.5
58.80131	0.3
61.02945	0.3
66.26252	0.3
69.03432	11.3
69.07064	0.4
69.45761	0.7
69.46172	1.1
70.06611	0.8
71.05025	0.4
78.20432	0.3
79.05475	0.4
81.07045	0.7
84.08141	0.9
85.02904	1.6
86.09727	0.9
89.03922	5.2
91.05493	1.0
95.08634	0.4
97.02902	1.2
98.20759	0.6
99.04473	0.5
103.05493	0.5
106.04191	0.5
107.04953	0.4
109.02895	0.6
110.06026	0.7
115.05452	0.5
117.03387	16.7
119.04974	0.7
121.02868	0.4
123.04440	1.2
127.03917	5.4
129.10219	0.4
131.04944	0.4
134.03661	1.4
135.04427	3.2
136.06224	0.6
136.07506	0.4
137.05978	0.4
139.03908	0.7
141.12822	0.3
145.02852	48.4
147.04411	4.9
148.03908	0.8
149.02310	0.6
149.05991	6.7
149.89920	0.4
161.05840	0.4
163.03906	9.9
164.07056	1.2
166.04973	1.5
175.03906	0.8
177.05475	100.0
178.05844	0.5
180.06598	0.4
182.08063	0.6
186.05508	1.0
187.03973	0.6
189.05467	0.6
195.06523	1.6
203.03409	12.3
205.04988	0.9
215.03365	0.9
219.06544	0.3
229.04973	0.4
231.02910	1.8
231.06502	0.4
233.04475	0.6
261.03909	0.8
279.04941	1.5
291.04974	0.7
321.09717	2.4
339.07111	0.7
339.11087	3.0
339.14975	0.7
339.19244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.01860	0.4
55.05518	0.3
57.03435	0.3
61.02926	0.7
69.03432	8.8
69.06293	0.3
70.06597	0.9
70.41596	0.9
72.08183	0.5
81.03422	0.4
81.07060	0.4
81.28891	0.3
84.04514	0.6
84.08140	0.4
85.02899	0.9
86.09711	0.5
89.03928	4.2
91.05479	0.8
91.86513	0.3
93.07033	0.3
95.18117	0.3
97.02908	1.1
99.04436	0.5
103.05495	0.7
105.07030	0.3
107.04969	0.3
107.08568	0.3
109.02884	0.4
111.04442	0.3
114.30125	0.3
117.03388	16.3
119.04932	1.1
122.06046	0.3
123.04475	0.8
127.03927	4.7
131.05000	0.4
134.03624	1.1
135.04440	1.4
137.06003	0.4
143.63274	0.3
145.02853	47.9
147.04430	6.2
149.02336	0.4
149.05991	5.8
151.03920	0.5
154.08650	0.3
161.05836	0.4
163.03914	3.4
164.06082	0.3
165.05472	0.5
173.06000	0.5
175.03796	0.5
177.05476	100.0
178.05774	0.5
186.05515	1.0
189.05443	0.4
195.06499	1.2
203.03401	11.0
205.04892	0.4
215.03462	0.4
215.07069	0.4
217.08675	0.4
231.02864	1.2
231.06447	0.6
261.03964	0.9
261.07581	0.6
279.05017	0.8
291.05045	0.6
321.09525	1.9
330.16739	0.3
339.07007	0.5
339.10730	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03940	0.3
55.05505	2.1
61.02932	0.6
63.02384	0.4
67.05493	0.5
69.03431	7.7
69.07069	0.9
69.85824	0.6
69.86240	0.9
70.06596	0.3
79.05486	0.5
81.03425	0.5
81.07058	1.1
84.07698	0.2
85.02903	0.7
89.03920	4.5
91.05482	0.5
93.07037	0.7
95.08607	1.4
95.83833	0.2
97.02895	0.8
97.10177	4.6
100.35976	0.2
105.07032	0.5
107.08640	0.6
109.02859	0.4
109.10166	0.7
117.03384	17.6
119.08615	0.3
121.10094	0.3
123.11720	0.4
125.09640	0.8
127.03928	4.1
133.10139	0.5
134.03625	0.9
135.04417	0.8
137.05951	0.4
143.10660	1.8
145.02850	48.4
147.04384	0.5
149.05991	5.9
163.03911	0.6
177.05473	100.0
178.05832	0.5
186.05476	2.1
189.11317	0.3
195.06575	1.0
215.06886	0.3
219.60139	0.3
261.07648	0.3
303.23395	0.4
321.09735	2.1
321.24216	1.0
329.96210	0.3
339.10733	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	339.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01878	0.9
55.05524	1.9
57.07080	0.6
61.02937	0.4
61.34822	0.2
63.09660	0.3
65.02843	0.3
67.05517	1.7
69.03440	10.4
69.07079	3.4
70.06596	0.5
71.05022	0.4
71.14745	0.3
71.52731	0.3
79.05509	1.1
81.03436	0.6
81.07069	3.5
83.04974	0.5
83.08649	0.6
85.02914	1.4
85.06557	3.9
86.09708	0.5
86.87693	0.3
89.03921	4.0
91.05498	1.0
93.07059	2.7
95.04993	0.7
95.08620	2.8
97.02909	1.1
97.06539	0.8
97.10175	2.1
98.09672	0.3
99.08128	0.6
101.06012	0.5
105.07031	1.4
106.04218	0.4
107.04923	0.3
107.08609	2.0
109.02895	0.8
109.06547	0.5
109.10191	1.0
111.08097	6.0
111.11751	0.7
117.03397	16.8
119.04977	0.4
119.08599	1.1
121.10149	1.5
123.11743	1.7
125.06062	0.3
127.03925	4.2
131.08470	0.4
133.10179	0.9
134.03645	1.0
135.04431	1.1
135.08064	0.3
135.11732	1.2
137.06038	0.6
137.09732	0.3
137.13316	0.5
139.11208	1.8
140.88448	0.3
145.02864	47.4
147.04362	0.4
147.11714	0.8
149.06007	6.1
149.13354	0.3
153.05502	0.4
153.12833	0.6
155.04869	0.3
157.12241	1.1
159.11699	0.6
161.13365	0.4
163.03934	0.9
165.12793	0.7
177.05489	100.0
178.05829	0.6
186.05405	1.3
189.05496	0.3
193.04973	3.5
195.06512	1.4
195.17557	0.4
200.79510	0.3
261.07510	0.7
275.23825	0.6
293.24606	0.3
297.07458	0.3
303.23062	1.6
321.09741	2.2
321.24249	2.8
339.04956	0.5
339.11142	3.7
339.18384	0.3
339.25003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	2-formylporphine
Peak:m/z	Relative Intensity
57.03446	0.4
57.07090	0.5
60.74396	0.3
67.05530	0.6
69.03460	1.6
73.02953	0.4
76.58716	0.3
76.76832	0.4
79.05515	0.5
81.03449	1.0
81.07054	0.6
85.67151	0.4
86.09674	0.3
91.05520	0.4
91.92388	0.4
91.93597	0.4
93.07039	0.5
108.68815	0.3
109.02905	0.6
111.04461	0.4
117.03423	0.6
121.10200	0.4
127.03970	0.6
128.12125	0.4
133.10146	0.8
138.63823	0.3
145.02910	1.5
161.78462	0.3
177.05475	3.2
234.06755	0.4
235.07550	11.3
236.08377	1.1
248.08498	0.9
249.05479	5.9
249.09209	0.6
250.06250	2.1
251.07056	0.7
253.08627	0.7
261.09113	8.6
263.07043	39.6
264.07779	5.3
265.08649	1.2
266.05762	1.1
267.06522	0.6
275.07095	1.0
277.05441	2.0
277.08478	2.4
278.09277	1.7
281.08124	3.0
282.08960	0.5
283.17020	1.1
292.07330	1.6
293.11731	27.0
295.09821	0.8
297.11221	0.6
311.12802	1.0
320.88513	0.4
321.11224	61.8
322.11499	1.1
323.09280	0.5
339.12274	100.0
340.12445	1.9
353.84567	0.4
355.41312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05518	15.4
56.96580	4.0
57.03437	7.3
57.07085	7.4
59.00828	2.7
67.05510	75.5
69.03428	5.4
69.07069	15.0
69.14874	30.0
79.05490	41.3
81.03433	7.1
81.07059	94.0
83.08642	7.8
83.19624	3.3
86.32726	3.1
91.05485	20.5
93.07042	56.9
95.04964	5.8
95.08615	90.5
97.10165	8.3
98.20649	5.1
98.97562	4.5
105.07046	21.8
107.08604	43.1
109.02885	3.6
109.09460	5.6
109.10156	53.3
111.61934	3.0
114.89255	2.8
117.07034	10.3
119.08598	19.4
121.10162	40.1
123.11710	14.4
131.08560	16.1
133.10139	20.9
135.11696	29.2
137.13326	4.1
145.02890	5.8
145.10138	21.0
147.11693	14.1
149.13278	22.8
151.11195	3.7
159.11702	21.9
159.79889	3.1
161.13274	4.1
163.14804	8.1
173.13251	14.6
177.05475	10.5
184.52789	3.3
187.14836	5.9
193.04910	5.0
229.19522	37.6
247.10927	6.8
247.20601	100.0
265.21655	7.0
283.17194	3.7
288.13800	3.5
321.24243	14.3
339.18402	4.2
339.24957	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	3.3
55.05520	16.4
57.03432	6.0
57.07074	4.1
65.03939	3.5
67.05508	91.0
69.03421	1.9
69.07066	11.3
70.64091	4.8
71.04990	3.8
79.05067	3.5
79.05495	43.8
81.07060	98.0
83.04957	2.3
83.08614	7.9
85.06545	4.5
91.05486	25.1
93.07049	62.4
93.42930	1.7
95.04976	3.5
95.08610	94.3
97.06544	3.4
97.10172	4.4
99.08134	2.8
105.07034	23.8
107.08598	49.8
109.10158	52.1
117.07003	9.2
119.08588	19.6
121.10152	43.4
123.08009	3.0
123.11716	17.6
125.09605	2.2
131.08577	20.4
133.10138	20.8
135.11700	31.1
135.25569	1.6
137.09669	3.5
137.13252	5.2
139.11180	2.2
143.08467	1.7
145.10147	22.6
147.11690	16.4
149.13264	19.1
151.11189	2.7
159.11693	19.8
161.13255	6.9
163.14824	7.3
165.12799	3.8
172.11058	1.9
173.13281	12.1
175.11176	2.5
175.14983	1.7
175.78334	2.0
177.05486	4.3
177.12805	2.1
187.14818	7.5
204.64993	1.9
219.21124	4.9
224.69974	2.0
229.19513	32.6
247.20575	100.0
249.48479	1.9
260.89398	2.0
265.21729	6.3
271.57349	2.2
283.16965	10.8
303.23193	3.6
321.24173	20.5
339.25323	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03941	1.3
53.75178	0.3
53.97548	0.4
55.01876	0.5
55.05514	31.8
57.03439	15.0
57.07077	12.9
65.03933	0.6
67.05506	20.9
69.07070	41.6
69.56457	0.4
71.04993	1.6
71.08636	6.2
73.06543	0.4
79.05491	9.8
81.03400	0.4
81.07060	23.4
83.04996	1.0
83.08624	26.8
85.06534	0.9
85.10184	3.5
91.05468	1.3
93.06487	0.7
93.07048	12.3
95.08609	23.3
97.06532	4.0
97.10172	16.0
98.09605	0.5
98.10503	0.4
99.08128	0.9
101.06058	0.5
105.07033	0.6
107.08601	8.1
108.20255	0.4
109.09467	0.7
109.10162	9.6
111.08069	2.8
111.11734	3.8
121.09325	0.8
121.10149	11.1
123.11707	2.8
125.09627	1.4
125.13284	0.7
135.11705	9.1
137.13252	1.1
137.60863	0.4
139.11172	1.6
145.10135	0.5
149.13274	4.1
151.14789	1.0
153.12766	1.3
163.14833	1.6
165.16443	0.7
167.14325	0.6
177.16396	0.8
181.15868	0.6
191.18065	0.7
205.19487	0.6
247.24277	2.8
250.07745	0.5
265.25253	4.3
321.27908	0.8
339.28946	100.0
340.29337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03928	0.9
55.01874	0.7
55.05516	26.9
57.03157	0.6
57.03443	12.3
57.07080	13.0
65.03923	0.6
67.05511	18.1
69.07074	36.9
70.06589	0.8
70.96398	0.9
71.04984	1.3
71.08639	6.1
79.05497	8.1
81.07063	21.7
82.07394	0.4
83.04972	1.2
83.08625	24.5
85.06537	1.7
85.10191	3.9
88.07603	0.6
91.05483	1.4
92.59727	0.4
93.07047	10.3
95.08612	22.3
97.06554	4.7
97.10179	14.4
99.08095	1.5
99.84763	0.6
104.40602	0.4
105.07038	0.6
107.08603	7.0
109.10160	10.8
109.54417	0.5
111.08113	2.7
111.11732	4.6
112.00306	0.5
119.08625	1.0
119.40520	0.4
121.09328	0.9
121.10148	11.1
123.11716	2.8
125.09624	2.3
125.13328	0.7
135.11697	8.1
137.13268	1.8
139.11166	1.3
149.02354	1.4
149.13249	4.2
151.14835	1.9
153.12767	0.9
155.66110	0.5
163.14868	2.0
165.16422	1.1
177.05489	1.0
177.16379	0.7
191.18007	0.8
193.04942	2.6
195.17513	0.6
224.65700	0.9
247.24188	4.6
256.26419	1.1
265.25281	7.5
320.64005	0.5
339.28961	100.0
339.77902	2.2
340.29300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09213	0.5
53.03937	1.5
55.01865	0.7
55.05514	25.3
57.03440	14.7
57.07078	13.1
67.05507	17.8
69.07069	35.9
69.33280	2.1
69.33701	2.3
71.04982	1.5
71.08636	5.9
73.06573	0.5
75.74037	0.5
76.31077	0.5
79.05064	0.7
79.05492	7.9
79.82530	0.5
81.06589	1.1
81.07058	21.7
83.04966	1.0
83.08622	23.4
85.06532	1.6
85.10178	2.5
89.94986	0.5
91.05475	1.7
93.07048	10.6
95.08611	20.5
97.06544	4.0
97.10174	12.1
99.08069	1.1
107.08611	6.9
109.10152	10.0
111.08097	3.2
111.11723	3.2
121.10146	10.4
123.11688	2.0
125.09608	1.6
125.13294	0.7
135.11693	7.5
137.13252	1.2
139.11192	1.6
149.13277	4.2
151.14798	1.0
153.12695	0.9
163.14830	1.9
177.16377	1.1
181.15942	0.7
191.17935	0.8
193.04994	0.7
247.24217	2.2
265.25180	3.4
321.27548	0.9
339.28943	100.0
340.29153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.9835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37453	1.6
59.81642	1.5
71.51353	2.1
77.43835	1.8
78.15823	1.8
94.93021	8.9
98.57288	1.7
119.92540	3.3
136.94032	3.9
173.97227	5.0
188.93518	2.3
195.97755	5.8
212.85194	6.3
217.96196	5.2
219.94109	54.6
221.95686	10.8
249.95175	13.6
261.92667	2.5
261.95203	3.7
263.92725	6.7
279.96219	100.0
339.98343	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.5
70.06590	1.6
71.08635	17.6
71.51513	0.6
78.20120	0.5
84.08154	0.7
85.02903	1.0
85.04028	0.5
86.09718	1.2
88.11272	100.0
95.06118	0.7
107.08630	0.5
110.07175	1.3
120.08102	0.8
123.04459	0.7
124.05122	0.5
125.05981	0.5
136.05040	0.7
136.06136	0.5
139.03941	0.6
143.07088	0.6
143.11740	0.5
178.05014	1.6
179.03398	4.1
192.33698	0.5
200.12407	0.5
312.16498	0.5
340.09961	0.8
340.15924	0.5
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
53.03921	1.2
55.05514	11.3
57.07073	13.4
61.02920	2.8
67.05515	2.0
69.03430	6.9
69.07072	100.0
70.06572	2.1
70.87040	2.5
73.02925	2.0
83.08620	35.9
85.02911	13.7
86.09725	2.0
95.08641	1.4
97.02899	4.2
100.11225	3.8
109.02842	1.5
109.06554	1.3
117.03385	2.5
118.03720	2.5
120.08077	1.4
125.13284	6.8
127.03932	2.2
136.06154	1.3
143.14310	20.6
145.02841	4.2
145.04990	2.0
146.03181	3.7
161.15375	69.7
177.05489	8.9
178.05827	16.4
204.67696	1.5
271.52182	1.2
295.73013	1.3
321.91669	1.4
340.10904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01866	6.5
55.05523	11.5
55.73962	2.2
57.03429	7.7
67.05180	2.9
67.05509	33.3
69.03429	5.3
69.07059	8.7
71.05014	2.7
75.41887	2.3
78.43502	1.9
79.05506	16.4
79.52546	2.2
80.31397	2.0
81.07059	44.5
83.04993	21.2
83.08622	3.6
83.68839	2.1
83.79897	1.9
85.06554	5.7
85.86395	2.1
91.05485	32.5
93.07041	25.3
95.04976	6.4
95.08615	9.5
97.06532	4.9
105.07040	36.2
107.05000	2.9
107.08603	34.2
109.06528	5.6
109.09473	4.2
109.10163	60.6
111.08119	2.4
117.07021	3.0
119.08607	3.0
121.10127	3.0
123.08081	1.9
123.11694	19.1
124.17323	1.8
127.07583	2.2
131.08542	4.6
133.06525	3.7
133.10138	84.5
135.11726	2.6
141.09146	2.4
143.08562	2.4
147.11740	2.5
149.09592	4.2
151.11186	100.0
157.10187	2.0
161.09612	3.2
169.82768	1.8
174.14314	2.2
177.09142	2.3
179.10692	13.5
180.17961	1.9
183.13814	34.2
229.14360	4.1
263.20068	3.8
273.18506	9.0
291.19574	9.0
298.85602	2.1
305.21140	6.8
339.77945	4.8
340.29401	4.6
340.39297	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02391	0.2
53.03980	0.2
55.01862	0.2
61.02924	0.3
64.35416	0.2
68.21626	0.2
69.03416	0.7
69.20477	2.1
77.03908	0.4
81.03416	0.3
85.02916	2.0
89.03919	0.5
95.04949	0.3
96.14065	0.2
97.02895	0.7
98.20650	0.2
105.03396	0.4
109.02881	0.4
117.03352	0.2
123.04441	8.5
123.05343	0.5
127.03953	0.4
133.02858	7.0
135.04424	1.5
151.03915	2.9
151.23317	0.2
179.03404	100.0
180.03758	0.7
295.68280	0.2
341.08704	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33603	0.5
55.01883	0.5
57.03437	4.7
57.40584	0.5
59.04997	0.7
59.64061	0.5
59.84249	0.5
61.02914	2.0
69.03430	2.3
70.90936	1.0
71.04989	2.2
71.08633	1.9
78.18085	0.5
79.05499	0.7
81.03418	1.2
81.07067	1.9
81.72926	0.6
85.02912	11.6
85.06505	1.1
85.28193	0.5
97.02898	2.9
99.08101	12.3
107.34837	0.6
109.02886	1.4
109.06531	2.6
109.07661	0.8
117.09142	100.0
118.09483	0.5
121.06557	0.5
127.03893	1.8
127.07560	4.5
145.04967	1.5
148.59296	0.5
163.03938	1.0
163.09665	16.2
179.03444	0.9
252.28964	0.6
310.17523	0.6
342.20261	0.8
356.11771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.4
61.02925	1.5
67.51332	0.6
69.03432	3.5
71.04984	2.2
71.08626	2.2
71.24955	0.7
73.02911	0.8
79.05481	0.7
81.03397	1.0
81.07059	4.1
84.58527	0.6
85.02913	12.9
88.04673	0.6
91.03909	0.6
97.02891	3.5
99.04464	1.0
99.07483	1.2
99.08092	13.6
109.02894	1.4
109.06549	2.9
109.07618	3.2
110.07150	0.9
117.09136	100.0
119.58042	0.6
121.06509	0.7
127.03933	1.7
127.07582	3.6
145.04976	1.8
153.06601	1.0
163.03860	1.3
163.08308	1.4
163.09657	17.8
170.09233	0.6
179.03467	1.1
180.03815	1.1
180.06622	0.8
200.96213	0.6
212.10460	0.8
310.17587	0.9
342.20346	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	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09365	0.6
50.44347	0.6
53.03942	0.7
55.01859	0.6
55.05513	8.3
57.03419	1.0
57.07075	10.6
59.05001	1.0
61.02922	1.9
69.03423	3.3
70.06584	4.0
70.17561	2.3
73.02918	0.8
81.03387	1.0
83.08617	3.1
85.02912	13.6
86.09694	1.6
87.04485	0.8
89.00066	0.6
89.06036	30.4
91.03947	0.8
97.02896	3.0
99.04419	0.7
101.09667	13.8
107.07073	28.2
109.02856	1.7
116.07152	0.9
118.97559	0.6
126.03744	0.8
127.03934	2.0
145.04977	2.2
163.13303	100.0
178.09032	0.6
191.59830	0.6
211.14474	0.7
211.47041	0.6
224.02371	0.6
290.94247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.05505	20.8
57.03427	4.8
65.38508	4.3
67.05505	68.9
69.07067	52.3
71.04989	9.0
71.52821	5.7
79.05491	40.8
81.03413	11.7
81.07056	100.0
83.05009	7.2
83.08610	15.6
85.06556	5.5
91.05484	51.5
93.07053	51.4
95.04977	25.1
95.08614	50.0
97.06540	26.7
97.10172	4.2
98.09689	6.2
99.08100	5.0
100.46230	5.2
105.07040	41.3
107.08595	33.9
108.91008	4.9
109.06520	9.0
109.10173	16.2
111.08070	6.3
117.07034	13.8
119.08588	38.6
121.10130	25.3
123.08056	18.7
123.11709	7.6
125.49601	4.5
129.06996	5.9
131.08554	20.9
133.10147	34.8
135.11684	30.5
137.09619	14.6
145.10078	17.6
147.11708	28.8
149.09583	7.6
149.13257	13.7
159.11693	14.5
161.13255	11.3
163.11140	12.3
165.12779	6.3
172.20586	5.4
173.13300	11.0
177.12691	5.2
181.12280	22.1
195.13802	16.8
199.13438	5.4
207.13817	4.3
208.35448	4.8
213.14955	8.8
235.17126	4.5
257.19089	7.4
275.20071	54.7
289.21533	13.7
307.22687	7.8
342.25104	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69189	2.6
53.83333	2.2
55.01875	6.1
55.05270	3.3
55.05517	47.2
57.03437	2.7
59.04988	4.4
67.05505	16.8
69.03433	7.1
69.07066	20.3
69.25437	4.8
69.25848	18.9
79.05498	30.0
81.07073	20.9
83.04964	3.2
83.08616	28.0
85.85492	2.4
88.07629	3.6
91.05479	12.1
93.07058	16.9
95.04978	3.7
95.08622	12.6
97.06543	3.6
97.10180	66.4
105.07016	13.0
107.08605	88.0
109.10202	3.8
117.07008	5.8
119.08575	7.5
121.10149	6.3
125.09645	69.3
131.08578	5.1
133.10112	6.8
135.08096	15.2
135.11694	5.0
145.06389	2.8
145.10109	11.2
147.11620	2.7
149.09639	6.9
153.09076	12.5
157.12202	4.0
159.11702	4.7
163.11072	3.1
171.10216	2.8
190.15912	27.9
203.12804	100.0
215.17668	2.6
239.18129	3.4
257.18991	11.3
275.20068	34.7
289.21600	16.5
307.22717	12.2
325.14352	7.6
342.14273	3.4
342.21524	3.7
342.31644	17.5
343.18903	5.5
343.22690	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05019	0.1
57.07081	6.9
58.06606	1.2
60.04531	0.2
62.06097	2.4
65.20296	0.1
69.07079	0.3
71.08636	4.0
72.08157	1.3
78.35995	0.1
83.08573	0.1
85.10189	0.7
156.17500	1.5
170.19028	0.2
174.18556	4.6
202.21669	0.5
212.23753	1.1
226.25330	0.2
230.24814	3.7
298.34537	0.4
300.97949	0.1
324.36270	1.1
342.37314	100.0
343.37677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36044	0.6
71.10883	0.7
71.50803	0.9
71.51191	0.9
97.62628	0.6
119.01887	1.1
129.94072	0.6
134.43204	0.7
165.31145	0.8
177.00970	5.2
198.97855	1.4
201.01035	0.9
216.98927	4.6
219.02046	9.7
220.02164	2.1
222.97917	1.9
235.00043	7.6
240.98932	12.1
243.02011	1.8
253.00977	1.2
259.00012	34.8
260.00140	1.0
261.03064	9.9
262.03201	1.3
264.98972	3.2
277.01068	15.5
278.96606	1.0
283.00012	97.7
284.00153	6.0
285.00244	1.1
301.01074	100.0
302.01218	5.8
303.01056	1.1
319.02231	2.9
324.02567	2.3
325.01025	21.8
343.02121	78.6
344.02469	2.7
361.03207	13.9
366.03912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1026
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.04832	0.7
62.39607	0.8
69.03437	6.5
70.06589	1.7
71.07391	2.2
73.30081	0.8
84.58749	0.8
85.02898	1.9
89.03905	3.6
97.02875	1.9
107.04943	2.4
116.74542	0.8
117.03378	6.9
119.04912	0.9
127.03936	3.9
135.04433	12.5
145.02867	11.5
147.04431	3.8
163.03915	100.0
164.04224	1.9
165.05499	2.2
181.05023	5.1
307.08026	2.2
325.09583	0.9
343.13495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95442	0.9
53.03937	1.7
55.01863	2.8
55.05508	2.7
57.03442	4.3
57.07064	1.4
58.76788	0.7
58.99580	2.6
61.02916	3.5
65.31981	0.8
67.93504	0.7
69.03079	1.2
69.03434	12.6
69.07061	2.8
70.06605	4.8
71.04989	2.7
71.52251	0.8
72.08153	1.4
73.02906	1.7
79.05496	4.9
80.05017	2.3
81.03423	5.0
81.07059	17.7
83.04985	5.5
83.08593	0.8
84.04502	2.8
84.08124	0.8
85.02909	32.5
86.09711	3.7
86.99065	2.6
87.02697	1.5
87.04472	2.0
87.10031	1.1
91.03968	1.7
91.05485	3.6
93.07048	9.2
95.04974	20.0
95.08601	1.7
96.04506	1.5
97.02898	9.1
97.06538	2.9
99.04457	1.8
99.08099	3.6
105.07039	9.2
107.04951	2.5
107.08599	11.2
109.02859	1.8
109.06496	1.8
114.03760	1.2
116.01694	6.5
116.07094	1.2
117.06997	3.7
119.08591	4.4
121.06504	3.2
121.10147	12.8
123.04469	1.4
123.08022	1.3
125.05993	11.5
127.03925	6.5
129.07004	0.8
130.05003	1.8
130.07813	3.5
133.06572	1.5
133.10127	1.0
135.04407	0.9
135.08096	1.4
135.11682	6.0
137.05971	1.6
137.09653	0.8
139.03969	1.2
142.03224	11.3
144.01137	2.8
145.04942	7.1
145.10123	16.7
147.04425	1.5
147.08000	1.1
149.05988	1.2
151.07474	0.8
153.05507	1.4
159.69540	0.8
161.09586	1.4
162.02199	10.5
163.03922	1.4
163.11183	100.0
164.11653	1.1
165.09108	1.8
168.83730	0.7
170.02693	6.5
175.03944	4.5
175.11270	0.6
179.03412	1.9
181.12234	16.8
183.10135	1.2
187.11201	1.1
199.05371	1.4
205.12189	1.1
207.08354	1.0
223.13298	1.8
245.05878	3.1
260.09528	1.3
265.08575	1.1
289.14432	1.1
307.09525	0.9
307.15353	1.0
325.11255	1.1
325.16425	1.1
343.08173	3.5
343.13474	12.9
343.17560	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.93887	1.6
53.03944	4.3
55.01858	5.9
55.05519	13.2
57.03444	7.9
57.07062	6.9
59.04990	4.4
67.05514	20.6
69.03424	7.6
69.07068	5.0
70.21124	1.9
70.21466	4.7
71.04991	11.2
79.05501	16.7
81.03414	3.0
81.07050	15.8
83.04974	6.3
83.08615	2.3
85.06528	3.5
91.05482	27.5
93.07049	50.6
95.04976	42.9
95.08614	59.7
97.06528	12.8
103.05468	1.9
105.07040	58.2
107.04961	2.6
107.08591	37.2
109.06509	10.3
109.10138	3.7
115.05461	4.4
117.07025	23.4
119.08595	21.7
121.06493	11.6
121.10164	15.5
123.08089	19.0
125.05980	3.2
128.06216	5.0
129.06990	4.4
130.07808	9.9
131.08582	7.7
133.06480	3.3
133.10143	11.8
135.08055	15.5
135.11705	9.9
137.09584	2.7
142.07784	2.2
143.08569	11.1
145.10136	60.3
147.08073	10.1
147.11723	3.6
149.09612	4.5
151.07555	31.1
153.09128	2.2
155.08566	2.3
156.09344	3.7
157.10139	7.0
159.08041	2.4
159.11653	7.5
161.09642	6.0
161.13322	3.1
163.07532	2.2
163.11185	44.2
165.09100	14.8
169.10162	4.0
171.11658	4.6
173.09618	2.3
173.13313	2.1
175.11201	4.5
175.14769	2.0
177.09097	4.1
179.07074	4.4
181.10152	2.0
181.12267	3.1
187.11203	4.4
189.09061	1.8
189.12741	6.8
195.11720	3.0
197.13303	2.6
203.14305	5.7
207.10144	1.8
207.11960	2.0
207.13818	5.1
209.13312	3.1
209.15402	2.7
215.14346	3.9
221.15385	26.3
223.14906	2.5
225.12848	2.8
233.15358	4.0
240.23230	2.3
263.16492	6.5
269.15573	2.9
285.18661	2.3
286.19363	4.2
287.16388	2.5
287.19901	2.5
307.20883	1.6
325.21686	7.3
343.22696	100.0
344.23260	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.42031	2.3
53.03944	4.5
55.01858	3.5
55.05508	12.3
55.33504	2.8
57.03429	6.6
57.07064	7.6
58.69453	2.2
59.04999	5.2
59.90613	2.5
67.05506	15.6
69.03416	6.5
69.07040	2.9
69.15839	7.0
69.16248	22.8
71.05004	19.1
71.76637	2.8
77.03924	3.1
79.05495	20.6
81.07066	21.2
81.92527	2.6
83.04970	3.8
85.06537	3.4
87.39220	2.5
91.05490	25.0
93.07047	53.0
95.04976	46.6
95.08060	4.5
95.08610	54.5
97.06528	17.8
105.07042	60.6
107.04938	4.7
107.08602	39.3
109.06558	12.8
109.10132	5.2
115.05402	5.7
117.07047	22.8
119.08589	23.9
120.34968	3.0
121.06509	11.6
121.10162	17.7
123.08060	20.0
128.06180	4.0
129.06992	5.3
130.07787	13.0
131.08559	7.3
133.06516	5.0
133.10146	13.3
135.08092	16.1
135.11681	11.1
142.07764	3.1
143.08586	9.9
145.09052	5.1
145.10132	69.8
147.08046	12.1
147.11642	6.9
149.09636	6.1
151.07533	37.4
155.08533	4.2
157.10155	6.8
159.08162	3.4
159.11734	7.3
161.09604	8.7
161.13300	2.6
163.11182	51.4
165.09132	10.9
169.10109	4.0
171.11644	3.6
173.09671	3.4
175.11217	5.4
177.09111	7.6
179.07060	4.1
181.12216	3.1
183.11665	5.2
185.13193	4.7
187.11198	5.2
189.12752	8.3
193.10136	3.1
197.13301	4.7
203.14301	10.3
207.13889	6.0
209.13214	3.1
215.14415	4.4
221.15401	24.7
225.12746	3.1
233.15350	4.5
249.16197	3.7
263.16245	4.6
269.15500	4.3
286.19434	3.5
325.21664	17.7
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.75760	1.6
53.03931	2.7
53.49194	1.5
55.01871	4.2
55.05514	9.7
57.03429	6.7
57.07065	5.8
59.05005	4.5
67.05509	21.1
69.03429	10.4
69.07064	6.6
69.64059	1.9
69.97542	9.0
71.04989	17.3
78.16700	1.6
79.05133	2.1
79.05501	21.8
79.45028	2.3
81.03444	2.5
81.07066	20.2
83.04980	3.2
85.06517	2.0
91.04964	3.0
91.05484	27.6
93.06485	4.1
93.07047	52.3
95.04974	43.9
95.08611	54.2
97.06554	12.0
105.04546	2.2
105.07035	58.5
107.04935	2.7
107.08602	39.3
109.06548	12.9
109.10154	2.7
115.05455	2.4
117.07013	25.1
119.08589	18.4
121.06502	10.8
121.10146	11.2
123.08060	18.2
125.05989	2.5
129.07013	6.4
130.07784	13.8
131.08604	10.1
133.06509	3.3
133.10144	12.6
135.08055	25.4
135.11655	16.1
136.19995	2.0
137.09612	4.6
142.07761	3.3
143.08578	8.6
144.09329	1.9
145.06522	2.1
145.10141	68.2
145.11305	3.5
147.08064	11.6
147.11705	3.7
149.09613	4.5
151.07559	29.8
153.09128	3.7
156.09375	2.8
157.10135	8.4
159.11685	8.2
161.09616	7.7
161.13292	4.0
163.11191	54.6
165.09116	15.2
171.11684	4.6
173.09633	3.9
173.13232	3.2
175.11165	3.2
175.14961	2.0
177.09125	4.5
179.07068	3.7
181.10133	2.6
181.12274	2.8
183.11694	3.2
185.13268	2.2
187.11171	4.2
189.12737	7.2
191.14400	3.4
197.13275	3.6
203.14374	5.4
207.13879	3.8
209.13412	2.1
209.15346	3.8
217.12299	3.0
221.15378	25.4
240.23192	3.7
263.16452	8.5
286.19281	5.2
287.16541	3.6
325.21579	9.0
343.22681	100.0
343.26309	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18363	0.5
57.03423	0.9
57.71545	0.5
61.02915	1.9
67.71322	0.5
69.03449	3.1
69.03755	0.5
69.94952	1.8
73.02929	0.7
81.03411	1.7
85.02911	15.1
91.05487	4.4
97.02899	3.5
106.00274	0.5
109.02859	0.6
119.04950	15.8
123.04411	2.5
127.03934	1.9
145.04936	3.7
145.19469	0.5
147.04417	100.0
148.04767	0.9
159.28503	0.5
163.05981	0.7
165.05486	50.1
180.08736	2.2
182.08203	0.7
329.58829	0.6
344.13293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75335	0.7
62.36857	0.7
64.05714	0.9
69.03423	1.2
70.66425	2.3
77.69524	0.7
84.33331	0.7
85.02918	4.9
91.05493	6.9
96.36545	0.7
97.02918	1.4
103.22462	0.7
110.16322	0.9
112.96243	0.7
114.12910	0.8
114.23407	0.8
119.04963	22.1
127.03885	0.9
133.08665	1.1
147.04431	100.0
165.05501	55.9
165.07565	1.0
180.08873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52520	0.6
69.03432	1.1
69.82191	0.6
70.66512	1.6
85.02911	2.5
89.06048	9.2
91.05492	5.3
97.02895	0.9
101.00608	0.9
108.23084	0.7
119.04111	1.5
119.04952	16.5
122.02689	0.9
132.01158	1.1
133.08623	4.3
147.04428	100.0
165.05498	46.9
167.07086	1.6
177.11223	1.8
180.08650	1.1
190.05325	1.2
283.17685	0.7
327.20038	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16921	0.8
51.97134	0.7
55.01874	1.3
55.05503	1.9
57.03440	0.9
60.04516	1.8
67.05490	3.1
69.03414	2.5
69.07060	1.5
69.42821	6.2
69.88224	0.8
70.02947	0.9
70.06591	4.8
71.04994	0.9
72.04510	1.0
72.08141	2.3
74.95164	0.8
75.31856	0.8
79.05502	3.8
80.04998	1.2
81.03400	1.6
81.07042	4.6
82.06586	1.1
82.07405	1.2
83.01337	1.0
83.08624	1.0
84.04486	0.9
85.02892	1.3
85.04867	0.8
86.06061	1.3
86.09281	0.9
86.09711	8.6
88.03973	2.5
91.05482	2.0
93.07036	2.2
94.06554	1.5
95.04973	1.1
95.08597	3.2
96.04504	1.7
97.02945	1.0
97.06514	1.7
105.07008	1.3
107.04965	3.7
107.08605	1.0
108.04467	3.2
108.08094	1.0
110.06004	1.1
110.09700	0.9
112.07587	3.9
114.05539	1.4
116.01667	1.8
116.03465	2.6
118.06527	1.1
119.08577	1.6
122.06007	1.3
122.09679	2.0
123.08028	1.8
124.03949	2.8
124.07589	2.5
125.05970	1.9
128.10786	1.0
131.08496	1.3
132.08061	0.9
132.10233	0.9
136.03984	5.2
136.07529	0.9
137.05939	1.5
138.05519	1.3
138.09129	1.1
138.12796	1.5
140.07042	1.9
140.10710	1.3
142.03236	3.0
143.03574	1.9
147.04356	1.3
149.09537	1.5
150.05492	2.5
150.09155	2.3
152.07068	7.6
153.07817	0.9
154.12296	0.9
162.02200	2.2
162.05457	1.8
163.02548	1.5
164.10661	1.8
166.08698	1.6
166.12259	2.5
169.37981	0.8
170.02733	1.2
170.04535	0.8
171.03062	0.9
176.10695	1.6
177.05499	0.9
177.09113	0.9
178.04996	1.1
178.08710	1.5
180.06544	4.2
180.10222	1.7
182.11758	1.9
185.16496	1.3
186.11247	1.8
189.12390	1.0
190.08655	1.0
192.10152	3.8
194.11771	18.8
196.06070	1.4
204.10175	1.1
208.09766	1.3
210.11278	5.5
214.03511	5.0
220.09731	4.6
222.11267	33.3
223.04683	2.9
224.05540	10.6
238.10719	11.8
239.60951	0.8
240.12271	1.1
248.09126	0.9
256.11798	11.3
262.72925	0.8
266.10245	100.0
274.05725	1.0
279.18640	0.9
280.11926	1.1
283.06067	1.2
284.11310	24.5
298.12878	8.0
326.12354	1.0
344.13403	60.5
345.13611	1.2
362.02533	1.3
362.64450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1497
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
56.91612	0.2
63.02367	0.4
64.56779	0.3
65.03957	0.3
70.91616	0.5
78.04713	0.3
79.05507	0.4
89.03413	0.4
89.03928	5.1
91.04903	0.3
91.05488	7.1
93.07090	0.3
95.04987	1.0
95.08593	0.3
103.05514	0.4
106.04204	0.5
107.04964	0.5
117.03388	20.8
117.89874	0.2
119.04961	4.7
123.08066	0.3
134.03630	1.3
135.04430	0.8
136.05237	0.7
137.05995	0.4
145.02856	49.7
146.03160	0.5
149.05989	6.3
151.07556	7.1
152.14378	0.4
154.48918	0.2
163.03850	0.3
177.05482	100.0
178.05786	0.8
186.05521	1.2
250.84836	0.2
277.48575	0.2
300.19574	0.3
315.39395	0.3
339.57416	0.2
344.14905	3.6
344.22055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01878	1.4
55.05527	0.7
58.99604	1.8
59.05008	0.4
67.05506	0.7
69.07073	1.6
69.07949	0.4
69.40344	1.1
69.40767	1.9
70.06599	1.0
72.08156	3.6
72.35976	0.4
76.02232	3.0
77.03923	0.5
79.05482	0.7
81.07069	0.8
83.04987	2.0
83.08611	0.7
84.04501	1.1
84.08144	0.6
85.02915	0.6
86.00669	3.7
86.09710	8.8
86.99040	0.7
88.04045	0.4
91.05487	3.9
93.07045	7.5
95.04987	1.7
95.08614	1.0
97.06551	0.8
98.20767	0.8
101.00600	3.6
102.37277	0.4
103.05481	0.6
105.00082	1.3
105.07040	0.7
107.08607	1.9
107.87910	0.4
109.10153	0.8
111.08087	1.3
119.08551	0.9
121.06522	6.6
121.10138	0.9
122.02744	7.2
123.08067	4.2
125.09643	1.2
130.05045	0.6
132.01170	5.9
135.07997	0.4
135.11703	3.8
137.09648	0.8
139.07565	0.6
145.10152	0.6
147.04358	0.6
149.05991	100.0
153.09000	0.4
159.11745	1.0
163.11171	3.0
171.43059	0.4
177.12703	0.7
185.16483	5.4
187.11145	0.4
199.18037	0.4
202.61552	0.4
205.12253	67.6
213.16103	2.3
223.13229	0.5
300.19702	0.5
326.14093	0.5
331.01892	0.4
344.15237	4.8
344.20728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05497	1.0
67.05474	1.4
68.05004	0.7
69.07053	1.0
70.06590	0.6
71.52558	0.6
72.08157	1.1
79.05490	4.8
80.04985	1.7
81.03397	0.7
81.07059	3.3
82.06526	0.5
83.08586	0.8
84.04488	1.2
84.08096	0.6
85.02884	0.5
86.09679	1.2
91.05480	4.3
93.07041	3.3
94.06548	0.5
95.07275	0.4
95.08635	2.8
103.04814	0.5
103.05471	10.8
105.07031	2.7
107.04959	5.9
107.08556	1.6
108.08125	15.1
108.18281	0.5
109.08916	0.9
109.10152	0.7
110.09623	0.7
114.05471	0.7
119.08544	1.4
120.08109	3.2
121.06496	0.6
122.08891	0.6
122.09673	9.0
123.10433	1.3
129.07033	0.8
130.04950	0.7
130.06538	3.6
131.04930	6.6
132.08073	2.6
133.08493	0.5
133.10080	1.0
134.09592	1.2
135.11746	2.3
136.11223	4.5
137.13242	0.7
142.03191	0.5
146.09612	0.5
147.04285	0.5
148.11171	0.7
149.05940	0.6
150.12788	23.3
151.13579	7.7
152.14336	3.3
153.01767	0.5
153.12694	0.6
161.13237	0.9
166.08614	0.8
177.09047	0.6
180.10217	4.8
184.11211	0.4
200.10677	0.5
209.14120	0.8
218.11525	0.4
226.15808	1.1
228.10175	8.3
228.12340	3.5
230.11752	0.8
232.13316	0.5
244.13397	0.7
246.11302	5.8
246.15067	0.7
254.19125	2.2
256.13458	0.6
258.14893	0.5
270.14853	1.7
285.03818	0.5
298.18021	1.0
300.19589	100.0
301.19897	1.5
344.22220	96.3
345.22516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2224
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03938	0.3
55.05511	1.1
59.73759	0.2
67.05475	0.9
69.07030	0.8
70.06020	1.0
70.06591	0.2
70.91358	0.2
72.49227	0.2
77.86256	0.2
79.05072	0.4
79.05498	4.3
80.04990	0.8
81.07066	1.6
82.06551	0.3
83.08591	0.3
84.08089	0.3
91.05482	4.2
91.33694	0.2
93.05773	0.4
93.07056	3.6
94.06537	0.7
95.04967	0.3
95.07312	0.4
95.08607	2.1
96.08104	0.3
103.05479	10.3
105.07030	2.6
106.06588	0.2
107.04958	5.1
107.07436	0.2
107.08582	1.9
108.08123	14.7
109.06448	0.3
109.08925	1.1
109.10133	0.5
110.09642	1.1
117.07001	0.5
119.08558	0.8
120.08114	3.3
121.06506	0.3
121.08843	0.4
122.09674	9.4
123.04445	0.3
123.10469	2.6
124.11229	0.4
130.06528	3.2
131.04936	5.4
131.08603	0.3
132.08101	2.6
133.10123	0.7
134.09622	0.8
135.11703	2.3
136.11227	4.4
136.44685	0.3
137.13275	0.7
143.08586	0.3
143.73093	0.2
146.09520	0.3
148.11192	0.7
149.05965	0.6
150.12793	22.6
151.03889	0.6
151.13576	7.9
151.14806	0.4
152.14360	4.4
153.12712	0.3
153.15114	0.2
154.15912	0.3
161.13239	0.5
162.12759	0.3
164.14355	0.3
166.08629	0.8
166.12267	0.5
170.09628	0.6
172.11241	0.3
174.09079	0.4
178.08534	0.4
179.09431	0.3
179.14360	0.4
180.10205	5.4
193.08574	0.3
195.16121	0.4
198.12784	0.5
200.14404	1.5
208.13176	0.3
209.14145	0.4
212.14294	0.5
218.11748	0.3
220.09760	0.3
226.15921	1.2
228.10226	1.7
230.11896	0.5
244.13310	0.4
246.11246	1.4
246.14847	1.2
254.19040	3.2
256.13364	0.8
258.14908	0.5
264.03876	0.2
270.14905	2.3
272.16455	0.4
272.20074	0.5
297.13031	0.3
298.17957	1.2
298.21124	0.2
300.19598	100.0
301.19876	2.0
302.21140	2.6
344.22226	76.5
345.22424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
51.07737	0.5
55.05504	1.4
58.95372	0.5
59.05012	0.5
67.05492	1.6
69.07050	1.6
69.41574	0.5
70.06564	0.6
72.08132	1.4
79.05492	5.3
81.07071	2.9
82.06591	0.7
83.08582	1.5
84.04484	1.0
84.08141	0.6
85.02856	0.8
90.58184	0.5
91.05474	4.0
93.07048	4.4
94.06529	1.3
95.08601	2.0
103.05469	9.3
105.07029	3.2
107.04962	5.9
107.08607	2.9
108.08125	16.2
109.08905	1.1
109.10144	2.1
110.09674	1.1
112.23386	0.5
117.06972	0.9
120.07363	0.5
120.08130	3.3
121.06561	0.9
121.10124	0.6
122.09664	10.5
123.10422	1.5
126.03747	1.6
130.06549	3.2
131.04922	4.4
132.08078	1.9
134.09650	0.7
135.11687	2.1
136.11206	4.5
138.05539	0.7
146.09636	0.6
146.11804	0.5
148.11192	0.6
150.12788	24.1
151.13577	6.8
152.14366	3.7
160.11182	0.5
162.12852	0.7
166.08647	0.8
170.09636	0.8
178.08578	0.6
179.14299	0.5
180.10191	4.8
200.14313	1.4
205.05385	0.6
207.04884	0.6
226.16071	0.6
228.10156	1.6
228.12195	0.9
230.11772	0.7
246.11156	0.7
246.14880	1.9
254.19061	3.3
256.13354	1.2
256.21439	0.5
270.14883	2.4
272.19995	0.6
282.15155	0.6
298.17999	0.8
300.19589	100.0
301.19965	1.4
302.21210	2.9
305.49078	0.5
326.14349	0.5
344.22214	89.7
345.22452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
53.18674	2.3
55.01862	3.3
55.05496	8.3
57.03429	9.1
67.05512	24.9
69.03429	4.0
69.07072	23.4
71.04972	9.0
79.05495	27.7
81.03438	12.9
81.07063	21.3
83.04963	7.2
85.02915	3.2
85.06532	4.8
86.80859	2.3
87.02525	2.3
91.05489	14.5
92.52793	3.0
93.07055	18.6
95.04991	19.3
95.08599	15.8
97.06534	100.0
98.20708	5.5
99.08118	4.2
105.07032	12.8
106.65667	2.4
107.04955	7.2
107.08612	12.7
109.06499	7.5
109.10134	5.6
109.65075	2.3
115.07590	26.5
117.07021	6.7
119.08563	8.1
121.06472	4.5
121.10143	6.3
123.08070	3.4
131.00217	2.5
131.08556	5.7
133.10126	8.5
135.08086	3.5
135.11711	3.0
145.10095	5.3
147.04361	3.9
149.13310	3.1
158.57182	2.6
159.11647	4.8
161.09613	2.6
163.03847	4.9
177.12737	9.7
195.13791	7.3
221.15585	2.6
223.13373	3.9
254.96626	2.6
258.67883	2.5
273.18616	5.2
291.19498	6.0
344.18503	5.4
344.22263	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.5
55.01876	11.2
55.05513	25.6
57.03422	20.7
60.53974	7.3
61.37641	6.8
65.61229	7.2
67.05514	66.9
69.03429	10.9
69.07076	83.0
70.63304	25.9
71.05001	65.9
79.05495	61.0
81.03413	33.9
81.07059	87.6
83.04963	12.9
83.08646	9.2
85.06559	12.3
91.05475	47.1
93.07056	58.3
95.04980	42.8
95.08623	42.7
97.06521	100.0
99.08110	15.1
105.07035	30.3
107.04997	12.5
107.08596	42.3
109.06516	24.1
109.10164	18.9
115.07585	55.7
117.07027	24.8
118.56815	6.8
119.08568	32.3
121.06495	8.9
121.10155	24.6
123.08115	11.4
129.06993	10.5
131.08563	27.2
133.10144	20.9
135.07967	12.8
135.11673	21.8
137.09572	9.5
143.08514	15.5
145.10120	21.8
147.11719	14.3
157.10138	15.3
159.11732	30.2
161.09711	10.7
169.10086	9.1
177.12695	9.9
185.55867	7.2
195.13849	17.1
199.32384	7.9
223.13254	18.3
246.14874	15.1
251.64449	7.6
273.18460	19.5
276.52686	8.3
291.19504	16.3
302.97842	11.0
314.07721	8.3
344.12183	14.5
344.22272	12.5
344.25864	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.7
55.05513	24.6
56.05032	12.3
57.03444	4.4
57.07077	17.5
60.04521	6.3
67.05509	42.9
69.03426	5.1
69.07070	22.5
71.04971	3.5
71.08639	21.5
71.52822	5.9
74.06096	17.6
79.05493	29.0
81.03407	6.2
81.07063	54.6
83.04969	14.7
83.08614	12.1
85.06530	4.5
87.28905	2.9
88.04028	3.3
88.07630	52.8
89.06055	5.1
91.05482	20.2
93.07043	47.9
95.04972	11.3
95.08620	30.9
97.06519	11.4
97.10189	8.7
99.08107	22.8
102.05541	3.7
105.07018	18.3
106.05042	9.0
106.08655	4.9
107.04943	3.6
107.08598	17.9
109.10155	12.3
117.07043	7.6
119.08575	11.3
120.06590	7.0
121.06514	3.5
121.10159	13.0
123.08053	3.7
129.07021	4.2
131.08580	10.9
133.08667	3.6
133.10144	19.5
135.11678	14.8
137.09602	6.1
139.07584	5.6
139.11194	28.4
145.10143	7.5
147.11684	9.2
149.13261	11.9
151.11188	10.0
157.10117	7.1
159.11711	13.5
161.13231	6.3
163.11172	8.6
163.14844	3.8
165.12680	4.5
167.10497	3.9
171.11668	4.6
175.11191	5.9
175.14871	4.5
177.12711	5.9
179.14264	6.0
185.13280	6.9
189.12758	4.1
193.12321	5.5
195.13878	7.5
199.14810	3.7
217.19583	6.1
226.17944	3.8
231.21034	4.4
241.19530	7.9
259.09769	3.7
259.20557	16.1
277.21628	44.8
285.57748	4.2
291.23099	13.8
298.31128	9.4
309.24106	11.0
327.20065	4.8
344.31650	100.0
344.35165	10.4
344.38165	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	345.1698
Annotation	4-[5,10-Dihydroxygeranyloxy]-5-methylcoumarin
Peak:m/z	Relative Intensity
54.13242	0.7
61.38399	0.9
62.06947	0.8
69.07066	0.8
69.56788	4.9
79.05498	0.9
81.07048	1.7
91.05481	0.8
93.07037	0.9
95.08592	1.6
100.82092	1.0
107.08613	1.1
110.47684	0.8
119.08638	0.8
121.10172	0.8
131.08516	1.0
153.07066	1.1
155.08545	10.0
157.06364	1.0
157.10196	1.5
159.08057	1.6
159.11603	1.0
159.95248	0.7
167.08594	1.3
168.05711	2.0
170.04805	0.7
173.09634	1.9
173.85417	0.9
183.08060	13.3
185.05975	2.6
185.09589	3.1
187.07576	0.8
190.09790	0.7
195.08113	0.8
198.06828	1.1
201.09166	1.8
205.08638	1.1
210.06630	0.8
211.07558	6.3
213.09048	2.2
215.10802	1.7
217.08571	4.2
225.09096	1.6
226.06252	1.1
228.07910	1.0
229.08614	11.6
239.10658	1.2
241.08607	98.9
242.09190	2.3
243.10223	5.2
253.08589	1.7
259.09674	100.0
265.53757	0.8
267.10168	4.3
269.08124	1.6
271.09625	5.4
283.09833	1.3
283.13297	3.0
285.11243	49.5
285.14301	1.6
294.54819	0.9
301.14365	66.4
309.14688	1.5
327.15906	36.1
345.16995	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	346.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14437	2.5
55.22174	2.6
70.06591	6.3
71.51575	4.7
72.20578	2.7
85.02911	2.9
116.07108	5.5
126.29626	3.7
149.68445	2.6
212.85277	8.1
217.00459	3.5
270.22659	2.7
328.03934	4.1
346.04770	100.0
346.08948	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01874	4.5
55.05511	18.3
56.14467	1.6
57.03436	6.2
57.07061	2.4
59.05004	3.8
61.02925	2.8
65.36792	1.7
67.05508	47.8
69.03426	7.3
69.07066	23.9
71.04996	5.9
79.05497	20.3
81.03417	3.5
81.07058	43.5
83.04988	4.1
83.08621	16.6
85.02911	17.8
87.20868	1.6
91.05488	18.8
93.07056	22.3
95.04974	3.6
95.08611	21.3
97.02894	6.1
97.06565	5.4
97.10154	10.1
99.04415	1.7
99.08102	2.3
105.07059	19.9
106.41335	1.6
107.04964	4.2
107.08593	25.1
107.80415	1.6
109.02886	1.6
109.06544	3.6
109.10165	35.6
111.08087	3.6
117.07009	4.0
118.59891	1.9
119.08592	11.6
121.02839	2.4
121.10152	10.0
123.08066	2.2
123.11749	3.3
125.09614	9.6
127.03938	4.1
131.08536	9.9
133.10136	14.4
135.08055	1.9
135.11705	7.5
137.06017	1.8
137.09622	3.6
139.03883	2.7
140.22923	1.6
145.04944	4.3
145.10144	4.5
147.11690	7.0
149.02342	7.6
149.09639	6.6
149.13226	8.0
151.11218	1.9
155.10652	15.7
157.10078	1.8
159.11696	8.3
161.13239	2.4
163.11264	5.4
167.03429	16.8
173.11761	59.1
173.13185	3.0
177.12804	3.7
179.14473	1.6
185.04463	100.0
187.11160	2.1
189.11237	10.9
191.14482	2.0
195.13785	23.4
213.14807	13.4
225.32376	1.8
229.19574	3.5
239.18028	2.8
257.19086	7.2
267.68924	1.9
275.20056	53.5
293.21063	13.3
346.23639	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	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
55.76760	0.3
56.05037	7.6
57.04286	0.3
57.07078	6.2
58.06359	0.3
58.06602	4.5
60.04536	2.0
68.05024	0.9
69.03428	0.3
69.07062	0.4
69.85444	1.5
70.06596	3.1
71.08630	2.6
72.08155	0.3
74.06085	8.0
81.07018	0.3
85.02885	0.7
85.10181	1.5
86.06062	1.0
88.07635	35.0
93.07059	0.4
95.40958	0.3
98.21425	0.3
102.09187	2.1
118.08666	4.7
122.08157	4.3
127.03932	0.3
145.05013	0.4
147.55266	0.3
149.02336	0.3
164.70224	0.3
167.03415	0.7
185.04480	5.1
223.76332	0.3
235.30054	0.3
266.28363	0.4
284.26596	0.6
284.29495	6.9
298.31052	26.1
310.31213	0.3
328.32150	2.2
346.33182	100.0
347.21811	0.4
347.33527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0972
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	0.9
57.03434	1.7
61.02920	1.6
69.03435	4.8
70.96148	1.1
70.96469	0.7
81.03413	2.0
82.23979	0.7
83.01318	0.6
85.02444	1.0
85.02911	13.1
87.04430	0.8
91.03960	1.1
97.02901	5.0
99.04461	1.5
109.02856	1.7
121.02867	2.7
127.03924	2.8
136.01591	0.9
139.03920	3.5
143.03407	1.1
145.04958	3.2
147.04420	0.7
149.02368	5.0
167.03410	16.9
185.04463	100.0
264.89124	0.7
349.72983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0972
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.74840	0.2
53.03951	0.9
55.01876	0.9
57.03447	1.4
61.02928	2.5
65.03933	0.8
65.72707	0.2
68.99793	0.3
69.03430	5.6
69.13993	0.2
69.51888	0.3
69.52296	0.9
71.04979	0.7
73.02928	0.8
81.03067	0.2
81.03429	2.2
83.04985	0.2
85.02909	18.7
87.04446	0.7
91.03971	1.4
93.03397	0.5
97.02895	5.8
99.04454	0.7
105.18449	0.2
108.15408	0.2
108.52390	0.2
109.02892	1.3
111.04439	0.5
111.23149	0.2
116.60618	0.2
121.02872	2.5
125.02391	0.2
127.03926	3.8
136.01537	0.7
139.03903	2.7
143.03397	0.7
143.44736	0.2
145.04971	4.6
149.02354	5.0
162.82523	0.2
167.03412	15.5
185.04463	100.0
186.04900	0.3
209.04440	0.3
245.05832	0.2
313.21323	0.2
333.61996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01846	0.9
57.03435	1.5
59.43274	0.5
61.02929	3.0
66.87612	0.5
67.22446	0.5
69.03438	6.4
69.36673	1.5
69.37090	3.0
72.08134	0.9
73.02932	1.3
80.61452	0.6
81.03417	3.9
84.08153	1.1
85.02914	20.4
87.04493	0.7
91.03948	1.3
91.05484	0.8
93.03377	0.6
97.02913	6.8
98.97607	0.8
99.04457	0.9
109.02888	1.9
119.56994	0.5
121.02862	2.3
127.03902	3.4
136.01546	0.7
139.03912	3.8
145.04958	4.7
149.02330	5.1
167.01988	0.9
167.03419	19.9
185.04475	100.0
194.01758	0.6
209.04491	0.9
218.47049	0.6
227.05528	0.7
251.05466	0.6
263.05447	0.7
275.96957	0.6
293.06668	0.7
347.12418	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0974
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	1.2
55.01866	1.3
55.05507	1.2
57.03419	1.3
60.04517	1.0
61.02917	4.1
64.96249	0.8
65.03934	1.2
69.03429	8.1
69.78935	2.7
70.06573	1.8
71.04992	2.0
72.08153	3.4
73.02931	1.0
81.03415	3.7
83.06113	1.0
84.04502	2.7
84.08154	2.2
85.02908	22.7
86.09714	8.4
87.04444	1.4
91.03941	1.8
91.05466	1.1
93.03394	1.4
97.02893	9.9
99.04463	1.1
109.02879	2.6
110.07150	0.8
111.04465	1.1
113.68183	0.8
120.06607	1.1
121.02909	1.6
122.07186	0.9
123.04433	3.9
127.03928	4.5
128.96320	0.9
129.06619	1.3
129.10245	1.3
132.95854	1.1
135.04434	1.0
136.06166	2.6
139.03894	13.2
140.04256	1.0
143.03328	1.3
145.04898	4.8
147.04366	1.0
149.02383	5.1
159.11299	1.1
163.03865	2.0
167.03407	18.7
168.81581	0.9
169.04935	1.3
172.09584	1.1
174.96854	1.0
185.04454	100.0
201.12405	1.3
209.04602	0.9
234.98978	1.2
242.03401	0.9
301.12671	2.0
307.60043	1.0
347.13303	11.0
347.17636	1.4
363.03961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1314
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.34231	0.6
51.93163	0.6
69.03425	2.0
70.06587	0.5
71.27087	1.1
72.08153	2.0
75.42900	0.6
81.03407	0.7
84.04510	1.0
84.08138	1.9
85.02918	3.4
86.09714	1.4
97.02908	1.3
98.97598	1.0
99.11845	0.6
117.70876	0.5
118.06577	0.7
127.03925	0.8
129.10219	1.2
130.04977	0.8
130.06517	0.8
130.75095	0.6
136.06195	1.1
139.03908	0.9
149.02380	0.8
166.23915	0.7
167.03404	1.0
167.06802	2.3
170.83057	0.6
185.04404	5.9
185.07875	10.5
197.00745	0.7
203.05258	5.7
285.13077	4.2
291.91479	0.6
301.12595	17.8
347.13123	100.0
348.13358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0706
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
55.01865	0.2
56.05037	0.3
57.03431	0.6
60.04523	0.4
61.02935	0.2
67.05505	0.2
69.03430	1.6
70.06590	0.5
70.26701	0.4
70.27103	0.3
72.08144	0.6
74.06090	0.3
80.69796	0.2
81.03432	0.3
84.04523	1.0
84.08152	0.4
85.02910	6.9
86.09718	2.5
86.10191	0.3
88.04016	0.2
91.03952	0.3
94.04044	0.4
94.17028	0.2
97.02893	3.1
98.20798	0.2
98.98468	2.4
101.00896	0.2
102.05545	0.4
106.05016	0.5
115.03918	0.2
115.59336	0.2
119.01890	0.2
119.03535	1.0
122.06104	0.3
123.04435	2.1
127.03919	0.5
129.06583	0.2
129.10297	0.3
130.05031	0.2
132.10222	0.2
136.06192	100.0
136.99980	0.4
137.04568	0.8
137.06589	0.2
139.03899	0.2
144.06546	0.3
145.05023	0.3
148.06125	0.3
150.05511	2.2
151.03923	0.7
155.01837	0.2
162.07642	0.5
163.04022	0.3
164.99524	2.1
167.07024	0.3
168.06589	2.5
169.04977	1.4
173.12920	0.4
197.12903	0.2
201.12384	0.2
213.01608	0.7
215.13951	0.4
217.08182	0.3
221.05084	0.2
235.09308	0.4
243.13283	0.2
330.05963	0.6
330.11884	1.2
341.49738	0.2
348.07050	9.6
348.13235	0.6
349.09085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
56.05038	14.6
56.96575	1.5
58.06565	1.5
58.99600	8.9
60.04524	4.0
67.95238	1.5
68.05003	1.9
70.06577	4.8
71.51614	1.2
75.02699	1.6
76.02232	12.7
81.07063	2.5
82.06570	6.1
83.06088	4.3
84.04507	68.8
84.08141	2.6
85.01131	100.0
85.02892	5.4
86.09709	41.8
86.99065	2.2
87.02682	4.5
88.04009	7.4
90.05563	21.1
91.05474	2.0
97.02937	1.7
98.06039	2.8
99.05556	2.0
102.03770	93.9
102.05543	2.8
110.06008	3.1
112.03928	1.9
112.07566	2.6
113.00566	5.2
116.01699	11.6
116.07097	68.0
117.40299	1.2
119.83532	1.4
120.08174	2.3
123.04398	2.2
126.05498	3.6
128.07065	2.0
129.06615	2.6
130.03282	8.9
130.05002	14.0
136.06171	10.4
136.07498	2.2
142.03259	1.6
144.01141	4.9
147.04379	2.7
151.07539	10.2
156.06581	23.5
159.05858	2.2
168.04807	7.7
168.06036	1.4
169.05176	1.5
172.04279	2.6
176.03728	6.9
186.04761	2.1
186.11334	1.9
187.05257	2.0
193.06447	6.7
201.12387	2.1
202.05357	20.7
219.07979	61.4
219.13377	4.5
225.12216	2.5
231.07967	5.2
243.08084	1.9
259.07458	10.8
263.68878	1.4
305.07867	2.0
330.11066	2.6
348.12183	7.8
349.08948	2.9
349.12811	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
55.05508	3.8
56.05040	4.1
56.96560	2.6
57.03434	2.2
60.04527	21.7
61.01150	3.0
61.02926	3.6
65.03938	15.2
67.05525	2.0
69.03425	6.3
69.07058	2.6
70.06593	14.9
70.30878	4.3
71.64587	2.0
72.05093	1.9
72.07753	3.1
72.08154	60.7
74.06065	2.4
81.03401	4.4
84.04499	25.7
84.08150	2.1
85.02901	32.7
86.03222	2.5
86.09705	17.9
88.03987	8.6
91.03938	2.3
93.03407	16.8
97.02887	14.5
97.06515	2.6
99.04468	2.6
102.05542	25.0
102.09131	1.9
104.05326	3.4
109.02892	2.9
110.03674	4.4
110.09718	3.0
111.04443	28.6
116.07137	10.9
120.06577	61.8
123.04436	4.0
123.05379	1.7
125.05992	29.8
127.03928	3.9
136.06186	65.5
138.09166	10.3
139.03944	5.1
141.10231	2.3
145.04974	9.9
151.03894	19.4
156.10196	11.9
160.07899	3.0
167.03418	3.5
168.03821	2.8
168.06639	2.9
169.04965	100.0
175.11914	2.0
180.08626	3.4
183.11293	28.5
185.04436	14.4
186.04738	19.2
186.07518	1.9
201.12337	52.1
205.10066	2.7
211.10739	9.4
217.08385	2.1
229.11783	13.7
233.09537	2.6
257.09305	2.2
312.15512	5.8
316.97076	2.4
330.16675	4.6
348.06995	4.0
348.13275	4.8
348.16965	4.7
349.09131	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	348.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88468	0.7
55.05518	7.0
56.05033	4.6
60.04533	31.8
60.05640	0.8
61.01165	1.2
61.02923	1.4
65.03933	1.9
69.03422	2.3
69.03786	0.7
69.07050	1.3
70.02960	1.3
70.06607	8.9
71.51929	1.5
72.08164	95.2
73.10850	0.8
74.06074	1.7
81.03388	1.0
84.04512	42.8
84.08145	2.5
85.02908	7.4
86.03223	0.8
86.09729	7.0
87.10015	1.4
88.03996	8.1
88.11267	1.4
93.03431	2.2
96.08144	1.3
97.02882	3.3
102.05556	42.4
104.05353	4.7
107.23543	0.8
110.09673	2.3
111.02672	1.1
111.04449	3.8
112.07594	1.2
113.84803	1.0
116.07132	4.1
120.06594	100.0
123.04395	1.4
125.06004	3.7
127.03993	1.1
129.04573	0.9
130.05013	2.1
130.06494	1.4
136.06209	26.2
138.09163	17.1
139.03912	1.3
140.04321	0.8
140.07056	2.4
141.10260	1.7
145.04999	1.3
146.14569	0.8
151.03918	2.8
155.11848	3.7
156.10208	15.4
157.49648	0.9
160.07933	2.2
163.03943	1.1
168.06516	2.1
168.91263	1.0
169.05003	14.5
175.11998	1.9
183.11313	51.2
184.09850	1.1
185.04454	3.5
186.04855	4.6
186.07678	1.2
187.17505	0.9
187.55861	0.8
201.12366	71.0
211.10805	17.6
217.11870	1.6
219.13374	1.7
229.11864	26.7
256.98248	1.0
257.09091	0.9
278.55719	0.9
289.11331	1.0
307.12680	1.1
312.15637	8.0
330.16785	3.0
348.07010	2.5
348.13052	1.9
348.16977	3.9
349.08978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.05502	1.1
57.03434	2.4
58.99607	1.7
65.03918	1.0
70.06594	4.5
70.96250	1.0
70.96606	1.8
72.31052	1.0
76.02245	1.2
79.05502	2.6
81.07067	18.1
84.04517	15.0
84.08135	1.5
86.00650	1.7
86.09708	2.6
86.99048	3.3
87.02704	10.4
99.08099	2.8
105.00096	2.9
122.02728	13.6
123.04457	1.4
126.69212	1.0
130.04999	4.3
132.01152	2.9
139.03854	1.2
147.04437	1.2
158.43900	1.1
159.04706	3.5
185.02554	2.1
185.04239	45.6
187.03691	100.0
202.08983	18.2
203.07384	5.0
220.10085	6.4
220.43321	1.0
331.04343	1.3
331.13269	1.8
349.09006	68.7
349.14078	5.2
349.18332	6.6
352.28369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.05501	1.2
56.05016	0.8
57.03428	2.1
58.99593	1.6
69.03419	1.1
70.06585	1.8
70.91082	1.7
75.61211	0.6
76.02232	1.7
79.05495	1.6
81.07063	16.1
82.41373	0.6
83.04979	1.6
84.04508	12.0
85.02905	1.8
86.00633	0.8
86.09727	0.7
86.99056	2.7
87.02698	7.1
91.05494	0.7
97.02886	1.2
98.97586	1.4
99.08113	3.3
102.05507	0.6
105.00098	1.8
119.04967	1.2
122.02747	9.6
130.05025	2.5
132.01131	3.1
147.04428	4.3
153.12794	1.4
159.04741	2.3
169.05006	0.8
185.04240	21.9
187.03728	5.0
188.03815	0.7
202.08989	16.3
203.07411	4.9
220.10066	3.6
225.00732	0.8
237.67352	0.6
243.01730	0.9
251.06915	1.3
286.11172	1.2
331.13199	1.6
347.04346	0.7
349.08969	100.0
349.13440	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	349.0899
Annotation	Pibocin B
Peak:m/z	Relative Intensity
52.78018	2.4
54.54115	2.6
64.90791	2.6
71.51316	4.9
71.61064	2.6
73.22894	2.6
95.42612	2.3
98.01176	2.3
130.67690	2.6
155.73058	3.3
248.89772	3.4
349.08966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01873	17.0
55.05272	2.4
55.05517	39.9
56.96558	2.7
57.03439	20.4
61.02931	2.8
65.03941	4.4
67.05508	49.2
69.03419	2.9
69.07074	27.4
69.27235	2.2
71.04972	4.2
77.81128	2.0
79.05497	82.5
81.03401	7.2
81.07061	43.3
83.04972	9.2
83.08617	9.9
85.02907	7.7
85.06547	3.2
86.09723	2.4
91.03937	4.3
91.05486	59.3
91.06026	4.5
91.71505	2.4
93.07050	49.4
95.04961	8.1
95.08607	25.0
97.02922	3.5
97.06522	17.4
97.10179	14.9
105.07037	57.1
107.04957	17.8
107.08601	95.1
109.06519	7.1
109.10162	15.6
111.08061	4.9
117.07021	16.7
119.08594	34.2
121.06535	5.6
121.10155	18.1
123.08067	3.4
123.11697	3.9
125.09647	14.8
127.03870	2.3
129.07031	8.9
131.08571	22.3
133.10123	35.9
135.08083	5.4
135.11728	8.4
136.22919	2.1
141.07028	3.4
143.08542	10.5
145.10130	78.9
147.04420	2.9
147.11703	28.2
149.09624	27.5
155.08514	3.5
157.10182	6.3
159.11690	22.5
161.09621	3.2
161.13287	8.2
163.11153	10.3
167.03476	2.8
169.10161	7.2
171.11684	11.8
173.11777	3.4
173.13293	6.1
177.12756	5.6
179.14349	4.1
183.11684	7.3
185.04555	7.4
185.13365	4.2
186.04839	2.2
187.04982	5.5
187.14865	3.5
189.11203	11.5
197.13243	4.6
229.19572	2.4
239.17911	12.5
247.20352	2.9
257.19022	52.7
267.09067	6.0
275.20081	68.3
285.10135	6.3
293.20926	2.4
331.22678	9.6
348.65198	4.4
349.20486	5.0
349.23788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.61720	1.5
53.03935	6.0
55.01876	13.0
55.05515	29.0
56.96571	3.1
57.03445	18.4
57.07074	1.7
59.04990	1.6
61.02943	2.9
63.34320	1.4
65.03942	3.3
67.05508	45.5
69.03408	4.9
69.07070	39.5
71.04997	4.0
71.11222	2.4
74.64389	1.3
79.05497	61.9
81.03422	5.3
81.07059	42.5
81.81892	1.6
83.05000	7.1
83.08627	11.7
85.02917	2.9
85.06548	3.5
87.54807	1.3
91.05486	45.7
93.07049	42.9
95.01328	2.3
95.04990	8.2
95.08614	29.4
97.02915	2.7
97.06535	14.4
97.10197	10.4
99.08081	1.7
103.05485	2.5
105.07033	54.4
107.04963	14.4
107.08595	55.1
107.09308	3.3
109.06519	6.7
109.10159	15.8
111.08090	3.5
117.07031	17.9
119.07796	2.7
119.08587	30.3
121.06531	4.0
121.10149	15.0
123.04462	1.6
123.08077	4.4
123.11728	3.5
125.09634	11.1
127.03880	1.4
128.06200	2.6
129.07034	4.9
130.07787	2.2
131.08565	30.8
133.10144	30.9
135.08041	5.8
135.11716	10.9
137.09579	3.3
141.06944	3.1
143.08568	7.1
145.10121	51.6
147.08083	1.9
147.11693	25.1
149.09639	19.7
149.13268	5.2
155.08556	3.3
157.10133	5.1
159.08096	2.3
159.11699	20.9
161.09615	3.3
161.13286	7.7
163.11157	9.6
169.10167	4.7
171.11716	8.9
173.09798	1.7
173.13300	7.1
175.11186	2.3
177.12781	6.2
179.14313	7.2
181.12268	2.4
183.11716	4.9
185.04483	3.9
185.13278	2.5
186.04726	2.1
187.04965	2.5
187.11195	3.4
187.14792	1.7
189.11275	5.9
189.12787	2.2
197.13316	6.1
201.12805	1.7
211.14960	1.6
213.16298	1.5
215.17946	1.9
229.19455	7.5
239.17982	12.8
247.20602	3.6
257.19000	32.4
270.11301	2.0
275.20065	66.2
292.07462	2.2
293.21237	2.5
306.08957	2.5
307.09570	8.4
331.22720	5.5
340.15182	2.8
348.65335	3.5
349.14627	7.8
349.23782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89233	1.8
52.62344	1.8
53.03952	14.9
54.00297	2.1
55.01875	15.3
55.05270	2.2
55.05512	27.5
56.96560	2.1
57.03441	21.7
61.02921	5.7
63.75414	2.1
65.03934	5.6
67.05511	76.7
69.03419	5.7
69.07074	67.2
71.04980	4.3
79.05496	55.4
81.03420	26.4
81.07059	96.2
83.04969	13.3
83.08620	12.9
85.02896	7.1
85.06535	4.6
91.03922	3.1
91.05488	76.3
92.39405	1.8
93.07047	65.9
95.01328	20.7
95.04961	24.6
95.08613	55.9
97.02898	6.2
97.06539	28.0
97.10172	3.7
99.08115	3.3
103.05468	4.2
105.04494	2.7
105.07037	96.6
107.04227	2.6
107.04957	45.3
107.08589	33.9
107.92514	1.9
109.06528	9.1
109.10165	15.9
111.08068	7.8
116.06271	3.3
117.07021	27.2
119.08581	65.4
121.06506	9.1
121.10155	13.9
123.04414	4.0
123.08096	10.4
123.11658	4.5
125.09653	5.4
128.92911	2.1
129.07022	5.4
131.00148	2.1
131.05017	2.6
131.08577	40.5
133.10136	60.7
135.08044	8.2
135.11688	17.3
137.09587	4.4
139.07607	2.4
141.07018	6.5
142.07697	2.4
143.08551	5.3
145.06491	8.4
145.10139	31.3
147.11696	27.9
149.09630	11.9
149.13239	12.6
151.11165	4.2
155.08702	2.1
157.10118	6.7
159.08009	3.0
159.11699	23.9
161.09616	2.7
161.13258	8.6
163.11215	5.6
165.09100	3.3
169.10115	5.3
170.23793	1.9
171.11739	6.1
173.13269	7.2
175.11276	3.0
175.14864	2.0
177.12737	9.8
179.14317	29.8
183.11697	5.7
184.66525	1.9
185.04520	3.6
185.13254	3.1
187.04924	3.9
187.11185	7.1
193.12396	2.8
195.13766	3.7
197.13254	3.9
205.12225	3.3
210.09476	2.3
219.13786	2.4
239.17935	4.5
241.14435	3.0
247.09694	3.6
247.20551	6.3
252.42479	2.6
257.19052	13.9
259.10889	3.9
268.11462	3.3
269.10522	3.3
271.09726	4.6
275.20068	100.0
276.20703	2.4
285.10144	4.0
289.10580	2.6
293.21152	2.2
298.68143	2.3
307.09402	3.4
308.08044	3.5
333.11298	2.4
340.15289	5.3
345.06448	5.9
349.15329	3.8
349.20126	5.1
349.23767	86.5
349.30872	3.1
350.23871	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03746	1.9
53.03953	17.9
55.01877	16.3
55.05519	25.0
57.03441	25.5
57.07081	1.9
65.03933	5.2
67.05509	80.9
69.07074	66.9
69.28308	3.6
69.28716	13.0
71.04978	4.0
79.05500	62.4
81.03426	37.1
81.07060	93.8
83.04993	13.6
83.08643	12.2
85.02909	2.2
85.06544	4.0
91.05487	77.2
93.07048	66.5
95.01331	26.4
95.04983	21.3
95.08611	60.3
97.02935	1.6
97.06535	29.5
97.10178	5.0
99.08070	2.7
103.05486	1.6
105.07037	100.0
107.04971	44.0
107.08607	29.0
109.06517	9.3
109.10164	13.2
111.08101	7.4
115.05450	4.1
117.07032	31.9
119.04917	2.0
119.08588	56.7
121.06513	6.6
121.10168	18.5
123.04427	3.3
123.08093	12.3
123.11720	3.4
125.09638	3.7
129.06989	4.3
130.07799	2.1
131.08582	40.6
131.09538	3.1
133.10138	62.5
135.08069	7.4
135.11729	16.8
137.09631	4.6
139.07520	3.7
141.07048	3.9
143.08549	8.7
145.06462	8.6
145.10121	31.1
147.08105	2.2
147.11697	30.3
149.09615	8.8
149.13268	8.4
149.33278	1.9
151.07553	2.0
151.11226	3.4
157.10159	6.2
159.08089	3.8
159.11707	24.4
161.09615	2.0
161.13261	9.8
163.11252	6.4
165.09131	3.5
169.10152	6.6
171.11702	6.0
173.13254	7.3
177.12793	11.1
179.14320	31.0
183.11740	3.5
187.11197	7.1
187.14821	2.2
195.13820	3.6
197.13341	5.4
201.12848	2.3
205.12215	2.9
219.13718	2.1
223.13326	3.2
229.19550	4.5
239.18018	3.2
241.14287	1.9
247.20532	3.3
256.49344	1.9
256.97003	1.8
257.19077	10.7
267.09091	2.5
275.20081	92.5
285.10074	4.9
293.21277	2.4
349.23770	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03946	9.2
55.01878	9.8
55.05515	34.0
57.03190	2.0
57.03440	22.1
57.07062	2.7
61.02917	2.3
65.03931	3.7
67.05505	94.5
69.03440	3.6
69.07068	30.7
70.10201	5.2
70.10595	3.8
71.04978	8.0
79.05495	87.2
81.03405	8.6
81.06593	4.0
81.07058	80.5
83.04984	14.8
83.08626	9.9
85.02885	4.0
85.06541	2.4
91.05483	82.6
93.07047	69.4
95.01307	3.0
95.04970	11.8
95.08607	49.8
97.06548	11.1
97.10147	4.7
98.21416	2.4
99.08119	3.4
103.05500	2.0
105.04496	2.1
105.07034	84.5
107.04948	10.7
107.08598	45.1
109.06511	5.1
109.09469	3.2
109.10158	34.2
111.08060	5.7
115.05444	3.7
117.07014	22.1
119.08584	72.1
121.06512	6.3
121.10149	25.9
123.08062	5.7
123.11695	6.8
125.09607	5.8
129.07059	9.3
131.08582	32.3
133.06508	2.9
133.09117	3.8
133.10136	67.4
135.08049	12.5
135.11679	12.1
137.09596	8.3
141.07018	3.6
143.08534	6.4
145.06522	2.8
145.10117	27.6
147.08127	2.1
147.11690	39.7
149.09619	26.6
149.13271	9.1
151.11128	2.8
152.07228	2.2
155.08540	4.1
157.10132	6.0
159.07925	1.9
159.11702	21.8
161.09657	2.6
161.13254	11.2
163.11197	7.7
163.14801	3.3
169.10100	2.9
171.11705	6.7
171.25912	1.9
173.13277	16.5
175.11206	3.1
177.12675	3.8
179.14323	5.9
181.03799	2.0
183.11674	5.6
187.11200	2.5
187.14769	2.4
189.11209	2.6
191.14293	2.3
193.12469	2.2
197.13232	4.6
201.12752	2.4
229.01413	3.3
229.19498	4.8
239.18094	4.7
247.20609	9.8
257.19009	15.3
267.09055	4.0
269.10715	3.6
275.20068	90.0
285.10181	2.9
331.22757	2.9
349.23746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03938	9.0
55.01873	17.0
55.05272	2.4
55.05517	39.9
56.96558	2.7
57.03439	20.4
61.02931	2.8
65.03941	4.4
67.05508	49.2
69.03419	2.9
69.07074	27.4
69.27235	2.2
71.04972	4.2
77.81128	2.0
79.05497	82.5
81.03401	7.2
81.07061	43.3
83.04972	9.2
83.08617	9.9
85.02907	7.7
85.06547	3.2
86.09723	2.4
91.03937	4.3
91.05486	59.3
91.06026	4.5
91.71505	2.4
93.07050	49.4
95.04961	8.1
95.08607	25.0
97.02922	3.5
97.06522	17.4
97.10179	14.9
105.07037	57.1
107.04957	17.8
107.08601	95.1
109.06519	7.1
109.10162	15.6
111.08061	4.9
117.07021	16.7
119.08594	34.2
121.06535	5.6
121.10155	18.1
123.08067	3.4
123.11697	3.9
125.09647	14.8
127.03870	2.3
129.07031	8.9
131.08571	22.3
133.10123	35.9
135.08083	5.4
135.11728	8.4
136.22919	2.1
141.07028	3.4
143.08542	10.5
145.10130	78.9
147.04420	2.9
147.11703	28.2
149.09624	27.5
155.08514	3.5
157.10182	6.3
159.11690	22.5
161.09621	3.2
161.13287	8.2
163.11153	10.3
167.03476	2.8
169.10161	7.2
171.11684	11.8
173.11777	3.4
173.13293	6.1
177.12756	5.6
179.14349	4.1
183.11684	7.3
185.04555	7.4
185.13365	4.2
186.04839	2.2
187.04982	5.5
187.14865	3.5
189.11203	11.5
197.13243	4.6
229.19572	2.4
239.17911	12.5
247.20352	2.9
257.19022	52.7
267.09067	6.0
275.20081	68.3
285.10135	6.3
293.20926	2.4
331.22678	9.6
348.65198	4.4
349.20486	5.0
349.23788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.8
55.05503	17.2
57.07067	9.5
65.03950	3.6
66.03914	4.2
67.05512	34.7
69.03432	6.8
69.07063	24.4
69.70065	21.6
71.05000	7.2
79.05489	36.7
81.07056	44.3
83.04988	4.1
83.08605	6.4
83.46242	4.1
87.39421	4.1
89.06036	3.7
91.05489	49.9
93.07051	78.1
95.04976	26.6
95.08613	57.7
97.06513	13.5
103.05450	5.8
105.07040	100.0
107.08606	71.1
109.06510	13.5
109.10163	52.8
111.08068	6.0
115.05457	5.3
117.07001	15.6
119.08590	92.9
121.06509	9.0
121.10152	87.0
121.30429	3.9
123.08057	10.7
123.11723	20.1
128.06277	8.6
129.06996	20.4
130.07736	5.3
131.08566	55.6
133.10129	47.7
135.08057	15.5
135.11702	18.8
141.06941	9.1
142.07764	14.8
143.08566	38.2
144.09332	11.4
145.10121	72.2
146.07166	4.0
147.08055	11.2
147.11670	17.3
149.09624	15.2
149.13258	5.6
154.07703	6.4
155.08568	13.0
156.09364	13.3
157.10139	51.7
158.10854	7.1
159.11705	34.7
161.09575	16.2
161.13242	12.4
163.11151	4.8
165.07039	5.0
167.08536	8.6
168.09445	4.9
169.10164	16.8
170.10951	3.9
171.11679	27.9
173.09651	5.0
173.13245	12.9
175.14899	8.2
179.08592	6.8
180.09360	4.7
181.10153	10.9
182.10844	7.1
183.11708	22.8
185.13271	15.6
187.14886	29.1
189.12727	8.5
193.10045	9.0
194.10968	6.6
195.11670	16.7
196.12567	4.8
197.13277	17.4
199.11279	7.3
199.14828	11.4
201.16331	6.2
206.10820	4.3
209.13237	18.3
211.14803	10.6
213.12881	4.6
213.16386	5.2
223.11177	4.5
223.14775	7.2
225.16394	7.5
227.14310	18.0
239.17924	5.3
293.19095	6.8
315.48471	4.5
331.24237	9.1
349.25241	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.05513	18.6
57.07076	5.0
60.62807	4.2
67.05516	39.3
67.08196	3.5
69.07064	24.4
71.04999	3.8
71.12627	5.1
77.82596	4.3
79.05509	35.8
81.07072	47.0
83.04978	5.1
83.08639	7.6
89.06036	3.9
91.05499	51.8
93.07059	80.6
95.04976	27.0
95.08615	55.7
97.06550	15.1
103.05466	5.1
105.07047	95.2
107.08611	57.7
109.06540	7.7
109.10178	48.4
117.07056	22.9
119.08594	100.0
121.06525	6.9
121.10159	92.3
123.08100	6.2
123.11746	16.5
128.06265	8.6
129.07002	14.1
130.07794	6.0
131.08571	50.0
133.10138	46.5
135.08073	14.1
135.11711	18.2
140.07976	3.3
142.07745	17.8
143.08586	39.0
144.09337	11.0
145.10136	63.4
147.08070	8.6
147.11731	18.5
149.09618	8.5
149.13263	5.9
155.08559	14.2
156.09352	10.3
157.10139	44.7
158.10893	6.8
159.11687	24.6
161.09639	17.9
161.13307	10.3
167.08578	6.2
168.09351	4.8
169.10144	22.0
170.10947	6.4
171.11688	23.8
173.09612	5.7
173.13257	28.8
175.11172	7.0
175.14868	14.7
179.08652	9.4
179.14233	4.5
181.10127	15.6
183.11685	20.8
184.12547	5.1
185.13281	16.8
187.14862	21.6
193.10135	5.7
194.10938	12.2
195.11717	20.0
196.12506	4.4
197.13329	15.5
199.14836	14.7
201.16507	4.2
207.11717	5.0
209.13170	20.6
210.14212	6.1
211.14830	8.7
213.12773	6.5
213.16342	7.4
223.14998	9.4
225.16519	7.4
227.14310	16.0
233.58272	4.0
235.14948	3.6
237.16470	5.3
239.17946	10.2
241.15923	5.4
251.17918	5.7
253.19469	5.7
265.19595	8.5
266.20303	4.3
293.19125	9.1
331.24249	6.0
349.25189	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.79593	1.5
55.05505	6.1
57.07059	2.6
67.05497	4.7
69.07078	11.6
70.05596	1.7
77.20016	1.4
79.05476	5.2
81.07062	11.6
83.08615	4.3
89.06007	1.9
91.05441	2.7
93.07041	5.6
93.22001	1.8
95.08608	8.3
97.06535	2.0
101.11452	1.9
105.07005	4.3
107.08589	6.0
109.06527	9.4
109.10135	2.6
112.70013	1.9
119.08558	3.2
121.06575	2.6
121.10143	2.9
123.08079	54.1
123.08965	2.8
123.11717	2.9
125.28931	1.6
133.10162	2.0
135.11658	2.5
135.49318	1.9
137.09610	3.8
145.10144	3.2
147.11682	2.8
151.11180	1.8
161.13214	2.5
162.47987	1.5
163.11179	1.8
179.14380	3.4
275.20123	4.0
293.21158	16.8
306.32840	1.7
331.26309	2.0
346.25800	1.7
349.27399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
61.02928	1.1
65.03955	4.5
67.05489	1.6
68.99786	1.6
69.03432	3.0
70.06586	3.2
70.36634	1.8
70.36972	1.4
72.08157	1.2
81.03398	1.4
83.04973	3.8
84.04511	1.5
85.02914	13.4
86.09687	3.9
93.03400	3.0
97.02886	3.4
99.04454	1.2
103.05453	1.2
109.02893	1.6
111.03721	1.8
111.04449	22.1
121.03951	2.3
127.03915	2.5
139.03918	70.8
140.04379	0.9
145.04947	2.9
156.04179	2.2
163.03923	0.9
168.47783	1.0
171.06544	100.0
173.09221	1.5
180.08693	1.5
180.10204	3.1
244.09903	1.2
261.12723	1.9
342.78409	1.0
350.08960	2.3
350.17111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05506	7.8
57.03442	1.6
57.07077	1.9
58.99589	2.8
66.45571	1.2
67.05520	5.9
69.03442	2.5
69.07071	100.0
70.06585	5.9
71.04998	12.3
71.52544	1.3
76.02240	2.8
79.05489	5.6
81.03394	1.4
81.07069	9.7
83.04986	12.9
83.08600	1.9
84.04504	2.3
85.02892	5.8
85.06541	2.7
86.03226	1.2
86.06072	1.5
86.09702	9.5
86.99100	1.5
91.05471	4.9
93.07050	10.0
95.04968	19.6
95.08613	11.0
97.02914	1.8
97.06530	3.6
99.04461	18.5
99.08083	1.7
100.11261	4.1
105.07027	5.0
107.08595	14.5
109.06512	14.3
109.10149	13.6
111.11722	31.7
113.09640	4.2
115.07558	2.1
119.08575	16.7
120.08113	19.9
121.10173	7.0
122.02721	10.7
123.08072	78.7
123.11711	6.8
125.09644	2.5
127.11201	1.5
129.12756	25.5
131.08516	1.5
132.10225	1.4
133.10159	7.9
135.11694	24.8
137.09625	20.0
139.11269	1.6
141.12746	3.8
142.07770	1.4
145.08876	4.0
145.10042	1.7
146.09628	1.3
147.11696	2.2
149.13245	3.5
151.11177	1.4
151.14798	2.1
153.12755	14.9
157.10127	2.3
157.13380	3.5
159.08054	1.7
171.13875	2.7
174.12813	7.3
175.14813	22.7
185.04488	4.1
185.12842	2.3
186.04799	7.4
187.05005	6.7
188.05263	5.6
188.16284	1.5
191.08188	2.0
191.11833	2.0
193.15889	90.9
200.38986	1.3
210.14864	1.2
211.14908	2.1
211.16931	43.2
219.11334	2.1
229.18007	2.2
277.22867	2.0
320.13263	1.3
324.62921	1.3
329.13394	1.4
331.16470	1.3
350.16171	17.6
350.19794	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51160	1.5
55.01872	2.6
55.05512	10.7
56.96570	1.9
57.03444	4.2
59.05011	3.4
61.02938	5.1
67.05518	8.8
69.03443	7.8
69.07081	8.0
70.06593	6.7
71.05006	9.5
71.52390	2.5
72.08160	6.3
73.02918	2.2
79.05502	5.9
81.03420	4.2
81.07063	25.0
83.04990	3.6
83.08630	9.7
84.04461	1.4
84.08144	1.9
85.02908	29.5
86.09711	15.3
91.05487	8.3
93.07050	48.9
95.08614	47.6
97.02916	8.0
97.06536	21.9
98.97603	10.5
99.21917	1.6
101.09686	5.1
105.07063	2.7
107.08607	62.0
109.02918	2.3
109.06529	1.5
109.10170	41.5
111.08105	1.9
116.98662	3.0
119.08588	3.9
120.08119	18.3
121.10159	1.9
123.11734	17.4
127.03957	6.0
131.08514	2.1
133.10184	1.9
135.11707	100.0
141.12747	4.1
145.04941	7.9
145.10150	1.7
149.09642	2.1
153.12758	68.1
158.99698	5.5
171.13823	56.7
177.00832	1.9
185.04454	2.8
185.12953	2.5
186.04828	5.0
187.04993	3.8
188.05254	3.0
189.12712	2.6
198.09705	1.9
204.07195	1.8
213.07881	14.3
219.15005	3.7
222.08382	5.8
233.16513	2.4
261.16049	1.8
350.13129	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39299	1.5
55.05500	6.8
57.03447	2.3
57.07062	2.2
57.82036	1.8
59.04985	2.3
59.83535	1.3
60.04549	1.6
61.02936	2.3
67.05508	11.5
69.03442	3.3
69.07072	24.7
70.06592	8.1
71.04987	8.6
71.76183	1.8
72.08142	2.2
79.05488	11.9
80.05024	1.9
81.03466	2.3
81.07067	26.0
83.04989	3.6
83.08615	6.2
84.04521	1.8
84.08154	3.0
85.02908	13.9
86.09710	11.9
91.05495	7.9
93.07051	45.0
94.30054	1.7
95.04985	2.4
95.08611	26.1
97.02888	4.6
97.06542	24.1
99.04454	4.0
100.11272	4.2
103.05459	2.0
105.07034	4.2
107.08599	61.9
109.06548	3.3
109.10162	36.7
111.04465	2.0
111.11712	5.1
119.08556	5.0
120.08110	71.4
121.10059	1.6
122.02711	1.6
123.08086	13.4
123.11718	14.0
127.03949	2.0
129.12744	5.0
130.06551	1.6
132.10191	4.9
133.10120	2.5
135.11700	100.0
137.09615	4.1
141.12697	1.9
145.04939	2.4
145.08865	3.8
146.09691	2.4
149.13155	2.0
153.12758	69.3
171.13824	43.5
174.07657	1.9
174.12781	12.3
175.14818	4.9
185.04546	2.3
188.05272	1.7
191.11826	13.5
193.15897	16.3
203.13930	4.4
210.14981	1.6
211.16920	5.9
219.11282	15.2
268.52179	1.5
297.05737	1.8
340.75467	1.7
350.12201	3.2
350.15967	23.1
350.19769	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33466	0.5
52.98213	0.4
55.01881	0.7
55.05507	2.0
55.80751	0.4
56.96573	0.5
57.03423	1.6
57.07082	0.8
67.05509	6.0
69.07073	3.5
69.18458	5.0
72.60889	0.4
79.05074	0.7
79.05498	9.4
81.07060	8.9
83.08623	1.0
85.22443	0.5
88.12425	0.5
91.04966	0.8
91.05489	6.1
93.06478	0.9
93.07047	11.4
95.04972	1.2
95.08626	4.7
96.58387	0.5
97.06541	1.3
97.10175	0.8
99.08093	1.1
105.07030	6.5
107.04939	0.5
107.08601	6.2
109.06521	0.9
109.10170	2.1
111.08038	0.5
113.09686	0.5
117.07028	1.3
119.08595	6.5
121.06510	0.8
121.10163	4.9
129.06996	1.4
131.08556	2.2
133.10138	6.4
135.04425	2.5
135.11693	4.7
143.08562	1.4
145.10081	2.5
147.11673	5.7
149.09695	0.6
149.13281	2.9
149.54405	0.5
153.05508	2.2
157.10165	1.3
159.11664	2.3
161.13275	4.3
163.14822	0.8
169.04944	1.2
171.11736	1.9
173.13298	0.9
175.14894	1.6
180.11072	0.5
185.13313	1.5
191.54254	0.5
196.08803	0.6
199.14874	1.3
201.05434	0.5
203.14400	0.7
206.07077	0.6
213.16454	0.5
217.19594	0.9
220.17848	0.6
223.07541	0.5
224.08362	2.7
225.09093	0.7
231.17526	0.6
231.21053	1.0
235.07532	1.5
238.06325	0.8
239.07118	0.8
241.19516	5.6
244.09691	0.6
247.07565	1.1
248.08377	1.4
249.09149	3.2
250.06354	0.7
250.09885	0.9
251.07133	3.7
252.07826	4.0
253.08426	2.5
254.09462	0.7
255.10143	0.8
259.20605	10.4
261.09143	0.7
262.06412	0.6
262.09741	0.5
263.07092	2.1
263.10660	0.9
264.07608	0.7
265.08585	1.2
266.09476	0.9
267.06537	0.9
267.10193	2.6
268.07364	0.7
269.07953	0.9
276.07855	2.2
277.08612	8.6
277.21564	1.1
278.09229	1.0
279.06552	0.7
279.10040	0.8
280.07303	3.0
281.08002	0.6
281.11737	1.1
282.08878	10.0
283.09662	16.4
284.10574	0.5
289.08633	3.8
290.09494	1.0
291.10181	4.1
292.07199	1.7
293.08200	5.1
293.11383	0.9
294.08817	4.8
295.09665	37.6
296.10144	1.3
303.10178	0.9
304.10831	1.2
307.09644	16.7
308.10434	7.1
309.11209	21.6
319.13278	1.0
323.16333	0.8
333.14941	9.4
333.24176	1.6
345.32513	0.5
349.14398	0.8
351.15930	100.0
351.25217	11.9
352.16360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.159
Annotation	(-)-Paralycolin A
Peak:m/z	Relative Intensity
55.05501	1.7
57.03432	0.5
67.05503	3.6
69.03428	0.5
69.07060	1.4
69.15638	4.3
70.07801	0.4
79.05496	5.4
81.03418	0.5
81.07057	4.6
82.97607	0.4
83.04956	0.6
91.05483	3.7
93.07046	6.3
95.04967	0.7
95.08615	3.1
97.06516	0.7
105.07030	3.5
107.04971	1.3
107.08596	3.5
109.06515	1.0
109.10158	0.7
117.07032	0.6
119.08604	3.7
121.10121	2.9
131.08585	1.2
133.10136	3.5
135.04390	3.7
135.11670	2.6
137.05966	0.9
143.08595	0.6
145.10101	1.7
147.11670	2.9
149.13242	2.0
153.05519	2.6
157.10103	0.6
159.11700	1.3
161.13251	1.8
163.14767	0.4
171.11670	0.9
173.13289	0.7
175.14859	1.1
185.13249	1.1
195.08107	0.6
196.08745	0.8
197.01157	0.4
197.35295	0.5
221.09610	0.7
224.08351	1.9
225.09077	0.6
231.21063	0.5
234.06711	0.9
234.34146	0.5
235.07561	1.4
236.08554	0.6
237.09082	0.9
238.06157	0.8
239.07101	0.7
241.08786	0.5
241.19493	2.1
242.70665	0.5
247.07562	1.3
248.08325	1.5
249.09171	3.8
250.09641	0.5
251.07071	4.5
252.07823	4.6
253.08542	1.7
259.20544	6.5
261.09085	0.8
263.07068	2.0
263.10477	0.7
264.07776	1.0
265.08609	1.5
266.09396	0.8
267.06500	0.6
267.10156	3.0
267.43115	0.5
268.07346	1.1
269.07953	0.8
273.08905	0.6
276.07928	2.5
277.08603	10.1
277.21570	1.0
278.09390	0.7
279.06546	1.0
279.10263	0.8
280.07324	2.7
280.10324	0.5
281.11685	1.3
282.08862	9.5
283.09634	16.0
289.08539	4.8
290.09341	0.9
291.10110	4.3
292.07242	2.2
293.08102	5.2
293.11566	1.0
294.08862	5.5
295.09653	36.2
296.10233	0.7
304.11026	0.8
306.08682	0.9
307.09628	23.0
308.10419	8.1
309.11172	21.5
318.12448	1.2
319.13354	1.0
321.11206	0.9
323.12677	0.6
333.11108	0.9
333.14835	8.1
333.23889	0.5
349.14346	0.7
351.15897	100.0
352.16272	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	351.1592
Annotation	(-)-Paralycolin A
Peak:m/z	Relative Intensity
69.25365	0.5
69.25764	2.6
81.07056	0.3
82.00318	0.4
85.02907	2.0
89.06017	0.4
91.05511	0.4
91.53342	0.3
98.21584	0.5
103.22043	0.4
151.09702	0.4
162.52884	0.3
208.08943	0.5
237.12753	0.7
238.06259	0.4
247.07643	0.9
248.08392	0.6
249.09253	1.6
251.07056	2.1
261.09341	0.6
264.07974	0.7
265.08630	1.1
272.08115	0.4
273.09204	0.9
275.07053	0.5
276.07877	1.0
277.08609	11.6
278.09467	0.5
279.10251	0.6
283.09787	0.7
289.08609	2.0
290.09384	1.9
291.10141	4.6
292.07291	1.6
292.10464	0.6
293.08078	4.5
293.11731	5.4
294.08890	5.4
295.09686	7.1
302.13062	0.4
303.10150	0.5
304.10922	1.0
305.08313	0.5
305.11725	0.7
307.09659	61.7
308.10394	10.1
309.11169	5.1
318.12289	0.4
319.13300	6.2
320.14105	1.9
321.11270	1.2
322.12012	1.4
323.12747	1.1
333.15024	2.3
336.13348	0.4
349.14389	1.2
351.15924	100.0
352.16333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.159
Annotation	(-)-Paralycolin A
Peak:m/z	Relative Intensity
61.72047	0.5
69.07051	0.6
79.05498	0.7
81.07041	0.9
85.02903	0.9
91.05470	0.6
97.06538	0.4
98.21538	1.0
103.48373	0.4
107.04987	0.5
117.27007	0.4
121.06559	0.7
135.04358	2.1
137.06017	0.7
137.18268	0.4
138.67668	0.5
139.30008	0.4
145.10211	0.5
147.07986	0.5
153.05467	0.7
179.08417	0.5
200.32504	0.5
224.08295	1.2
225.08952	0.8
234.06706	0.5
235.07501	1.0
237.12733	0.5
247.07713	0.7
248.08261	1.1
249.09105	2.3
251.06982	2.3
252.07750	2.5
253.08578	1.4
255.10144	0.6
261.09143	0.8
263.07135	1.4
263.10593	0.5
264.07651	0.6
265.08743	1.3
267.10220	1.7
276.07834	1.9
276.10931	0.4
277.08640	9.9
278.09286	0.8
279.06442	0.7
279.10233	0.7
280.07361	1.8
281.08203	0.6
281.11823	0.5
282.08917	5.5
283.09671	8.8
289.08560	3.4
290.09439	1.4
291.10150	5.2
292.07336	1.7
293.08093	4.7
293.11728	2.3
294.08923	3.8
294.11874	0.8
295.09680	21.9
296.10110	0.6
303.09891	0.5
304.10904	1.4
305.11685	0.5
307.09650	30.8
308.10336	8.0
309.11221	12.3
318.12329	0.6
319.13361	2.4
320.14047	0.8
321.11203	0.7
322.11966	0.8
323.12897	0.8
323.16376	1.0
333.14899	8.1
349.14557	0.8
351.15927	100.0
352.16223	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01856	12.7
55.05496	9.3
56.96554	5.7
57.03425	12.6
59.04985	8.2
61.02910	10.0
67.05499	16.9
69.03082	5.1
69.03432	62.8
69.07074	5.7
69.44389	23.2
70.06584	8.6
70.57854	2.6
71.01343	4.2
71.04975	11.6
72.08165	4.9
73.02901	3.7
79.05478	11.6
81.03414	18.2
81.07066	14.2
83.04992	28.2
84.04460	3.1
85.02911	34.3
85.06531	9.7
86.09695	8.1
87.04470	3.9
91.05484	18.7
93.07040	18.7
95.01319	5.4
95.04971	16.8
95.08595	12.1
97.02895	38.5
97.06538	7.7
98.21500	5.8
98.97575	4.5
99.04459	14.9
103.03884	4.2
105.07040	38.4
107.04958	6.8
107.08601	30.1
109.02868	6.5
109.06524	65.2
109.10148	11.2
111.04441	10.9
111.08083	6.9
115.03962	3.4
116.06195	3.3
117.07030	15.0
119.04939	3.4
119.08588	52.9
119.45368	2.9
120.08112	4.4
121.06491	12.2
121.10143	29.3
122.07284	3.4
123.04459	4.4
123.07220	5.9
123.08080	91.3
123.11646	6.7
127.03959	16.6
128.06227	8.2
129.05472	10.6
129.06990	10.8
129.10291	4.2
130.07756	7.5
131.08577	21.6
133.06438	4.3
133.10117	13.9
135.08058	13.1
135.11691	29.0
137.09578	14.4
141.06944	4.3
142.07780	3.6
143.08565	19.8
144.09322	11.9
145.04936	21.0
145.06416	5.0
145.10149	29.1
147.08058	19.6
147.11694	22.4
148.55070	3.6
149.05968	8.3
149.09625	31.7
150.05449	5.6
151.03886	6.4
151.07533	12.5
155.08582	4.5
156.09369	12.6
157.10132	12.9
159.08034	8.9
159.11693	44.1
161.09589	12.9
161.13228	10.1
163.09879	5.1
163.11201	72.5
165.09109	3.6
165.12749	7.0
167.08514	5.9
169.10179	8.1
170.10950	5.0
171.08026	8.4
171.11708	22.7
172.08794	7.7
172.14104	3.7
173.09612	11.4
175.07616	5.4
175.11191	9.2
177.12750	13.6
179.08493	4.8
180.09273	4.3
181.10114	5.3
183.11684	9.7
185.04411	4.1
185.09654	8.6
185.13194	6.7
187.04874	4.3
187.11209	24.7
189.09088	6.8
189.12767	55.5
191.10646	3.1
194.10934	3.9
195.11702	7.6
197.09648	5.8
199.11160	3.9
201.12711	12.4
203.10612	5.1
205.12234	26.2
207.12048	5.5
207.13828	27.2
209.09766	2.8
209.13266	7.7
211.11198	8.1
213.09329	3.3
213.12746	19.2
215.10776	5.6
217.08542	4.3
222.10402	3.6
225.12688	11.2
227.14301	9.2
229.12244	8.3
231.13824	9.8
237.12773	7.6
239.10664	3.6
240.11273	3.3
243.13742	8.8
255.13858	17.3
273.14902	42.5
285.14923	8.8
293.13754	5.4
295.11737	5.8
297.14850	12.2
307.20172	5.7
311.61588	3.0
315.15906	30.2
333.16931	25.9
350.63065	5.3
351.14124	18.5
351.18024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	3.1
55.05511	17.9
57.03430	10.0
57.07064	4.5
65.03934	2.4
67.05509	50.5
69.03432	1.7
69.07073	20.7
69.31162	9.8
69.31563	2.9
71.04967	3.4
71.08634	2.9
75.04490	1.5
79.05495	66.6
81.07064	61.6
83.04971	3.1
83.08612	8.6
85.06541	5.6
91.05484	53.6
93.07047	93.7
95.04954	5.2
95.08609	38.8
97.06527	3.8
97.10155	5.6
98.20777	2.1
99.08102	6.5
103.05420	1.8
105.07039	55.3
107.04976	2.8
107.08600	56.1
109.06514	3.2
109.10167	14.5
111.08103	2.1
113.09658	1.5
117.07028	10.4
119.08592	50.0
121.06557	2.0
121.10148	42.1
123.08072	2.1
123.11712	5.6
125.09573	1.4
129.06990	8.2
131.08591	19.7
133.10141	46.5
135.04379	2.7
135.08037	3.2
135.11696	42.9
137.09593	2.9
143.08618	7.0
143.77330	1.5
145.10124	17.9
147.07997	2.0
147.11688	53.0
149.09622	2.3
149.13268	28.7
151.11215	1.6
157.10149	11.8
159.11703	20.1
161.09619	2.8
161.13266	38.7
163.11223	2.7
163.14847	9.9
171.11694	16.2
173.13293	14.1
175.11139	2.7
175.14821	20.7
177.12817	2.6
179.14352	4.9
185.13245	13.7
187.14836	3.3
189.12773	3.7
189.16376	1.8
199.14824	5.5
213.16405	3.4
215.17851	2.3
217.19588	5.9
221.15550	1.8
231.17430	4.2
231.20995	10.8
241.19505	44.6
248.08147	1.6
251.06984	3.5
252.07909	3.3
253.08504	1.4
259.20590	100.0
263.07010	1.7
267.10150	2.3
276.07913	1.4
277.08554	7.3
277.21680	19.8
280.07346	2.5
282.08932	8.9
283.09692	13.4
289.08798	3.5
291.10257	3.8
293.08032	4.6
294.08884	6.2
295.09665	29.6
307.09720	12.8
308.10605	7.1
309.11273	15.8
333.14825	7.6
333.24295	9.7
351.11282	1.7
351.15955	79.8
351.25308	96.4
352.16248	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.2
55.05522	17.2
57.03432	9.0
57.07096	3.1
67.05506	52.6
69.03452	3.8
69.07073	17.9
69.15267	2.9
71.04990	5.3
71.52545	4.3
79.05499	60.9
79.20451	2.8
81.07064	58.6
83.08622	9.9
85.02905	3.3
85.06530	4.7
88.51135	2.6
91.05492	55.8
93.07047	87.3
95.04977	5.9
95.08610	45.1
97.06533	2.7
97.10190	3.4
99.08138	3.8
101.06018	3.3
103.03880	2.7
105.07033	54.6
107.08595	55.5
109.06567	4.1
109.10154	22.5
111.08090	3.8
112.49585	2.7
117.07002	12.9
119.08595	50.4
121.10144	43.8
123.08091	3.3
123.11714	3.3
129.07004	7.5
131.08595	19.7
133.10144	49.2
135.11697	49.5
137.09576	2.9
143.08553	10.4
145.10136	23.0
145.83070	2.9
147.11696	48.7
149.09578	3.3
149.13280	26.9
157.10112	10.3
159.11725	18.2
161.13249	34.5
163.11194	6.7
163.14859	8.8
171.11705	18.2
173.13318	14.3
175.11142	3.0
175.14816	15.3
177.12816	3.3
185.13210	15.0
187.14835	5.3
199.14929	7.7
202.09056	7.1
203.14388	3.3
213.16484	4.4
217.19591	5.7
231.17590	4.9
231.21130	9.4
232.41100	2.8
241.19522	37.7
259.20593	100.0
277.21686	17.8
289.21420	3.2
333.24307	12.9
351.25412	83.5
361.33533	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.3
53.03934	3.3
55.01865	2.9
55.05514	16.2
57.03440	12.8
57.07067	1.3
59.70855	1.1
67.05508	44.5
69.03419	1.4
69.07075	15.3
69.46182	6.8
71.04998	3.1
71.08238	2.4
71.08637	50.0
79.05495	37.4
79.05849	0.7
81.03432	5.3
81.07062	45.0
83.04987	9.5
83.08633	7.8
85.06578	2.6
91.05486	28.1
93.07050	50.2
93.07642	2.6
95.04975	9.6
95.08613	30.9
97.06520	7.9
97.10162	3.4
98.20859	2.2
99.08099	34.6
100.15992	1.0
105.07030	19.8
107.04980	7.5
107.08597	25.8
109.06534	3.7
109.10165	13.8
111.08128	2.0
113.09651	3.1
117.07018	4.3
119.08588	14.8
120.70691	1.2
121.06544	1.4
121.10148	21.0
123.08080	1.5
127.11083	1.2
129.06998	4.1
131.08575	3.6
133.10153	11.7
135.08011	1.3
135.11697	32.1
137.09604	4.1
141.09134	3.3
143.08582	2.3
145.10129	4.1
147.11717	6.6
149.13280	10.7
151.11198	19.4
153.12785	2.3
157.10120	1.9
159.11717	3.7
161.13280	12.6
163.11185	7.3
163.14832	3.9
165.12724	2.0
167.10706	2.2
171.11624	2.2
173.13283	1.6
175.14870	2.0
177.12794	4.2
179.14323	100.0
179.42761	1.0
185.04543	1.2
185.13263	2.7
189.12868	2.1
195.13940	1.7
199.14799	1.4
212.72461	1.0
221.15416	4.4
231.21078	1.4
235.16963	4.7
238.11160	1.3
241.19592	2.1
259.20651	7.9
277.21628	44.5
289.23914	1.1
295.22635	1.6
305.08511	1.2
308.06726	1.3
317.87595	1.1
351.12378	3.4
351.25320	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01869	2.2
55.05518	15.5
57.03440	9.1
57.07074	2.8
65.03941	2.1
67.05509	44.5
67.87598	1.2
69.07074	14.7
71.04977	2.3
71.52568	1.5
74.01735	1.1
79.05498	63.5
81.07059	53.1
83.04988	4.0
83.08607	7.5
84.08152	1.3
85.06532	4.5
91.05488	50.7
93.07048	85.0
95.04969	4.5
95.08612	37.5
97.06518	3.5
97.10176	3.7
99.08103	3.1
103.05448	1.2
105.04522	2.1
105.07037	55.3
107.08602	47.3
109.06513	3.9
109.10174	13.3
111.04437	1.5
111.08112	2.6
113.09680	1.8
114.44212	1.2
117.07021	13.3
119.08589	52.1
121.06516	1.7
121.10147	45.6
123.08050	2.3
123.11734	3.2
125.09648	2.0
127.11285	1.6
129.05479	1.5
129.06981	10.2
131.08574	19.3
133.10132	48.4
135.08028	2.9
135.11699	39.5
135.75200	1.2
137.06006	5.5
137.09619	2.3
139.11224	1.6
143.08548	9.0
145.10135	19.1
147.11691	44.7
149.09598	2.9
149.13269	26.7
151.11208	2.7
157.10095	9.6
159.11697	21.5
161.09677	2.6
161.13261	33.3
163.11218	4.5
163.14833	8.8
171.11687	15.0
173.11911	1.9
173.13280	10.1
175.11220	3.9
175.14830	19.4
177.12721	2.8
177.16304	1.3
185.13260	14.7
187.14868	3.8
189.12761	3.5
189.16383	1.8
199.14789	9.0
203.14384	2.3
213.16469	3.6
215.18042	2.2
217.19513	7.0
225.51997	1.2
231.17519	3.3
231.21005	9.6
235.17102	1.3
241.19530	35.3
259.20587	100.0
260.20932	2.0
277.18109	5.0
277.21680	15.4
308.06854	1.5
333.24307	14.1
351.12167	3.9
351.16232	2.7
351.21713	5.1
351.25345	86.4
352.25784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39344	1.1
55.05511	1.5
59.29908	1.0
65.34888	1.1
67.05503	4.2
69.07062	1.3
71.88977	1.0
77.50603	1.0
79.05512	2.4
81.07076	5.6
83.08630	1.3
91.05495	3.2
93.07050	2.1
95.08608	4.4
97.06566	1.2
105.07021	2.1
107.08598	3.8
109.10165	2.0
119.08588	1.3
121.10159	1.5
122.03662	3.6
133.10170	2.6
135.11670	1.4
137.05991	100.0
145.10249	1.3
153.12753	1.4
170.15387	1.5
182.15431	4.4
241.19627	1.2
270.05539	1.2
306.20636	8.7
347.15131	1.2
351.25400	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	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05512	24.7
57.03434	2.9
57.07062	6.4
65.03964	2.5
67.05504	35.8
69.03420	6.2
69.07067	53.7
70.10994	9.1
71.04993	16.0
79.05499	26.8
81.06593	3.1
81.07059	56.6
83.04982	3.6
83.08636	14.7
85.06548	2.8
91.05482	44.4
93.06483	4.3
93.07048	71.0
95.04970	19.6
95.08612	61.8
97.06541	16.4
97.10171	4.0
103.05440	3.8
105.07030	92.3
107.08595	64.9
109.06503	7.6
109.09466	4.2
109.10162	51.8
111.08088	3.6
111.11726	3.6
115.05393	4.7
116.06217	3.9
117.07030	13.0
119.08582	100.0
121.06500	8.8
121.10150	50.9
123.08049	4.7
123.11709	19.8
128.06230	6.1
129.07010	9.5
130.07802	6.9
131.08575	41.3
133.10141	51.9
135.08070	19.0
135.11710	18.8
137.09642	5.0
137.13228	12.1
141.06995	3.3
142.07773	15.2
143.08566	27.2
144.09303	4.6
145.09050	4.6
145.10126	59.4
146.07271	6.8
147.08028	4.4
147.11671	31.8
149.09607	17.6
149.13246	3.9
155.08525	6.2
156.09396	11.0
157.10138	49.9
158.10883	2.9
159.03780	2.3
159.08096	4.8
159.11711	30.6
161.09633	55.7
161.13242	15.8
163.11168	4.9
167.08511	2.2
169.10114	10.9
171.11693	33.1
172.12563	3.4
173.13240	19.1
175.11203	9.5
175.14819	18.3
176.15735	2.4
177.16403	20.2
179.08559	3.7
181.10110	2.9
182.11052	3.1
183.11679	14.1
184.12523	3.4
185.13268	19.8
187.14847	8.2
189.12695	4.7
189.16367	12.2
193.10077	3.4
194.10959	4.6
195.11667	5.4
197.13263	10.4
199.14781	11.4
201.16402	6.5
203.17877	8.3
207.11670	2.9
209.13315	17.0
211.14815	8.3
213.12723	3.2
213.16422	4.0
215.17906	4.3
225.16269	3.5
227.14275	7.0
227.17883	3.2
239.17854	4.0
241.19501	9.1
243.20978	3.3
255.21078	7.6
259.20520	3.6
267.21097	6.2
269.18890	2.7
277.19641	3.8
323.27310	2.3
333.25827	6.5
351.26816	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	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05506	4.6
57.03442	0.9
57.07069	6.6
57.31103	0.7
59.05011	4.8
60.04533	1.1
60.14446	1.0
65.76254	1.0
67.05519	9.4
69.03432	1.6
69.07070	13.1
69.34135	5.9
70.06590	2.7
71.04996	7.1
72.08138	3.4
73.06544	1.6
81.03409	1.2
81.07039	3.2
83.05000	1.2
83.08620	13.3
84.08152	1.1
85.02909	6.5
85.06544	11.7
86.09709	4.9
87.05585	1.0
91.05473	1.1
95.04965	1.0
95.08588	4.2
97.02893	1.7
98.20719	1.8
99.04413	0.9
101.06007	3.8
107.08562	1.2
109.10162	38.2
110.07175	1.3
113.06015	14.7
120.08092	3.7
127.11156	2.7
129.09119	25.7
129.10068	1.7
135.11676	1.4
136.07515	1.0
137.05978	1.0
137.09579	4.9
155.10675	57.1
159.11322	3.3
173.11743	100.0
209.12820	1.8
292.13684	1.1
352.18335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12565	0.8
55.05501	2.2
57.03418	1.0
57.07079	16.1
59.04996	4.7
61.02911	1.1
67.05502	1.3
69.03407	1.5
69.07069	3.9
70.96349	0.7
70.96680	0.7
71.04996	1.0
73.06552	1.1
73.12760	0.5
81.07072	6.1
83.08621	1.7
85.02905	4.8
85.06541	1.8
91.05494	0.8
93.07062	0.5
95.08620	7.5
97.02884	1.1
97.10179	5.0
109.02898	0.8
109.10142	1.5
111.11700	2.1
127.03913	1.0
137.13261	24.6
155.14310	100.0
156.14621	0.8
173.15385	25.5
293.24823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.7
67.05502	1.7
69.03423	2.3
69.07063	3.1
69.62387	2.5
69.62791	5.5
71.08636	53.1
78.11404	1.4
79.05470	2.5
81.03415	2.3
81.07043	3.3
85.02895	6.4
86.09724	1.8
91.05464	1.7
93.07043	3.7
95.05005	1.6
95.08635	1.8
97.02869	2.7
98.20790	2.4
99.08099	100.0
115.53293	1.4
127.03854	1.4
129.12816	9.4
154.87270	1.3
155.14275	2.7
157.10104	1.5
173.13925	2.8
173.15379	49.0
289.14435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1234
Annotation	Rossoliside
Peak:m/z	Relative Intensity
54.72914	0.2
55.05511	0.3
57.03431	0.2
57.07076	0.3
67.01849	0.6
67.05492	0.7
68.99776	0.2
69.03420	0.2
69.07050	0.2
70.06585	0.6
71.03864	0.4
72.08142	0.6
79.05483	0.3
80.25916	0.2
81.07037	0.5
84.04506	0.3
84.08152	0.6
85.02872	0.2
85.06552	0.5
86.09695	0.8
91.05438	0.3
93.07012	0.3
95.08584	0.5
97.02917	0.2
107.04945	0.2
107.08604	0.4
109.10161	0.5
117.07079	0.2
120.08076	0.6
121.06590	0.2
123.08079	0.3
125.05985	0.6
135.04391	0.2
135.08009	0.3
137.13243	0.3
151.03912	1.3
152.02631	0.2
159.08374	1.1
163.07564	0.4
166.08630	0.2
176.04762	0.5
191.07034	100.0
192.07353	1.0
195.01343	0.2
206.15457	0.3
215.90912	0.2
353.12305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45560	0.7
57.03417	0.6
67.05488	0.8
69.90819	0.6
73.62690	0.6
75.84563	0.6
81.03416	0.7
81.07037	1.2
93.07025	1.0
103.33797	0.6
105.07034	0.8
117.06970	0.6
119.08659	0.7
133.23535	0.6
191.06859	0.8
191.08560	0.7
195.08058	1.8
219.08086	2.7
219.39658	0.7
237.09062	0.6
237.12848	0.9
247.07603	1.5
250.06274	1.9
251.07082	9.4
263.07047	1.8
264.07761	1.6
265.08633	1.1
275.07016	2.1
278.05811	7.3
278.08841	0.9
291.06552	5.7
292.04010	0.8
292.07281	20.6
293.08096	100.0
294.08279	1.6
304.32312	0.7
305.08182	0.7
306.08838	2.7
320.10413	0.7
322.12091	0.7
335.12790	59.2
353.14124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Emoroidone
Peak:m/z	Relative Intensity
55.74073	0.4
59.35636	0.4
67.05506	0.9
68.99796	0.8
69.07068	0.6
71.52896	0.6
79.05507	0.9
81.07061	1.6
83.04970	0.4
83.08623	0.5
84.98046	0.4
91.05500	0.7
93.07071	1.0
95.08640	0.9
103.49583	0.4
105.07060	0.7
107.08572	0.9
114.74523	0.4
119.08617	0.6
121.10168	0.6
135.11685	0.5
154.58035	0.4
155.56897	0.4
179.08548	0.6
195.08102	2.5
199.07542	0.4
206.15515	0.6
208.08850	1.3
219.08017	2.2
221.87788	0.4
237.09094	1.2
237.12679	0.8
247.07587	1.9
250.06364	2.3
251.07028	8.8
255.06479	0.5
263.06882	1.1
264.07889	1.9
265.08594	0.9
269.08206	0.8
275.06976	2.1
278.05789	7.7
291.06525	4.8
292.07327	21.1
293.08109	100.0
294.08374	0.8
306.08777	1.7
307.09634	0.9
320.10529	0.9
335.12802	57.4
336.13062	0.8
352.28510	2.3
353.13971	1.0
353.24878	0.6
353.28909	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	353.1385
Annotation	Emoroidone
Peak:m/z	Relative Intensity
55.05511	0.6
63.72233	0.5
67.05501	2.1
68.99796	0.5
69.04760	0.4
69.07076	0.8
75.64993	0.5
79.05485	0.8
81.07058	2.0
90.17921	0.4
91.45963	0.5
93.07063	1.2
95.08618	1.3
95.43295	0.5
98.39387	0.4
107.08574	0.7
109.10165	0.9
119.08559	0.5
121.10111	0.5
133.10165	0.8
136.18944	0.4
153.07155	0.4
171.33391	0.4
175.02628	0.5
185.39325	0.4
195.08070	2.1
209.09624	0.6
219.08087	1.7
223.07419	1.1
228.39920	0.5
229.02292	0.6
237.09135	1.0
237.12930	0.5
247.07533	1.7
250.06235	2.6
251.07050	9.0
263.07126	1.7
264.07776	1.5
265.08566	0.9
269.08038	0.6
275.07034	2.3
278.05731	7.3
291.06583	4.9
292.03952	0.9
292.07291	21.5
293.08096	100.0
294.08414	1.1
305.08209	0.6
306.08832	3.0
307.09216	0.5
320.10498	1.2
335.12784	57.9
353.13782	1.1
353.26862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54728	1.0
52.10095	1.1
53.03935	1.6
55.01868	2.5
55.05505	4.7
57.03418	2.2
57.07063	2.0
67.05482	3.7
69.03428	13.4
69.06800	0.9
69.07074	10.1
69.52498	5.3
69.52917	1.5
70.06599	2.2
71.04976	2.1
78.20563	1.0
79.05489	5.8
81.03408	3.2
81.07053	4.6
83.04998	7.6
83.08624	1.8
85.02900	8.8
85.06511	1.0
87.04470	1.1
91.05482	11.0
93.07035	7.6
95.04963	1.7
95.08610	8.9
97.02888	8.9
97.06522	6.0
98.20752	1.7
98.26704	1.0
99.04453	2.3
105.07034	11.7
107.08601	59.9
109.02859	1.9
109.06500	2.7
109.10181	6.6
111.08084	1.4
115.03920	1.3
117.07008	2.9
119.08582	34.8
121.06541	6.8
121.10149	22.9
123.08054	3.0
127.03889	3.8
131.08562	11.4
133.10136	28.6
135.08052	15.1
135.11691	11.2
137.09633	6.6
143.08545	4.4
144.09290	1.1
145.04970	2.3
145.10146	8.4
147.08037	1.6
147.11699	31.1
149.09612	4.3
149.13251	27.8
149.14395	2.0
157.10159	1.9
158.10936	7.8
159.11726	3.1
161.09599	1.9
161.13216	2.1
163.14868	7.2
165.43974	1.2
173.09579	1.8
173.13278	33.5
175.11221	1.9
175.14836	33.1
185.13210	1.5
189.12706	3.5
191.14311	100.0
192.14790	1.4
203.14404	2.4
207.13768	1.2
209.15343	3.2
215.14264	1.6
227.14349	1.4
228.17041	1.2
233.15405	1.5
257.15265	1.6
275.16226	2.0
287.16470	6.5
299.16370	1.7
317.17416	4.2
335.18530	8.3
353.15488	2.3
353.19635	25.4
353.24017	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	353.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.9
55.64823	6.5
57.07083	9.5
61.99315	6.2
67.05492	24.0
69.07062	49.9
79.05468	16.8
81.07059	47.4
81.73580	5.6
83.08622	14.3
91.05473	37.3
93.07053	41.0
93.12540	6.1
95.04959	10.2
95.08599	91.1
97.06534	12.8
105.07044	43.6
107.08617	51.0
109.10189	29.7
111.08067	39.9
117.06978	9.6
119.08588	100.0
121.06551	7.6
121.09349	6.4
121.10145	69.3
122.88441	6.7
123.11692	13.4
131.08563	32.2
133.10133	56.2
135.08009	19.1
135.11684	20.3
137.05995	84.1
137.09618	7.4
137.13197	7.7
142.07649	7.2
143.08536	15.9
144.04889	5.7
145.10117	32.4
147.08031	21.1
147.11691	14.7
147.20734	6.3
149.09587	12.6
149.13298	6.6
149.50035	5.8
151.50832	6.2
155.08594	13.5
156.09372	13.0
157.10168	33.8
159.08110	10.8
159.11691	27.8
161.09637	14.3
161.13281	13.8
171.11714	16.6
173.13290	12.1
175.14830	18.5
177.09103	7.8
177.16380	50.5
183.11678	12.3
185.13258	15.3
188.73088	6.1
189.16432	35.5
197.13275	13.1
199.14848	16.5
201.12872	6.8
201.16391	10.8
209.13312	8.1
209.87637	5.6
210.68910	5.8
211.11179	13.2
211.14871	14.4
254.20293	9.0
353.24689	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.96753	1.3
55.05521	8.7
55.24590	1.5
57.03426	3.4
57.07064	3.0
66.76106	1.5
67.05508	61.3
69.07075	7.4
69.81467	4.0
69.81877	3.7
71.04996	2.9
75.04478	2.0
79.05071	2.1
79.05496	24.7
81.07056	70.4
83.08623	7.4
84.59457	1.4
91.05480	13.6
92.54990	1.4
93.07050	40.1
93.66692	1.4
95.04955	1.6
95.08609	53.7
97.06509	4.0
97.10154	4.3
98.21440	2.4
104.16515	1.5
105.07026	11.1
107.08586	25.7
108.66487	1.4
109.10164	34.2
117.06999	6.5
119.08576	8.3
121.10146	22.7
123.11704	23.0
125.09635	2.6
131.08578	13.5
133.10097	9.7
135.11688	24.3
137.13266	6.7
145.10107	12.1
147.11713	8.6
149.13252	19.4
151.14832	1.8
159.11702	11.1
161.13252	6.0
163.14824	14.3
173.13275	17.2
175.14822	3.3
177.16396	3.3
179.14302	2.4
182.01344	1.7
187.14861	7.8
189.16357	1.8
201.16397	3.3
211.44717	1.6
233.22681	3.8
243.21124	26.9
261.22137	100.0
279.23077	6.9
335.25851	14.9
353.26862	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	3.1
55.05512	13.3
57.03425	5.8
57.07064	4.6
62.86805	2.0
66.87821	2.2
67.05508	91.0
69.07073	10.5
69.23292	18.1
70.83170	1.8
71.04986	2.7
72.07101	1.9
76.86800	2.0
79.05499	44.8
81.07057	100.0
83.08620	8.9
87.71145	1.9
91.05477	19.8
93.07049	52.8
95.08609	75.8
105.07030	18.2
107.08609	31.9
109.10162	30.0
117.07019	7.0
119.08589	12.5
121.10141	28.9
123.11726	17.5
128.96593	2.0
131.08549	13.0
133.10149	10.0
135.11679	23.1
137.13229	4.4
145.10092	12.4
147.11694	11.3
149.13260	15.5
155.12524	2.1
159.11725	12.5
161.13235	6.1
163.14841	11.9
173.13280	11.3
177.16391	3.1
187.14761	10.0
193.34576	2.0
201.16330	3.4
233.22615	2.2
241.13620	2.0
243.21072	18.1
261.22159	72.9
279.23114	4.2
302.60132	2.3
335.25854	11.9
353.26828	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05509	11.3
57.03437	4.6
57.07063	5.0
65.03938	3.3
67.05509	75.2
69.07076	13.7
69.96967	1.4
71.05000	3.9
71.48624	1.4
74.92207	1.5
79.05495	39.0
81.07061	71.6
83.04925	1.7
83.08627	5.4
85.06570	1.6
91.05482	17.2
93.07050	55.9
95.04962	2.1
95.08615	60.4
97.06524	2.9
97.10171	2.4
99.08079	2.8
105.07047	16.2
107.08604	36.8
109.10160	36.8
111.08053	2.2
117.07039	9.3
119.08582	10.8
121.10149	29.4
123.08056	2.2
123.11723	19.1
131.08557	17.7
133.10136	12.3
135.11707	22.8
137.13318	7.4
139.11188	2.0
145.10109	14.5
147.11697	10.3
149.13268	17.4
159.11687	15.3
161.13280	6.1
163.14845	13.2
165.12775	1.8
173.13266	16.2
175.14880	3.1
177.16415	6.1
179.14333	2.3
187.14760	8.0
201.16420	3.5
233.22679	4.7
243.21069	26.5
261.22147	100.0
267.90186	1.8
279.23145	3.4
335.25769	7.9
353.26837	32.1
353.30969	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05283	1.9
55.05510	11.8
57.03431	3.7
57.07073	3.4
67.05511	77.1
69.07064	11.4
69.18626	15.0
71.04997	2.6
74.07477	1.4
77.13389	1.4
79.05502	40.9
81.07063	85.2
83.08614	6.5
85.06551	3.0
91.05492	22.3
93.07050	57.6
95.08613	55.6
97.06528	4.3
97.10179	4.1
98.20734	3.6
99.08095	3.3
105.07040	14.8
107.08605	40.5
109.10167	30.1
111.08067	3.0
117.07012	8.4
119.08577	12.9
121.10156	30.8
123.11735	17.8
131.08580	19.3
133.10143	11.2
135.11710	25.0
137.13231	7.5
139.11215	1.8
145.10150	13.9
147.11697	11.3
149.13268	18.1
153.12807	1.6
154.26038	1.4
159.11723	14.9
161.13234	9.4
163.14867	12.3
173.13239	12.3
175.14807	2.5
177.16426	3.0
187.14809	8.8
206.90105	1.5
211.51501	1.5
215.17924	1.9
233.22658	4.4
243.21114	24.4
261.22174	100.0
279.23132	4.6
335.25809	8.6
353.26892	34.1
358.59140	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.44572	1.0
53.03941	1.9
55.05514	12.5
57.03425	4.7
57.07062	3.7
63.33174	1.3
64.64079	1.2
65.03954	1.9
67.05508	77.1
69.07074	10.2
70.10188	2.4
70.10583	2.5
71.04997	3.2
71.08632	2.2
75.04484	1.0
79.05496	30.4
81.07059	82.4
83.08615	7.2
85.06543	2.4
91.05477	16.3
93.07047	43.1
93.07638	2.2
95.04956	1.5
95.08611	64.9
97.06500	2.4
97.10166	3.8
98.21361	1.2
99.08089	2.2
105.07032	13.1
107.08597	30.3
109.06502	1.4
109.10160	37.1
111.08114	1.7
111.14925	1.0
113.09611	1.8
117.06998	6.0
119.08591	13.0
121.10150	28.4
123.11707	21.9
125.09711	1.2
131.08578	18.0
133.10158	11.5
135.11693	23.4
137.09630	2.2
137.13289	8.9
145.10132	12.3
147.11697	12.8
149.13263	17.4
151.14844	2.4
153.12727	1.9
159.11694	13.1
161.13254	9.2
163.14825	12.1
165.12735	1.5
166.51038	1.1
173.13271	13.8
175.14821	3.9
177.16385	4.4
179.14249	1.1
187.14810	9.2
191.14284	1.4
201.16483	2.3
205.15880	2.0
215.18008	1.2
226.03813	1.2
233.22681	5.5
243.21095	30.1
261.22144	100.0
263.23712	1.8
279.23172	7.2
309.10126	1.2
335.25848	16.5
353.26825	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05515	12.5
56.72645	1.7
57.03428	4.7
57.07068	6.0
67.05510	66.9
69.07080	14.3
70.08640	1.6
71.04995	3.7
71.08599	3.0
71.52931	1.8
79.05495	32.5
81.07066	71.9
83.08624	6.1
89.37038	1.6
91.05483	17.1
93.07052	49.1
95.04958	1.8
95.08614	58.8
97.06522	3.0
97.10194	2.7
99.08115	3.5
105.07050	12.7
107.08604	36.5
109.10169	33.4
110.90941	1.7
113.09695	2.0
113.43047	1.9
117.07012	9.1
119.08590	13.2
121.10156	25.8
123.08100	1.8
123.11710	19.0
131.08568	17.4
131.76639	2.1
133.10146	11.2
135.11690	22.5
137.13246	7.0
145.10112	13.4
147.11679	11.4
149.13283	20.8
151.14871	2.2
153.12772	2.2
159.11702	14.3
161.13255	7.4
163.14838	13.1
173.13301	16.1
175.14827	3.2
177.16414	3.8
187.14848	8.1
193.04837	2.1
201.16328	3.9
205.15955	1.8
233.22659	4.4
243.21091	26.4
261.22159	100.0
279.23059	2.4
282.86191	1.8
335.25897	9.2
353.26758	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
67.05510	2.0
67.16499	0.7
67.77007	0.7
68.05049	1.0
69.03425	1.9
69.07069	1.6
70.06597	20.6
71.04994	1.3
71.52470	1.0
72.08158	14.1
73.04024	3.1
79.05480	2.3
80.05010	2.3
81.07067	4.4
82.06557	1.0
83.08624	1.2
84.08148	2.7
85.02931	1.8
86.09725	1.3
91.05461	0.8
93.07060	4.8
95.08598	3.3
96.08121	1.8
97.02885	0.8
98.06052	5.4
98.09722	1.7
98.97615	1.1
105.07048	1.5
107.08586	4.2
108.08123	22.9
108.08864	1.7
109.06505	1.0
109.08894	1.2
109.10167	1.7
110.09683	2.8
111.04381	0.9
113.07127	3.0
114.05553	6.0
115.08697	7.9
116.07102	2.0
119.08590	1.3
120.08109	3.2
120.08894	0.9
122.06077	1.0
122.09673	9.3
123.10439	1.8
124.11205	1.4
125.07149	1.4
126.12781	1.2
133.10135	2.5
134.09607	1.0
135.11711	3.8
136.11215	3.7
148.11029	1.0
149.13251	0.9
150.12769	22.2
151.13576	7.1
152.14345	18.6
153.12721	0.8
154.15895	2.6
159.07645	1.3
161.13300	1.1
174.13660	0.7
178.12265	1.5
182.15424	1.0
185.44354	0.7
191.14343	1.3
192.14687	2.0
193.04976	10.1
196.16882	3.6
198.18550	1.0
210.14966	1.1
219.14961	2.5
221.09291	0.8
223.21770	1.1
247.18152	1.7
249.12511	1.2
249.19620	7.8
249.23334	1.0
258.98175	0.8
264.20676	0.9
266.22284	9.7
267.20651	1.3
291.17059	0.9
293.18604	100.0
294.19077	1.9
295.20197	9.1
310.21262	45.5
310.24460	1.6
311.23218	3.1
312.22913	0.9
337.21222	73.0
354.23880	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43626	0.3
67.05482	0.3
69.40348	0.6
69.40750	2.4
70.22520	0.3
83.24447	0.3
111.65635	0.3
111.81907	0.4
130.06525	0.9
130.69138	0.3
143.07332	0.3
144.08080	2.7
145.01079	0.3
156.08107	9.5
157.08864	0.7
158.09654	2.8
170.09659	1.6
171.10445	1.9
172.11241	3.1
172.41496	0.4
184.11229	1.3
185.12030	0.7
186.12715	1.0
198.12869	1.3
199.13486	0.5
200.14374	0.4
212.14366	0.4
214.15923	5.4
226.15939	0.7
228.17485	100.0
229.17810	1.8
229.88495	0.4
241.10410	0.4
256.20627	3.4
257.18677	0.5
257.21371	8.2
258.21863	0.5
354.27936	53.1
355.28165	1.0
366.15155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05517	11.3
57.07076	13.3
58.06609	16.7
60.04518	3.3
67.05499	7.3
69.07076	18.0
69.28435	1.3
70.02943	1.7
70.06605	7.8
71.04983	1.4
71.08637	9.8
71.53549	1.5
72.04511	2.3
72.55095	1.2
72.62997	1.4
74.06087	2.8
79.05499	2.6
79.33408	1.5
81.07054	12.2
82.06591	2.1
82.52280	1.5
83.04992	1.7
83.08614	13.3
84.08136	5.6
85.10184	3.8
86.01122	1.2
86.06067	4.8
93.07045	2.5
95.08616	15.2
97.10178	9.7
109.10179	7.2
111.11732	3.1
112.11260	2.0
123.11696	4.4
125.13367	1.4
185.23590	1.4
268.29996	2.8
299.95190	1.4
306.31555	3.4
307.29730	1.6
308.33173	3.1
326.34311	4.0
336.32596	10.3
354.33682	100.0
355.33954	1.7
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
53.03939	0.4
55.05275	0.4
55.05516	5.0
55.12016	0.3
57.07074	0.7
58.06599	0.3
60.04501	0.3
65.03925	0.5
65.79842	0.3
67.05511	10.1
67.29754	0.3
69.07071	4.4
70.06596	11.0
70.14339	0.5
70.14695	1.0
74.06077	0.8
79.05481	1.7
81.07059	6.9
83.08618	1.3
86.06075	0.4
86.09710	0.5
88.07639	15.1
91.05489	0.4
93.07050	0.6
95.08613	4.1
99.61794	0.3
102.09195	3.8
106.08672	6.2
109.10165	1.5
112.71695	0.3
118.18462	0.3
119.08537	0.3
121.10167	0.3
165.05475	0.5
167.03441	0.4
184.07355	0.7
187.07506	0.4
201.09241	0.4
210.06786	0.7
211.07480	0.9
219.24936	0.3
237.40671	0.3
238.84978	0.3
239.07161	0.6
242.05878	0.5
256.07343	5.6
257.08090	5.2
262.22461	0.5
267.06525	0.5
293.08060	0.4
309.14835	0.4
310.30978	0.6
311.12762	0.7
319.13272	1.2
336.32623	5.4
337.14346	1.6
354.33673	100.0
355.15359	1.5
355.33975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	ST077074
Peak:m/z	Relative Intensity
67.01857	0.6
68.99776	0.3
70.90918	0.3
73.44273	0.1
76.80965	0.2
79.38696	0.1
85.02877	0.4
123.62795	0.2
125.06010	0.5
127.03872	0.3
137.06046	0.4
147.04437	0.4
151.03905	0.4
153.01834	0.6
169.04932	0.3
193.04973	100.0
194.05278	0.7
259.28699	0.1
280.74799	0.2
351.97217	0.2
355.10165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Vismione B
Peak:m/z	Relative Intensity
53.03952	1.1
55.05520	5.2
56.78588	0.8
57.02579	0.7
57.03445	4.2
57.07095	1.1
67.05509	10.1
69.07072	5.7
70.06586	3.4
70.98134	0.8
78.06021	0.8
79.05482	3.3
81.07069	14.7
83.08616	3.1
88.07644	4.9
91.05483	1.7
93.07047	2.6
95.04969	0.7
95.08618	7.2
97.06517	1.7
97.10178	1.6
102.82780	0.8
106.08676	1.7
107.08569	2.5
108.56809	0.7
109.10150	3.5
111.08112	0.9
111.11723	1.0
119.08591	1.4
121.06536	3.7
121.10149	2.6
123.04417	2.7
123.11689	1.6
129.47658	0.8
133.10153	1.7
135.11726	1.3
137.13225	0.7
139.13548	0.8
146.75568	0.9
147.11702	1.2
149.06012	1.2
155.08516	1.0
159.08025	1.5
161.05952	0.8
161.09592	1.4
165.05531	6.8
165.06827	1.5
167.03436	4.9
173.13419	1.0
181.06578	0.9
182.07352	4.9
183.08073	2.4
184.07358	0.8
187.07579	7.2
189.09038	1.7
201.09195	1.7
201.12778	3.1
203.10686	2.1
207.10161	0.8
210.06779	6.9
211.07558	14.8
213.05405	1.4
213.09126	1.4
214.06334	1.4
215.07156	0.9
223.07483	1.8
225.09123	1.3
227.07025	1.7
229.08607	1.7
238.06361	1.4
239.07039	12.6
240.07774	2.7
241.08643	3.1
242.05739	8.7
245.22708	3.0
248.08192	1.4
249.09196	1.1
251.06946	1.1
253.08633	1.5
255.06613	1.0
256.07336	94.2
257.08115	100.0
258.08408	1.5
263.23737	4.1
264.07791	1.8
265.08575	1.6
266.09454	1.0
267.06540	6.6
267.09378	0.9
267.10245	0.9
267.13892	0.9
269.08112	6.9
275.07077	2.1
276.07837	1.3
277.08640	6.5
277.11890	1.0
279.06714	0.9
280.07281	1.6
281.08038	5.2
285.07526	1.7
290.09427	2.0
293.08145	3.5
293.11768	3.3
294.08810	1.7
295.09805	5.1
295.12683	1.2
309.11502	0.9
309.14810	9.1
311.12833	21.3
311.16223	0.8
319.13290	16.8
337.14383	29.0
337.27280	2.5
337.32919	1.7
354.33673	6.5
355.15433	33.4
355.19818	1.7
355.28976	2.0
355.34027	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Vismione B
Peak:m/z	Relative Intensity
55.01873	1.3
55.05526	1.0
57.03435	1.9
58.05888	0.8
61.99664	1.0
67.05512	1.5
69.03429	1.0
75.28127	0.9
79.05491	1.5
81.07050	5.4
91.05466	1.4
93.07053	1.2
95.04948	0.9
95.08611	2.3
97.06531	1.0
109.06541	0.9
109.10166	1.0
119.08564	1.2
121.06514	3.4
123.04472	3.0
137.05978	1.1
147.08011	1.5
149.05984	1.1
159.08095	2.2
161.05995	1.1
165.05501	7.2
167.03389	5.3
179.14381	1.2
181.06433	1.1
182.07286	4.2
183.08083	2.1
187.07568	5.8
193.04988	1.3
195.08105	0.9
200.93509	0.8
201.09293	1.6
201.12785	2.5
203.10724	1.9
210.06796	5.5
211.07559	15.0
223.07671	1.8
227.07019	2.1
229.08656	1.7
235.07530	0.9
239.07068	14.3
240.07791	1.7
241.04985	1.2
241.08644	3.4
242.05771	10.8
249.09032	0.9
255.06587	2.0
256.05191	1.5
256.07321	90.7
257.08099	100.0
258.08359	1.0
264.07828	2.0
265.08508	1.1
267.06573	8.7
267.10361	2.1
267.13623	1.3
269.08118	7.5
269.15741	1.0
275.07120	3.2
277.08554	6.4
278.09271	1.1
279.06552	1.4
280.07361	1.3
281.08044	6.0
283.39999	0.8
285.07578	1.3
290.09393	3.2
291.13748	1.3
293.08093	4.1
293.11719	3.7
294.08780	2.4
295.09705	5.7
295.13095	1.5
309.14923	10.3
311.12796	22.3
311.16098	1.0
319.13275	17.0
337.14343	33.6
342.13989	0.9
355.15448	36.3
355.22559	2.0
355.30380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Vismione B
Peak:m/z	Relative Intensity
55.01868	1.5
55.05497	2.0
57.03417	4.4
67.05495	2.5
67.89310	0.9
69.03442	1.6
69.07056	1.6
69.35767	7.9
71.04999	1.2
79.05489	2.4
81.07050	6.3
83.08627	1.5
85.02889	1.8
93.07029	1.6
95.04903	1.0
95.08620	1.8
98.21587	1.5
98.43460	0.8
99.08102	1.3
104.57233	1.0
105.07052	1.2
119.08554	1.6
121.06529	5.5
123.04385	3.0
127.03928	1.4
131.08536	1.2
135.04387	1.1
141.07027	1.1
147.04451	1.3
147.08015	1.7
149.05925	1.3
159.08063	3.3
161.05965	1.6
165.05522	7.4
167.03404	4.4
173.09647	1.3
178.35690	0.9
182.07312	4.4
183.08052	2.8
187.07574	6.1
189.09152	1.1
193.05005	2.2
195.08211	2.0
199.07475	1.0
201.09164	1.5
201.12756	4.4
203.10796	2.1
209.09659	1.0
210.06808	6.0
211.07541	17.1
213.09297	1.1
223.07515	1.6
225.09210	1.3
227.07063	2.0
229.08612	1.9
235.07555	1.5
236.08408	1.2
238.06230	1.2
239.07079	13.4
240.07816	2.8
241.08583	5.0
242.05731	10.9
248.08540	1.2
249.09102	1.7
251.06866	1.3
253.08633	3.6
256.07315	100.0
257.08102	96.6
264.07809	1.8
265.08575	1.5
267.06564	8.9
267.09387	1.5
269.08115	9.7
269.10709	1.6
270.08768	1.1
271.09692	1.4
275.06927	1.8
276.07755	1.7
277.08563	7.4
279.06482	2.3
280.07410	1.6
281.08060	7.9
285.07587	1.3
290.09357	2.2
293.08093	6.7
293.11786	3.7
294.08856	3.1
295.09595	5.5
295.13013	2.1
296.10577	2.0
309.14868	9.3
311.12848	18.3
311.16342	1.0
319.13281	19.7
337.14368	42.1
355.15408	36.7
355.22324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.50407	1.8
52.55864	1.6
53.03952	2.8
55.01861	4.1
55.05518	27.7
57.00862	1.7
57.03444	9.4
57.07082	16.1
65.03926	3.3
67.05510	78.2
68.99319	1.8
69.07076	37.4
69.33422	15.3
71.04996	3.2
71.08630	6.2
79.05501	25.9
81.07063	100.0
83.08626	28.3
85.06538	4.5
85.10175	2.5
91.05472	15.5
93.07059	32.1
95.04979	2.1
95.08612	87.6
95.10500	1.9
97.06542	10.1
97.10178	19.5
99.08083	2.6
103.03969	1.8
105.07045	18.0
107.08619	18.0
109.09470	3.5
109.10172	50.3
111.08067	3.9
111.11710	5.7
119.08585	17.5
121.10157	29.2
123.11699	25.7
125.09657	2.6
125.13239	2.2
127.11174	2.5
129.05470	2.8
133.10150	15.0
135.11693	18.0
137.13280	12.5
141.12743	2.7
147.11714	11.6
149.13251	16.9
151.14838	5.7
155.14363	2.5
161.13268	17.9
163.14836	12.1
165.12727	3.8
165.16382	8.5
175.14815	13.4
177.16422	2.6
179.17894	5.0
181.15823	2.7
189.16396	8.3
203.17972	3.6
228.55565	2.0
245.22693	56.6
263.23730	62.5
264.24265	2.0
281.24734	2.3
305.99744	1.8
337.27408	35.7
355.28345	9.1
355.33807	2.8
356.35217	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24709	3.6
55.05516	32.7
57.03440	9.1
57.07077	21.0
65.36825	4.1
67.05508	70.4
69.07068	38.3
71.08625	6.2
71.52535	5.6
72.08146	5.3
75.93210	3.6
79.05505	23.7
81.07060	100.0
81.14756	3.8
83.08621	33.6
85.06534	6.7
85.10187	11.2
88.07613	4.3
91.05455	17.3
93.07050	31.8
95.08615	84.0
97.06532	8.9
97.10179	16.0
99.08087	6.3
105.07016	15.5
106.08640	4.0
107.08592	23.0
109.10161	42.6
111.08103	5.0
111.11745	6.1
113.09623	4.4
119.08561	20.2
119.13712	3.7
121.10175	30.5
123.08083	3.9
123.11762	18.7
126.63150	4.1
133.10132	22.6
135.11696	14.1
137.13271	10.6
147.11684	11.0
149.13252	15.0
161.13249	20.3
163.14810	18.0
165.12709	4.8
165.16403	8.0
175.14874	11.6
179.17882	3.8
208.21736	4.2
245.22655	53.6
263.20190	6.0
263.23682	52.1
270.08926	13.9
271.09668	11.9
294.08481	5.7
299.25775	4.2
337.14371	8.3
337.27380	34.4
355.15283	9.0
355.24329	4.9
355.28497	16.9
355.33914	10.9
356.35172	48.0
356.39124	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05272	2.5
55.05515	33.0
57.03428	6.7
57.07076	13.1
66.48975	1.8
67.05507	79.5
69.07072	35.1
69.81628	10.2
71.08621	6.8
75.04469	3.1
75.28449	1.8
79.05501	25.8
81.07059	100.0
83.08161	2.5
83.08625	27.6
85.06520	4.4
85.10172	2.2
91.05464	18.3
93.07040	24.9
95.08609	86.6
97.06535	7.3
97.10190	16.5
99.08064	4.2
105.07037	13.7
106.17850	2.0
107.08604	15.6
109.09483	2.9
109.10171	43.9
111.08086	4.0
111.11703	7.3
113.24063	2.0
119.08593	16.0
121.10159	27.8
123.11715	21.2
125.09602	2.5
125.13181	2.3
129.05440	2.4
133.10121	17.3
135.11687	17.5
137.13248	11.3
141.12733	3.3
147.11734	13.8
147.12755	2.9
149.13251	10.8
151.11171	2.4
151.14799	4.4
161.13254	14.2
163.14828	11.8
165.12724	2.6
165.16394	9.4
175.14806	10.0
177.16336	4.2
179.17967	3.9
181.15923	2.8
189.16386	7.3
192.35593	2.0
193.15942	2.1
229.17697	3.0
245.22632	54.0
263.23721	54.9
265.25104	2.4
269.35352	2.2
337.27380	47.1
355.28201	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	357.264
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.01874	4.4
55.05511	32.2
57.07080	8.0
66.35727	2.9
67.05510	28.4
69.03413	9.6
69.07076	46.0
71.52897	3.8
79.05501	21.8
81.03417	3.4
81.06586	6.1
81.07066	100.0
83.04993	7.3
83.08628	6.4
85.06565	14.8
91.05484	9.1
93.07059	41.9
95.04996	14.5
95.08620	73.5
97.06536	15.4
97.10175	47.4
99.08081	8.4
101.06018	5.2
105.07031	21.2
107.08595	33.8
109.06519	9.2
109.10187	29.1
111.08088	18.9
111.11721	13.9
119.08612	18.7
121.06508	3.3
121.10148	38.2
123.11721	58.9
131.08601	4.9
133.10133	12.8
135.11708	28.6
137.13249	10.6
139.11205	36.8
141.12772	3.1
145.10110	7.0
147.04456	5.1
147.11691	27.1
148.46902	3.1
149.09630	3.1
149.13263	6.1
151.11205	5.7
153.12758	21.9
157.12231	23.8
159.11723	8.8
161.13258	7.4
163.11221	6.2
163.14873	3.8
165.12804	12.7
169.12332	6.1
171.13899	5.3
174.88054	3.0
177.12808	3.4
179.14352	3.4
187.13290	9.4
187.14854	4.7
195.02921	13.2
203.12747	10.0
227.14000	3.0
251.16359	7.9
265.18066	4.0
275.23660	10.0
291.23239	11.4
293.24796	6.8
303.23233	44.8
307.37134	3.3
309.24365	8.4
321.24280	57.9
339.25287	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.30409	6.5
53.88914	6.3
55.05515	59.5
57.03439	9.2
57.07089	40.2
57.35786	6.3
62.42281	6.0
67.05509	69.5
69.07070	90.6
71.08633	27.6
79.05496	38.2
81.07056	84.3
83.08629	75.5
85.10194	10.2
91.05471	7.1
93.07050	50.4
95.08606	92.6
97.06521	29.4
97.10185	43.8
98.21463	16.0
104.92613	7.7
107.08610	34.3
109.10160	51.7
111.08083	16.3
111.11698	16.4
111.33075	7.0
112.61887	6.6
121.10143	82.5
123.11721	16.6
135.11700	61.6
141.61087	6.3
149.13254	29.0
151.14888	8.0
163.14842	18.5
165.16513	11.1
171.13884	6.6
189.59901	7.0
207.28015	6.5
229.00922	7.4
247.24223	86.8
265.25293	90.0
283.26471	7.5
339.28940	100.0
344.32861	6.6
357.11801	16.2
357.29901	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	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.74746	3.3
53.03941	4.1
55.05273	4.7
55.05517	69.4
57.03427	11.0
57.06835	4.4
57.07083	43.4
67.05509	79.9
67.33696	3.2
69.06737	6.3
69.07074	89.3
70.06564	9.2
71.08643	27.9
71.53064	3.6
73.92213	3.8
77.31554	3.1
79.05499	43.2
81.06587	6.7
81.07063	97.6
83.04980	3.4
83.08630	71.9
85.10175	15.1
88.07648	7.1
89.07956	3.9
89.87418	3.6
91.05442	4.4
93.07054	48.2
95.08613	86.5
97.06523	24.9
97.10175	36.6
101.05946	4.3
105.07023	4.6
106.08656	8.4
107.08580	38.7
109.10172	41.1
111.08074	11.7
111.11713	10.5
121.10157	78.6
122.75107	3.3
123.11739	19.5
125.09626	6.1
135.11710	57.4
137.13272	7.4
139.11192	4.8
149.13257	26.9
151.14818	9.5
153.12790	5.1
163.14822	15.1
165.16423	8.0
176.99060	3.6
177.16400	10.3
191.17920	6.9
193.52469	3.3
195.79288	4.1
203.35757	3.4
247.24245	71.0
265.25296	89.6
283.26373	4.6
339.28973	62.3
357.30011	11.6
357.35571	100.0
358.36932	4.8
378.48474	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03935	3.3
55.05280	3.5
55.05520	60.6
57.03440	10.0
57.06802	2.1
57.07082	36.6
58.32018	1.9
59.99765	2.1
65.51041	2.0
67.05512	63.9
69.07079	100.0
70.06583	7.8
71.04988	3.7
71.08649	21.9
73.31322	2.2
75.04494	2.3
79.05503	38.4
81.07066	80.2
83.04999	3.9
83.08629	67.0
85.06551	3.0
85.10210	13.5
88.07613	9.3
89.07946	3.4
91.05490	5.4
93.07056	51.0
93.83472	1.9
95.08620	82.4
97.06535	22.8
97.09644	3.0
97.10192	38.0
99.08108	2.4
102.44512	2.3
103.03950	2.7
105.07000	2.4
106.08624	6.6
107.08594	36.8
109.09477	3.1
109.10176	45.5
111.08067	13.0
111.11723	17.6
113.09648	2.9
115.07626	2.8
121.10157	83.2
123.11723	15.0
125.09621	6.6
125.13285	5.2
129.05467	3.0
132.35300	2.0
135.11707	59.8
137.13264	8.2
139.11209	7.6
149.13283	24.5
151.14801	7.6
153.12761	4.2
163.14839	14.6
165.16417	7.2
167.14236	2.5
171.13815	3.1
177.16441	5.6
191.17973	3.7
247.24246	80.0
265.25284	87.6
283.26300	8.0
339.28958	69.8
339.33963	4.4
357.26028	3.1
357.30273	8.7
357.35577	86.1
368.80304	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.9
57.03437	3.5
57.07084	16.9
67.05511	30.9
69.07073	43.9
70.06601	8.8
71.04994	1.9
71.08624	10.2
71.25475	3.5
79.05501	16.7
81.07060	33.2
83.04995	2.8
83.08629	29.7
85.06561	2.5
85.10189	5.0
88.07633	12.4
89.07953	2.9
91.05466	4.1
93.07054	24.6
95.08061	2.9
95.08616	38.0
97.06527	9.8
97.10175	21.9
99.08084	2.5
102.09159	3.5
105.07090	2.5
106.08672	4.1
107.08584	18.5
109.10168	20.4
111.08073	5.0
111.11688	6.0
116.95528	1.6
121.10133	34.4
123.11694	7.8
125.09592	2.0
125.13271	2.3
135.11690	25.7
137.13200	3.4
149.13261	11.2
151.14851	4.2
153.12790	2.1
163.14763	4.9
165.16452	4.0
177.16345	3.5
191.17970	2.0
199.03616	1.7
221.53423	1.7
247.24214	29.5
261.90344	1.6
265.25247	42.4
283.26376	3.9
339.28937	28.9
339.34442	4.4
357.30563	3.8
357.35571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.05509	2.3
56.05023	1.6
57.03420	0.9
61.02940	0.7
64.64499	0.4
65.03924	0.5
67.05504	2.9
68.05022	0.5
69.03391	0.6
69.07048	1.2
69.62154	1.2
69.62566	1.3
70.06593	0.5
71.04995	2.1
71.58154	0.4
72.08141	2.8
74.06076	0.9
74.46451	0.5
79.05493	3.5
80.05008	1.0
81.03415	1.0
81.07064	2.8
82.06576	1.8
82.07372	0.4
83.01254	0.4
83.04965	1.5
84.04510	2.1
84.08125	0.5
85.02888	1.2
86.06044	1.0
86.09712	3.6
91.05470	1.6
93.07048	1.3
94.06553	0.9
95.04949	1.0
95.08617	2.5
96.04462	0.9
96.08096	0.6
97.06509	1.2
97.10173	1.9
98.06014	0.7
98.10511	0.7
100.07610	0.7
102.05500	0.8
105.06997	1.0
105.60799	0.4
107.04962	0.6
107.08583	1.6
108.04461	1.8
108.08112	1.5
109.06522	0.8
109.10136	0.8
110.06025	1.4
113.09660	2.3
117.05695	0.5
118.06525	1.1
119.08528	0.5
120.08107	1.9
122.06046	1.3
122.09624	1.5
122.27285	0.4
123.08038	1.0
124.03967	1.1
124.07581	1.6
125.05990	1.5
126.05507	0.4
130.05022	2.0
132.08090	0.8
134.05995	0.6
134.09650	1.0
135.08011	2.0
136.03932	6.0
136.07578	1.8
136.11192	0.6
138.05482	1.2
138.09088	1.2
139.11082	0.5
144.11024	0.5
146.05943	0.5
146.11754	1.1
148.07529	0.5
148.11195	0.7
149.08458	0.7
149.09622	0.5
150.05501	1.4
150.09143	3.5
151.06291	1.0
152.07054	1.4
152.10666	0.8
154.04950	1.6
154.12289	0.5
162.09166	0.7
162.12720	0.8
162.61923	0.4
164.07072	3.0
164.10695	2.0
166.08575	2.2
166.12289	0.6
172.66243	0.4
176.07092	1.0
178.05026	0.5
178.08656	1.2
178.12286	1.2
180.10167	1.0
180.13811	1.8
182.08231	0.6
185.16496	1.7
188.10739	0.5
190.08643	0.8
190.12273	1.4
191.05754	1.5
192.06531	3.8
192.10191	2.2
193.07355	3.9
194.04428	1.4
194.08150	8.2
194.11749	2.4
196.03203	0.6
196.56865	0.5
206.11838	3.9
208.09595	1.2
208.13335	4.1
210.07578	0.7
212.09239	0.6
213.16005	0.9
214.80063	0.5
218.11778	1.0
220.05998	0.6
222.11292	0.5
224.12834	1.6
226.10721	0.7
228.05016	6.2
234.11241	3.6
236.08997	0.9
236.12823	33.1
238.07109	4.5
252.12308	4.7
254.13969	1.4
262.10690	0.8
262.72125	0.4
270.13431	2.1
280.11801	100.0
281.12051	0.6
298.12885	19.5
309.43683	0.5
312.14441	4.2
322.24402	0.9
330.15430	0.6
338.50696	0.4
340.13974	0.6
340.25751	0.6
358.14969	35.0
359.15323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
57.07081	6.1
58.06591	0.7
60.04513	0.2
62.06079	0.3
68.05038	0.3
69.07092	0.2
70.06599	11.0
71.08637	3.0
71.83118	0.1
72.08141	0.2
77.98125	0.1
85.10204	1.1
88.07638	14.3
98.20758	0.5
102.09186	3.6
106.08678	7.4
122.40359	0.2
148.11922	0.2
239.96246	0.1
268.43332	0.1
296.33133	0.3
314.34149	0.8
340.35748	6.3
356.34286	0.2
358.36804	100.0
359.37115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05803	2.1
55.01878	39.3
55.02145	2.3
57.03436	1.8
61.02932	9.9
63.43696	1.9
65.03992	2.3
67.01856	3.5
69.60413	7.0
69.60816	4.7
71.01345	2.1
75.03372	1.8
81.03432	3.9
83.01344	3.5
85.02895	2.2
95.01344	2.4
95.04961	2.3
97.02875	3.7
105.03430	2.7
106.49965	1.9
109.02879	6.6
121.02881	11.0
123.00813	2.4
123.04439	8.8
125.02352	2.6
133.02844	7.8
137.02318	8.5
147.00768	2.0
149.02380	11.6
151.03902	15.7
155.03442	5.1
161.02319	4.4
163.00298	2.1
163.03905	3.6
165.01804	10.0
167.03407	18.0
169.01283	2.1
169.04948	4.8
175.00203	2.4
176.70854	2.4
177.01842	4.3
179.03418	29.8
181.01326	2.7
183.02917	5.0
184.03732	4.8
185.04402	3.3
187.03976	3.0
189.01788	9.4
191.03419	3.7
193.01343	25.1
193.05103	2.9
195.02953	14.2
197.04424	25.3
203.03363	2.9
205.01389	3.7
205.05026	3.3
207.02887	31.7
209.00826	2.7
209.04510	6.0
211.02388	60.8
217.01387	3.3
219.02771	5.0
221.00920	6.3
221.04491	5.3
223.02402	17.5
223.05888	3.3
225.03906	26.0
231.02882	5.1
233.00854	7.3
233.04391	5.3
235.02409	39.7
237.03914	9.8
243.03024	2.0
247.02412	5.6
249.00363	6.3
249.03929	14.8
251.01826	20.5
251.05521	4.8
253.03429	44.3
259.02399	2.2
261.03891	3.1
263.01819	13.5
265.03546	4.6
267.01422	2.8
269.02954	9.8
277.03354	13.3
279.05060	6.1
281.02914	35.1
287.01886	5.5
295.04474	40.1
305.02884	24.0
313.05530	43.3
323.03958	100.0
341.05035	66.8
359.06128	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	359.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24717	0.5
53.03942	2.3
55.01863	3.7
55.05505	0.8
55.42530	0.5
57.03432	3.1
59.04970	0.5
60.22973	0.5
61.02926	7.2
65.03917	0.6
67.01857	3.3
67.05495	1.1
69.03429	13.3
69.20132	3.8
69.20554	1.1
70.06590	1.3
71.04973	2.3
72.08159	6.2
73.02913	3.4
79.05499	1.2
81.03417	7.8
81.07034	0.6
83.01340	3.7
84.04494	0.9
84.08134	0.6
85.02905	46.2
86.09705	4.2
87.04472	1.5
91.03941	3.5
95.04961	2.7
97.02893	14.3
99.04475	2.8
101.02403	0.5
105.03381	1.6
107.04923	0.6
109.02874	6.9
116.07107	0.6
121.02849	1.0
123.04432	7.7
127.03922	9.7
129.10159	0.5
131.04880	0.6
133.02829	2.8
135.04428	0.9
139.03836	0.6
143.11798	1.5
145.03015	1.0
145.04958	10.0
147.04417	0.6
149.02296	3.2
151.03906	10.9
153.01898	0.7
154.25777	0.5
159.04468	0.9
161.02403	1.5
163.03899	3.1
165.01920	0.8
167.03409	3.0
169.04962	12.8
171.11337	1.2
173.02379	2.2
177.01828	1.8
177.05472	0.9
179.03394	24.2
181.04974	1.6
187.03914	1.2
189.01758	0.9
189.12369	1.9
191.03427	1.9
193.01318	1.3
195.02846	3.4
197.04453	100.0
198.04774	0.7
201.01794	2.6
203.03355	1.6
205.04993	2.0
207.02954	2.5
209.04445	1.6
211.02383	1.3
217.01306	1.4
219.02899	6.8
221.04529	1.6
223.02397	1.7
223.05972	4.2
225.04047	2.5
231.03003	1.2
233.00812	1.2
233.04485	1.1
235.02386	15.8
237.03961	4.4
243.02725	0.6
249.03957	1.7
251.01826	6.7
251.05481	7.8
253.03450	4.9
259.02310	0.6
261.03943	2.0
263.01907	0.9
269.02930	8.3
277.03439	0.8
279.04929	3.3
281.02921	25.0
305.02847	0.9
323.04044	2.6
341.05020	9.1
344.73450	0.5
359.06088	1.1
359.13022	1.4
374.61047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38469	0.1
53.03948	1.2
55.01868	2.6
55.05508	0.3
57.03438	3.4
59.05000	0.4
61.02927	7.3
65.03951	0.2
67.01863	2.0
67.05503	1.3
68.99788	0.2
69.03429	14.1
69.07076	0.1
70.06592	0.7
71.01337	0.1
71.04599	0.1
71.04993	1.9
71.08643	0.1
71.15342	0.1
72.08151	0.5
73.02918	2.3
75.04497	0.1
77.03925	0.2
79.01869	0.1
79.05497	0.4
81.03419	7.0
83.00838	0.2
83.01341	4.0
83.04976	0.2
84.04505	0.2
84.08140	0.2
85.02905	48.8
86.03214	0.1
86.09229	0.1
86.09709	1.2
87.04472	2.0
91.03957	3.2
91.05485	0.2
93.03358	0.2
93.07059	0.1
95.01343	0.2
95.04964	2.4
97.02892	15.4
98.97566	0.1
99.04453	2.9
101.02405	0.3
105.03400	1.3
105.04512	0.1
105.07078	0.1
107.08563	0.2
109.02880	4.0
115.03941	0.3
116.07140	0.1
123.04430	6.5
125.02327	0.1
126.01405	0.1
127.03918	10.9
129.10234	0.2
133.02841	1.4
133.45302	0.1
135.08064	0.1
137.05919	0.1
139.03920	0.2
141.05470	0.1
143.11766	0.1
145.04958	11.8
146.67732	0.1
151.03905	9.8
151.11179	0.2
155.03308	0.2
155.08099	0.1
161.02333	1.1
163.05969	0.2
163.07437	0.1
169.04964	13.6
170.05257	0.1
179.03397	20.6
180.03668	0.1
181.08585	0.1
197.04453	100.0
198.04785	1.0
208.09674	0.2
262.62732	0.1
273.68832	0.1
295.89893	0.1
297.12457	0.1
322.29782	0.1
359.09927	0.5
359.16806	0.3
360.14569	0.1
367.14786	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	359.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01867	3.9
57.03443	3.2
58.17763	0.6
61.02928	8.7
65.03932	0.6
67.01865	2.9
67.05492	1.8
69.03433	13.9
69.52536	2.8
69.52950	1.3
70.06592	1.3
71.04977	1.8
72.08158	6.3
72.19627	0.5
73.02931	3.7
77.03955	0.7
79.05479	0.6
81.03417	7.7
81.14153	0.5
83.01347	4.5
84.04482	0.6
84.08105	0.8
85.02905	48.4
86.09704	3.9
87.04469	2.6
91.03960	2.3
91.05480	0.9
93.11581	0.5
95.04961	2.5
97.02892	15.6
98.21489	1.1
99.04465	3.2
102.05506	0.7
105.03382	1.4
109.02882	7.0
110.17188	0.6
112.03375	0.6
116.07116	0.9
116.08394	0.7
116.45425	0.5
121.02876	0.9
123.04424	8.1
127.03925	11.1
133.02852	2.1
135.04416	0.7
137.02303	1.2
137.06023	0.7
139.03857	1.7
143.11821	1.0
145.02913	1.3
145.04964	11.4
147.04398	0.8
149.02359	2.3
149.05930	0.7
151.03909	13.6
161.02330	2.0
163.03926	5.4
165.01768	1.1
167.03389	4.2
169.04973	14.0
171.11281	1.0
173.02319	3.0
177.01878	1.4
177.05400	1.2
179.03404	26.3
181.04996	2.3
187.03807	0.7
189.01802	1.2
189.12312	2.6
191.03406	1.6
193.01353	1.6
195.02896	3.2
195.06476	0.6
197.04456	100.0
198.04860	1.1
201.01846	2.6
203.03421	1.7
205.04910	2.2
206.91223	0.6
207.02950	3.4
209.04506	1.7
211.02322	1.2
217.01271	1.3
219.02890	7.8
221.04446	2.1
223.02412	2.1
223.06024	3.5
225.03957	2.9
233.00815	1.8
233.04428	1.4
235.02385	17.9
237.03923	5.5
249.03923	2.2
251.01894	7.4
251.05504	7.5
253.03442	5.5
261.03949	2.1
263.01819	0.7
265.03342	0.8
269.02933	8.1
277.03406	1.2
279.04987	3.4
281.02917	27.1
295.04395	0.6
305.02850	0.8
323.04208	1.3
341.05078	9.9
359.06049	0.8
359.12936	1.4
359.16785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01870	2.7
55.05524	0.3
57.03437	3.8
59.04986	0.5
61.02928	6.8
61.07125	0.3
67.01861	1.7
67.05506	1.5
69.03431	14.9
70.06596	1.5
71.04993	2.4
72.08155	2.7
73.02915	3.0
73.70554	0.3
75.47247	0.3
79.05500	0.6
81.03420	5.9
83.01334	3.3
83.06117	0.7
84.04504	0.6
84.08118	0.4
85.02907	49.4
86.09705	2.6
87.04475	2.3
90.77518	0.3
91.03949	3.6
91.18793	0.3
95.01358	0.5
95.04974	2.5
97.02894	15.3
98.20718	0.6
98.21415	1.1
99.04456	2.9
101.07109	0.3
105.03374	1.7
109.02889	4.3
115.03915	0.5
116.07109	0.7
121.10177	0.3
123.04436	6.2
127.03921	10.4
129.06699	0.3
132.10172	0.6
133.02853	1.5
136.03946	0.3
141.05498	0.3
143.11795	0.3
145.04967	12.7
147.04425	0.3
151.03905	11.5
161.02336	1.1
163.03961	0.4
169.04964	13.0
179.03395	20.0
182.12845	0.4
183.11264	0.7
191.07039	0.5
197.04457	100.0
198.04781	0.9
203.14041	0.3
208.09691	0.6
220.21965	0.3
228.13539	0.5
341.21683	0.6
359.10135	0.4
359.16748	3.4
359.23105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10942	0.4
55.01868	0.8
57.03434	0.8
61.02913	1.6
67.05502	0.6
69.03436	3.0
69.07073	0.5
70.06603	0.8
70.13008	0.6
70.13347	1.4
71.04984	0.4
72.08137	0.7
73.02903	0.6
79.05505	1.8
81.03420	1.1
81.07068	1.2
84.04497	0.4
84.08113	0.6
85.02911	9.9
86.09709	2.9
91.05479	2.5
93.07053	5.0
95.04967	0.4
95.08600	1.3
95.63416	0.3
97.02892	2.1
97.06501	0.5
99.04470	0.8
105.07042	5.6
107.08601	29.1
109.02883	1.1
109.06470	0.7
109.10176	1.8
119.04977	0.4
119.08582	4.4
121.06503	0.9
121.10139	4.2
123.08081	0.5
123.11696	1.3
127.03951	1.3
129.10226	0.5
131.08612	0.8
133.06714	0.4
133.10139	16.8
135.11676	1.0
137.05956	0.9
137.09573	0.9
139.07545	1.2
143.08569	0.9
145.04987	1.3
149.09634	3.0
151.07593	0.7
151.11191	6.0
157.66000	0.4
161.09650	5.1
167.10686	11.1
169.04984	0.4
179.09105	0.8
179.10669	14.5
187.61983	0.4
197.04451	1.5
197.11742	100.0
198.12024	1.0
206.01855	0.4
228.13544	0.6
244.74875	0.4
286.62527	0.4
342.00888	0.4
359.16531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01870	1.0
57.03419	1.7
61.02906	2.9
63.05061	0.9
67.05511	1.6
69.03435	6.7
69.86427	1.5
69.86845	3.2
70.06558	1.3
73.02917	1.4
75.94718	1.0
79.05495	1.6
81.03403	3.5
81.07052	2.0
84.08138	1.5
85.02905	26.9
86.09706	6.7
91.05474	2.7
92.63020	1.2
93.07041	8.0
95.04974	3.2
97.02883	5.3
105.07015	6.7
107.08603	17.1
109.02871	2.6
109.06524	1.6
109.10162	2.3
111.20658	1.0
119.08575	2.2
121.06489	3.0
122.44552	1.1
123.04380	1.8
127.03905	4.6
133.10126	20.2
135.11699	19.0
137.09624	2.4
145.04990	3.7
151.11176	1.9
161.09622	9.3
163.06349	1.0
164.10245	0.9
169.04959	1.0
179.10680	36.1
183.08781	1.0
197.04486	1.4
197.11743	100.0
217.58759	0.9
227.32491	1.1
230.28130	1.1
319.48474	1.3
352.41171	1.0
359.16470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03940	1.0
55.01853	1.2
55.05536	0.9
55.07900	0.7
57.03441	1.4
59.04988	1.4
61.02929	2.8
67.05499	1.1
69.03429	6.4
69.86369	2.9
73.02944	1.0
79.05489	1.5
81.03412	3.5
81.07053	1.6
83.72329	0.7
85.02908	24.6
86.09715	2.2
87.04454	1.3
91.05474	3.1
93.07051	6.3
95.04978	2.0
97.02913	6.7
99.04457	1.6
105.07029	6.3
106.69955	0.8
107.08601	19.5
109.02874	3.6
109.06492	1.6
109.10174	1.5
119.08585	2.1
121.06504	1.7
123.04415	1.2
127.03923	4.6
131.08638	0.9
133.10146	19.3
135.11699	20.7
137.09589	1.3
145.04976	2.9
151.11201	1.6
159.33105	0.8
161.09628	10.7
179.10672	33.8
197.11743	100.0
198.12090	1.3
198.43567	0.8
228.13365	0.7
233.07222	0.8
241.61655	0.8
316.06122	0.8
359.17307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94824	1.5
51.99547	1.4
53.03934	5.8
55.01861	5.0
55.05264	2.2
55.05516	29.2
57.03434	7.6
57.07071	3.5
61.02932	3.4
67.05510	52.6
69.03437	25.3
69.06731	2.0
69.07074	27.8
70.06577	1.5
71.01368	2.1
71.04994	22.1
71.52689	1.8
73.02911	1.7
79.05498	29.2
81.02994	2.6
81.03427	35.8
81.07059	97.0
83.04993	9.6
83.08627	20.8
85.02911	49.7
85.06543	15.6
91.05487	35.4
93.06488	2.0
93.07052	32.4
93.89485	1.5
95.04964	5.8
95.08614	100.0
96.08965	1.5
97.02892	22.9
97.06535	25.6
97.10167	9.0
99.04460	12.7
99.08112	8.4
101.05984	2.5
105.06396	2.8
105.07038	35.5
107.04945	3.5
107.08595	17.1
109.02896	13.0
109.06533	8.8
109.10173	16.5
111.04433	2.9
111.08072	6.6
113.09643	6.9
117.07009	6.4
119.08591	44.7
121.06505	3.8
121.10167	11.3
123.08064	7.1
123.11742	3.7
125.09636	2.0
127.03922	25.7
128.06148	2.1
129.06992	2.3
129.10220	1.7
131.08580	6.2
133.06483	2.9
133.10139	26.1
135.11716	15.3
137.09596	6.6
137.13272	10.6
139.03955	1.8
143.08533	2.7
145.04953	6.6
145.06479	1.9
145.10159	1.7
147.04356	3.1
147.08025	2.1
147.11708	2.7
149.09557	2.3
149.13252	4.7
151.03951	1.5
151.07594	2.0
157.10207	1.6
159.11714	4.9
161.13271	65.2
163.03918	1.4
163.07434	2.0
173.11813	2.0
173.13196	2.0
177.12679	1.8
179.12744	2.2
179.14319	43.6
191.14388	1.8
195.13969	1.6
197.04445	2.6
197.15341	10.2
201.12651	1.7
209.15338	3.0
222.30704	1.5
225.14728	2.3
237.14813	5.7
245.01654	1.8
249.14862	1.6
251.16499	2.3
275.16193	2.2
287.16302	4.4
305.17392	10.1
305.24756	2.2
313.14233	2.7
323.18576	11.9
339.03363	1.7
341.19589	17.6
359.14883	6.5
359.20419	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05279	1.4
55.05519	19.0
57.03433	1.8
57.07062	6.5
59.04982	2.3
67.05511	28.5
69.03419	6.5
69.07073	37.5
71.04984	4.3
71.52257	1.7
73.06574	1.7
79.05493	13.8
81.03427	2.5
81.07064	100.0
81.15225	1.5
81.38767	1.6
81.85902	1.5
83.04974	3.5
83.08622	11.9
85.02919	19.0
85.06567	10.8
91.05450	5.0
93.07056	37.9
95.04983	6.1
95.08617	84.3
97.02879	3.7
97.06551	8.4
97.10177	21.0
99.04464	2.2
99.08092	4.6
99.77512	1.5
105.07011	9.6
107.08602	41.6
109.06527	3.9
109.10166	26.1
111.02692	3.0
111.08090	15.5
111.11715	11.4
116.18003	1.7
119.08570	9.5
121.10149	26.7
122.09686	3.8
123.04418	2.3
123.10830	3.3
123.11716	58.2
125.09648	1.7
127.03928	3.1
131.08569	1.5
133.10150	6.0
135.11703	17.3
137.09680	2.0
137.13248	19.8
138.63553	1.6
139.11183	15.0
141.12726	4.7
145.04980	2.9
145.10078	2.1
147.11662	5.8
149.13274	45.4
151.03854	3.1
151.11159	2.0
151.14819	1.7
153.12743	7.1
155.14357	6.4
157.12254	13.9
159.11693	2.9
161.13228	4.3
163.11258	1.7
163.14821	7.6
167.14345	1.9
169.05025	2.8
169.12251	7.9
171.13930	3.2
173.13248	2.4
175.14883	2.1
179.03368	6.4
179.14371	2.5
187.13329	15.6
189.16357	2.1
191.14304	2.0
193.16040	2.2
197.04471	24.8
203.12772	3.3
203.17976	2.2
209.15312	3.5
217.19615	1.9
223.16934	2.0
237.18457	2.0
275.23834	2.0
277.25253	5.2
287.23709	4.6
293.24823	11.3
305.24762	43.4
323.25726	10.2
335.30713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05513	19.2
55.36189	1.9
57.07065	6.2
59.05003	1.8
67.05509	23.1
69.03423	5.0
69.06734	2.3
69.07072	35.8
70.67193	1.8
70.67525	3.6
71.04989	4.0
72.08155	2.1
73.06557	1.9
79.05490	11.3
81.07060	100.0
83.08617	10.8
85.02895	2.1
85.06556	12.0
86.09686	2.5
91.05480	5.9
93.06488	2.9
93.07047	37.8
95.04967	2.0
95.08611	72.1
97.06513	7.2
97.10170	19.8
99.08094	5.2
100.43803	1.8
105.07030	7.3
107.08601	38.4
109.06539	1.8
109.10147	24.9
111.08091	20.7
111.11736	8.6
113.06069	1.9
119.08540	9.5
121.10143	27.0
123.11705	55.9
125.09581	3.6
133.10135	5.7
135.11693	13.8
135.96611	1.9
137.13257	19.0
139.11176	13.4
140.91101	2.1
141.12740	4.7
143.10747	1.8
145.10181	2.2
147.11642	3.5
149.13268	44.3
151.11208	3.3
153.12737	5.9
155.14297	7.5
157.12253	14.1
157.33617	1.6
161.13214	4.2
162.38333	1.8
163.14807	8.0
167.14211	2.7
168.91238	1.9
169.12242	7.4
171.13710	1.9
173.13200	2.2
175.14781	2.5
177.47955	2.1
187.13274	12.5
189.16310	2.9
203.12735	3.4
203.17940	2.3
249.18327	2.7
277.25180	4.1
281.12140	11.9
287.23682	4.2
293.21860	2.0
293.24698	9.9
299.13028	3.1
305.24768	40.8
323.25732	14.3
359.15421	4.6
359.19876	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.80196	0.4
55.01872	1.1
57.03434	1.2
61.02918	1.9
69.03448	3.1
69.38131	1.0
69.38541	1.9
70.06586	0.8
70.64567	0.4
71.04989	0.7
72.08150	0.8
73.02918	0.5
76.31882	0.4
79.05489	1.0
81.03434	2.0
85.02910	16.3
86.03246	1.0
86.09723	2.2
86.53301	0.4
87.04436	0.5
89.03908	2.7
91.03943	0.8
93.07037	0.4
97.02896	4.9
98.03241	0.8
99.04445	0.7
99.90192	0.4
107.04949	1.2
109.02871	1.7
111.51582	0.4
117.03378	5.0
123.04351	0.5
127.03904	4.0
128.04176	0.4
135.03410	0.7
135.04419	11.7
139.03883	0.8
139.98210	0.4
145.01770	0.8
145.02861	11.1
145.04941	4.3
163.03915	100.0
163.07581	1.6
164.04225	0.8
165.05476	3.6
170.05286	0.8
180.03729	0.9
180.08681	1.3
181.04965	45.7
191.06998	0.6
196.06865	0.4
197.04428	2.9
198.04834	4.5
198.07632	0.9
208.09764	0.8
221.11716	1.8
235.26379	0.4
275.46683	0.4
307.97101	0.4
313.94864	0.5
360.13907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.8
57.03440	1.0
59.82044	0.4
61.02910	0.9
61.56555	0.4
61.65685	0.4
69.03426	2.0
69.59382	2.9
70.06591	0.7
71.03909	0.4
72.08147	1.8
73.48553	0.5
79.05504	0.6
81.03419	0.9
83.41553	0.5
85.02908	6.2
86.09698	1.7
89.03925	3.3
97.02905	1.2
103.05524	0.8
107.04953	1.6
109.02969	0.5
117.03390	6.6
127.03925	1.3
131.04947	2.1
133.77509	0.4
135.04427	13.2
139.03941	0.8
145.02863	12.0
145.04950	1.6
148.22578	0.5
162.07736	0.7
163.03918	100.0
164.04262	0.7
180.08682	1.4
181.04971	43.6
184.21649	0.5
198.04875	0.7
198.07649	1.1
243.96684	0.4
286.67233	0.5
291.05270	0.6
337.05948	1.9
355.07108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
56.05022	0.9
57.03424	2.8
61.02918	2.2
62.74030	0.9
67.05500	1.9
68.05022	1.0
68.99781	2.1
69.03426	5.0
70.06605	5.1
70.25061	3.0
72.08158	8.9
73.02946	1.1
79.05470	0.9
81.03433	1.5
81.07061	2.2
83.01326	1.7
84.04494	2.7
84.08125	2.2
85.02908	16.5
86.03241	4.5
86.09716	17.8
87.04467	1.2
91.05480	2.1
93.07081	1.1
95.04956	4.3
95.08633	1.4
97.02891	4.4
98.03206	1.3
98.09701	1.2
102.05499	1.1
103.05487	1.5
105.07009	1.9
107.04944	3.1
107.08612	1.8
109.02892	2.0
114.05553	1.5
115.05463	1.2
116.07095	1.4
117.03373	1.1
117.07023	3.3
118.08650	1.2
119.04993	4.6
121.06509	3.2
123.04435	34.9
124.04779	1.4
127.03920	5.6
129.07025	1.1
131.04932	5.2
131.60664	0.9
132.10193	1.4
135.04448	2.4
135.08026	3.9
136.07578	1.7
137.06029	1.3
139.03827	1.0
142.64441	0.9
145.04964	4.7
145.06479	2.6
147.03270	1.0
147.04425	16.2
147.08124	0.9
148.06097	1.3
149.05965	3.3
151.03893	4.0
152.04242	2.1
157.06464	1.1
161.05980	2.9
163.03940	5.1
163.06241	1.2
163.07558	19.3
165.05524	7.9
169.05063	1.3
170.05354	2.0
173.05962	8.3
175.07588	1.0
177.05458	1.5
179.03439	1.9
179.07033	4.1
180.03731	3.7
183.11314	1.2
185.06041	1.3
185.16525	4.5
188.07111	1.4
188.41937	0.8
190.08659	16.5
191.07040	78.9
192.07242	0.9
197.04498	13.2
198.04790	16.1
199.18117	1.6
201.12289	1.2
203.07031	2.9
208.09700	100.0
213.15977	1.9
220.09856	1.5
221.08049	1.0
227.08150	1.0
325.10696	5.4
342.13425	3.7
343.11768	8.9
360.14398	63.4
361.14554	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
53.16059	0.5
55.01883	0.6
55.05501	0.7
56.05015	2.5
57.03419	0.6
57.05797	0.6
63.02118	0.5
66.01537	0.5
67.05505	0.7
68.33241	0.5
69.03429	1.6
69.07076	7.1
70.06590	2.4
71.04977	0.9
72.08173	1.4
74.06083	10.0
81.03445	0.6
81.07066	1.3
84.04519	0.6
84.08138	2.2
84.41053	0.5
85.02908	5.2
86.09711	100.0
88.03991	0.5
91.05476	0.6
93.07038	0.7
97.02903	1.5
98.06074	1.2
104.07131	2.8
107.08583	1.0
109.10161	0.6
113.09724	0.7
115.47034	0.6
116.07107	1.3
119.66115	0.5
121.10146	0.7
126.05516	3.7
127.03975	3.2
128.82256	0.5
131.08588	0.7
144.06619	0.8
145.04959	2.8
145.10126	1.0
150.12804	0.6
153.01830	2.9
156.10175	0.7
159.09123	0.7
163.11226	1.2
193.08572	0.9
195.11301	1.5
196.10648	0.6
198.12154	0.6
199.13298	1.8
201.12357	1.2
211.14507	1.2
217.15474	11.3
228.13528	0.9
239.13911	11.1
257.15076	1.8
298.17795	0.6
319.04858	0.7
343.04761	0.6
360.05258	2.6
360.21906	0.7
361.05518	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37228	2.8
55.01877	5.7
55.05514	21.7
57.70552	2.8
61.02914	3.8
67.05506	63.0
69.03410	7.5
69.07073	25.9
69.86048	16.0
71.04996	100.0
77.39547	3.1
79.05494	53.0
81.04626	3.0
81.07054	46.7
83.04990	3.3
83.08620	17.0
85.02893	10.5
85.06580	7.8
87.08122	3.9
91.05486	20.3
93.07048	55.7
95.04929	4.4
95.08601	28.0
97.02910	4.1
97.06516	8.5
97.10160	19.0
101.10396	3.0
105.07030	21.6
107.04948	4.9
107.08596	42.2
109.10157	39.8
111.08119	5.3
117.07032	9.0
119.08605	19.3
121.10146	53.0
123.08067	3.4
123.11755	3.6
125.09659	18.2
127.03908	8.2
131.08572	10.2
133.10138	11.7
135.11688	13.8
143.08615	4.2
145.10124	11.3
147.11678	9.5
149.09628	12.4
149.13284	7.0
153.12746	26.2
155.10638	14.1
159.11700	18.3
173.11757	59.2
173.13185	4.4
177.12793	12.2
189.11223	23.9
191.83975	3.3
195.13780	13.2
209.15407	6.7
212.24823	3.0
213.14844	5.8
227.16426	66.2
239.17940	3.9
257.18939	7.4
275.20065	55.5
293.20996	3.7
307.22635	7.6
320.20605	3.7
340.15421	4.0
360.28958	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43871	4.1
55.05512	37.1
59.04994	5.7
59.72706	4.6
67.05508	79.0
69.03433	6.2
69.07066	39.7
71.05000	85.4
71.52409	6.9
72.24661	4.9
79.05495	64.8
81.07062	45.9
83.04971	7.7
83.08622	20.4
85.02905	14.6
87.08126	7.0
91.05481	24.1
93.07047	77.8
95.08611	34.7
97.06537	14.6
97.10182	28.7
102.90449	4.7
105.07065	24.6
107.08611	60.3
109.10168	58.3
117.06994	7.7
119.08583	17.2
121.10144	72.9
123.11729	8.0
125.09668	17.9
127.03899	6.0
131.08600	6.9
133.10139	14.0
135.08130	5.4
145.10100	9.0
147.11600	7.6
149.09593	11.3
153.12740	59.1
155.10686	16.0
161.13234	6.4
168.42601	4.5
173.01109	5.0
173.11755	100.0
189.11223	27.6
199.11530	5.1
240.35674	5.4
257.18906	10.0
272.19925	6.9
275.20044	53.5
293.21091	6.3
338.34943	4.9
347.17761	5.6
360.25302	11.3
360.28934	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	361.1129
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03932	1.8
55.01874	1.3
55.05507	1.1
57.03440	3.8
61.02932	3.8
64.97989	0.5
67.05470	0.7
69.03426	6.3
69.17901	4.3
69.18318	1.8
70.53073	0.7
71.04987	0.8
73.02902	1.1
79.05482	2.2
81.03406	2.7
81.07058	0.7
84.08228	0.6
85.02911	22.6
86.09702	0.9
89.13859	0.6
91.03968	1.4
93.03432	1.3
97.02895	7.4
98.20715	1.4
99.04450	2.1
100.92196	0.6
105.69652	0.6
107.04965	3.2
109.02876	1.6
111.04435	1.3
124.57036	0.7
127.03927	4.6
135.04408	5.7
139.03879	3.7
145.04962	4.5
150.03101	1.8
152.75829	0.6
153.05489	5.1
163.03914	20.9
181.04962	15.5
181.08527	1.0
199.06027	100.0
200.06296	0.8
207.25389	0.7
213.10139	1.2
255.11293	1.9
273.12387	2.4
283.10706	1.4
301.11768	0.7
333.14618	0.8
342.72278	0.9
351.73001	1.7
352.22647	1.9
360.73706	10.3
361.13992	1.8
361.23007	8.9
361.73077	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1393
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
57.34434	1.2
61.49708	1.5
64.25772	1.2
69.03429	2.0
70.06590	2.6
71.51624	1.4
72.54102	1.2
83.90823	1.4
84.08181	1.5
85.02907	1.6
86.09698	3.0
92.98790	1.4
107.62626	1.5
123.04436	4.3
127.37072	1.3
130.83824	1.2
155.08517	2.0
165.05467	4.0
165.07016	7.2
169.06453	1.9
178.07771	2.2
179.08553	18.3
181.01321	2.0
181.06538	2.6
181.09760	5.7
183.08032	27.6
189.07016	3.6
191.08618	2.4
193.06432	4.4
194.07335	3.8
195.07968	2.5
197.05898	1.8
199.10771	5.9
207.08052	61.3
209.09653	5.4
210.09174	8.3
211.07581	16.6
217.06479	6.3
219.08058	2.3
221.05956	10.9
222.06633	1.7
234.06671	1.7
234.09094	2.5
235.07550	100.0
236.10733	2.1
237.09065	12.5
238.08420	3.2
239.04582	2.2
239.07031	60.3
252.10197	70.6
253.08644	3.3
262.08557	2.1
263.06961	9.3
267.06436	1.7
280.09735	11.4
281.08090	48.9
284.09207	8.1
297.12326	41.9
298.10748	65.9
315.13397	13.4
326.10260	11.7
343.12909	75.1
344.11343	6.1
361.13925	37.5
370.86588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19886	0.4
53.03936	1.1
54.24327	0.5
55.01866	0.6
56.05031	0.6
56.96575	0.8
57.03426	2.2
60.04510	0.5
61.02935	3.6
67.01884	0.5
69.03434	10.1
70.06577	0.8
71.04998	1.0
71.48438	0.6
73.02912	1.5
74.06077	2.0
75.38380	0.4
79.05495	0.6
81.03422	3.9
84.04500	1.9
85.02910	24.7
86.09706	2.0
87.04453	1.2
89.03907	1.4
91.03940	1.2
91.05438	0.7
97.02903	7.0
98.97586	2.7
99.04443	1.6
101.07130	0.6
102.05562	0.6
104.83161	0.5
108.04501	0.9
109.02885	3.3
110.97594	0.5
116.98615	1.2
117.03403	0.8
123.04476	0.8
126.05500	1.9
127.03922	5.7
128.98561	0.7
132.10181	0.8
135.04405	2.0
136.03958	2.8
137.02354	2.8
140.07091	0.8
145.02800	1.4
145.04987	4.7
147.00768	1.2
147.04427	0.9
154.05014	3.0
155.03395	3.0
158.04503	1.6
158.99716	0.6
162.07637	0.7
163.03918	11.2
164.03355	3.8
165.01854	13.5
165.09209	0.6
168.06561	0.5
177.00684	0.4
180.02956	0.8
182.04504	23.9
183.02899	5.0
199.04689	0.6
200.05551	100.0
219.01814	1.6
224.05481	0.6
226.04698	0.5
231.09712	0.6
237.00705	0.7
237.02864	1.2
242.06584	0.8
255.01736	1.5
269.03189	0.6
273.02908	1.3
362.10764	0.7
381.04984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51140	0.8
52.92474	1.0
55.01869	1.7
56.05032	1.8
58.99575	2.0
60.04512	4.7
62.76272	1.2
67.66335	1.0
68.05008	4.2
69.03421	1.4
69.05366	1.4
70.06606	14.2
70.46101	4.2
70.99290	1.1
72.08147	3.4
72.69256	1.0
74.06063	1.4
76.02209	3.4
78.76950	1.0
79.05486	1.4
81.07047	2.2
82.35636	1.0
84.04513	5.5
84.08120	2.4
85.02901	2.6
86.09719	9.8
88.70782	1.2
91.05469	3.8
93.07031	3.1
97.02897	2.0
99.04430	1.2
104.05327	1.8
105.07027	2.1
107.04950	1.7
107.08603	1.8
109.06499	1.6
109.10189	1.1
113.04219	1.2
114.05503	4.7
115.05862	2.2
116.01638	1.2
116.07107	3.1
119.08562	4.5
120.08092	1.6
121.06490	3.4
121.10136	1.7
122.02740	14.5
128.07024	2.2
130.04977	1.9
130.06831	1.5
130.08614	1.9
131.08582	3.4
133.10210	1.2
134.08092	3.5
135.04417	2.5
136.07610	1.7
137.05888	1.1
144.06541	2.4
149.05978	4.2
149.09596	1.4
153.06940	1.4
155.08557	1.7
159.08087	2.7
161.09583	1.5
162.02191	1.2
162.07568	2.3
165.06964	6.7
165.09132	2.3
167.08582	1.5
169.06427	2.4
173.12831	2.4
177.05507	2.2
177.09120	4.3
178.07765	3.4
179.08540	10.8
181.06450	2.0
183.08057	17.5
183.09621	0.8
184.09720	3.0
185.92276	1.2
187.07556	2.0
189.07010	3.8
190.07874	1.1
191.08615	1.9
193.06450	3.3
193.07838	1.6
194.07201	2.5
195.08124	2.0
195.10205	1.7
197.06094	1.9
197.09692	1.5
201.12315	3.4
203.09224	1.3
205.08542	3.0
206.07304	1.5
207.08064	67.2
209.09642	2.2
210.06882	2.0
210.10423	1.1
211.07582	16.2
213.12276	1.0
217.06548	7.1
218.07196	2.3
221.05978	9.0
223.07564	9.6
223.13272	4.4
225.09146	3.4
231.13405	5.6
233.09508	1.2
233.90392	1.0
234.06642	1.9
235.07562	100.0
237.09084	3.5
239.07059	35.3
253.08635	88.3
257.08038	3.2
259.11157	2.2
263.06989	5.2
270.11166	1.9
281.08102	22.6
287.16803	1.3
298.10880	1.9
299.05869	2.3
299.09189	36.5
302.47974	1.1
316.11813	29.9
344.11270	2.8
344.16086	1.2
345.09637	11.0
354.54752	1.1
362.12299	83.2
363.12582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29447	0.4
53.03934	1.2
55.01862	0.9
57.03426	1.4
59.05001	0.3
61.02925	3.0
67.01867	0.9
69.03436	6.8
69.41051	3.0
71.04976	0.9
73.02911	1.2
74.52123	0.5
81.03435	4.0
83.01331	0.4
85.02912	21.0
87.04480	0.5
91.03957	1.8
91.50117	0.3
97.02895	6.7
99.04458	1.3
109.02892	3.0
113.20853	0.4
115.03942	0.4
119.01335	0.9
127.03929	7.2
137.02339	3.5
140.93268	0.4
145.04961	4.1
147.00757	2.9
150.01854	0.4
155.03403	4.9
165.01846	11.3
183.02904	21.5
198.17055	0.4
201.03955	100.0
202.04312	0.5
241.06950	0.4
275.08997	0.4
323.69812	0.4
340.62650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.46816	0.5
55.01872	1.0
57.03424	2.0
57.03671	0.4
61.02931	3.7
67.01852	0.7
68.99778	0.9
69.03085	0.6
69.03432	7.5
70.06576	1.3
71.04974	0.9
72.93744	0.5
73.02909	1.0
76.94652	0.5
80.26685	0.5
81.03407	3.8
83.06094	0.8
84.04501	1.1
84.04993	0.4
84.08150	0.9
85.02910	23.7
86.09692	1.4
87.04462	0.9
91.03931	1.3
91.05504	0.9
93.31572	0.5
97.02898	8.6
98.97546	0.7
99.04457	1.9
107.04951	0.8
109.02885	4.2
109.10104	0.5
109.80236	0.4
110.07178	1.0
116.88566	0.4
119.01315	0.8
119.07348	1.2
120.07637	0.7
123.04436	0.9
127.03932	6.1
137.02341	4.1
145.04962	4.9
147.00815	2.5
147.04404	0.7
154.09842	0.5
155.03384	6.5
158.16962	0.5
164.07414	0.6
165.01833	9.4
165.09102	4.5
166.09485	6.1
183.02893	21.2
199.09180	0.5
201.03946	100.0
202.04248	0.8
211.07582	0.7
253.08411	0.7
254.08893	0.8
258.08362	0.5
282.08057	0.5
300.09564	0.8
317.12140	2.9
322.63559	0.4
346.09976	1.2
363.12531	1.3
363.16278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1053
Annotation	Flustramine F
Peak:m/z	Relative Intensity
51.19230	5.9
67.00163	5.8
70.64399	16.4
207.96043	5.9
363.10480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.07066	1.3
64.52574	1.2
67.01862	3.0
67.05502	5.6
69.07060	4.6
71.52492	1.6
76.70686	1.2
79.05505	4.3
79.46189	1.5
81.03422	1.4
81.07061	9.3
83.01360	1.5
91.05490	1.6
93.07041	2.4
95.04908	1.8
95.08618	8.0
97.06523	1.2
105.03458	1.4
105.07028	1.5
107.08589	1.7
109.06544	1.8
109.10141	2.4
119.08573	1.9
123.04440	5.2
123.05255	1.3
133.02887	1.8
139.02325	1.3
139.03932	5.0
145.06531	1.5
147.04387	1.7
149.02341	1.7
149.13332	1.6
151.03903	7.7
155.03366	3.2
160.03947	10.8
161.13338	2.4
163.03871	7.7
167.03415	3.2
169.04932	14.6
177.05511	2.5
179.03407	22.8
179.14412	2.7
181.04974	34.5
183.02928	1.3
183.08075	2.8
185.04489	3.8
187.03874	1.5
187.07539	2.1
193.05014	2.0
195.03012	2.0
195.06430	2.1
197.04459	65.0
203.03415	2.6
205.05023	5.7
205.08621	2.0
209.04478	4.0
211.05928	1.9
211.07747	2.0
213.04111	1.6
219.10063	2.1
221.04349	6.8
223.06062	8.1
223.09720	4.8
229.08681	1.4
246.00269	1.3
247.09781	3.6
251.09271	1.9
257.08142	3.3
264.29129	1.3
265.10724	100.0
275.09213	14.9
279.12189	1.4
293.10223	14.5
327.15982	2.6
345.16949	18.3
363.13565	3.2
363.17892	15.2
363.21930	2.5
363.33209	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
55.61778	0.3
57.03399	0.4
67.05509	0.6
69.03412	0.4
69.07088	0.5
69.48388	0.3
75.22382	0.4
79.05497	0.5
81.07056	0.7
87.04464	0.4
91.05470	1.5
97.10130	0.5
107.08631	0.6
115.05465	1.2
117.07033	1.6
118.06554	29.0
119.08600	0.7
125.09606	0.6
130.06523	0.5
132.08102	2.9
133.08882	0.7
134.09634	0.7
135.08080	0.4
137.05952	0.4
142.06567	2.2
143.07295	1.7
144.08096	11.3
146.06018	45.8
146.09662	1.2
158.07216	0.4
159.08076	0.5
160.07607	0.7
170.06010	3.8
176.14359	100.0
177.14709	1.7
179.19472	0.4
188.07079	30.9
216.13904	1.2
228.99359	0.7
234.14929	2.0
363.20691	32.0
363.27487	1.4
364.21011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03944	1.9
55.05503	1.0
58.25092	0.5
58.99592	0.7
69.03422	1.5
69.68911	2.0
69.69316	1.1
79.05490	3.4
81.07043	2.2
84.04506	0.9
85.02906	1.4
86.09726	0.7
87.02688	0.8
90.15256	0.5
91.05483	7.7
93.07048	100.0
95.04987	2.1
105.04535	1.3
105.07009	3.0
107.08601	2.0
110.29466	0.6
111.54337	0.5
119.01684	0.8
121.10152	42.5
123.08148	0.8
123.11671	0.6
149.09627	31.3
167.10684	30.2
167.12128	1.3
168.11153	0.7
207.50853	0.5
217.10893	1.1
283.72079	0.5
358.35211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74578	8.9
51.58739	12.9
56.96568	19.3
57.15901	9.2
60.04527	56.9
67.05511	13.2
70.06590	14.5
70.91537	24.0
72.08150	16.9
76.08981	10.4
78.98204	9.7
81.07053	15.9
84.08145	28.4
85.02900	11.2
85.30125	11.3
86.09684	31.8
91.05492	15.6
93.07063	10.1
96.65316	10.7
98.97570	31.3
107.08580	22.7
110.97565	24.0
120.08022	11.5
129.10242	16.4
163.33151	10.0
167.10663	12.1
176.11188	11.5
196.06032	15.0
203.01100	11.6
205.45518	10.1
219.01718	33.0
237.02853	30.4
294.87119	12.2
329.25098	14.5
333.11066	11.0
346.25702	27.2
347.26071	18.3
365.06177	100.0
365.15839	36.1
383.06326	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	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	2.2
69.03444	1.7
70.06599	1.6
71.51718	1.0
82.99864	0.8
84.04495	1.0
84.08163	1.0
85.02902	4.0
97.02917	2.4
101.00884	5.0
102.19057	0.9
113.00897	0.9
115.02428	1.3
119.01944	5.9
122.07165	2.4
127.02415	1.0
127.03954	1.4
127.59755	0.7
130.06526	10.3
131.01926	4.5
131.05515	1.1
132.04483	2.7
132.95799	1.2
133.03438	0.9
135.04395	1.1
136.06192	1.0
138.02744	0.7
139.03900	2.1
140.04260	2.2
143.01904	6.5
144.04813	1.5
145.03534	4.1
149.06659	1.1
155.01884	6.6
157.03453	2.0
157.07655	3.4
158.06023	1.2
158.97426	2.5
161.02974	7.7
163.03972	2.4
167.01935	1.5
169.03511	0.7
171.05087	1.1
173.02965	8.1
173.06667	2.8
175.00581	1.1
175.04506	1.0
175.08647	1.7
176.08189	1.1
182.23958	0.9
185.02927	7.8
185.04279	20.4
185.06758	3.2
187.04680	1.6
191.07651	2.2
194.48975	0.8
197.03116	2.2
199.04543	1.1
201.06058	1.3
203.05354	36.9
203.08041	3.4
204.07776	1.1
215.04068	2.2
216.97977	1.7
221.02989	5.2
221.05170	3.5
222.08794	3.1
233.08949	0.9
234.99062	9.1
236.10582	1.4
239.03992	1.6
243.07710	2.9
245.05098	19.7
246.05350	0.8
255.07716	0.9
257.05127	1.6
260.10474	1.1
263.06241	3.8
275.02203	3.3
275.06165	2.3
275.09830	5.7
293.07654	1.2
293.10818	11.0
319.04849	3.1
321.02774	1.2
326.24860	0.9
365.10626	100.0
366.10919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62988	0.5
55.01859	1.2
56.96551	0.7
57.03428	0.7
65.03934	0.6
67.05479	0.7
69.03416	1.2
70.05507	0.6
70.06583	0.7
71.52385	1.1
72.08144	1.2
79.05521	0.7
81.07037	1.0
84.04494	0.7
84.08142	1.1
85.02900	1.3
86.09686	0.9
89.49132	0.7
91.05491	1.1
97.02884	1.4
98.97594	1.0
105.07040	1.4
107.08607	1.1
109.06441	0.6
116.26249	0.6
120.08108	1.2
122.06012	2.0
127.03873	0.6
133.10094	0.6
136.07536	0.7
138.05536	2.0
139.03947	1.2
140.07089	1.2
144.08092	0.7
146.05978	0.6
146.09601	0.7
147.09274	0.6
148.03992	1.4
148.07578	4.5
150.05528	0.6
156.06535	0.6
158.05952	0.9
160.07516	1.0
161.07138	1.1
166.05017	3.8
168.06575	2.1
168.07994	0.8
170.09647	1.0
171.09248	1.5
171.54581	0.7
172.07600	2.4
173.10741	1.1
174.09151	2.1
175.08713	4.4
176.07095	7.8
176.09442	1.1
178.08626	0.9
185.04456	0.9
185.07114	1.5
186.09149	1.5
189.10252	2.5
190.08678	2.1
194.08177	1.1
196.07620	1.0
198.07722	1.5
199.08667	6.6
200.07179	3.4
200.09103	0.7
202.08672	2.2
203.08163	14.6
204.06612	1.2
213.06602	0.7
213.10263	4.2
214.08757	1.5
216.10265	1.8
217.06396	0.9
217.09792	14.5
218.08206	1.2
218.10249	0.7
224.07179	1.0
226.08968	0.7
227.08188	11.7
228.06572	3.4
228.08545	0.7
229.09674	1.4
231.07527	0.9
231.11263	1.2
235.10814	2.7
241.09750	6.1
242.08148	4.1
242.73140	0.6
244.09889	0.9
245.09256	40.1
246.07570	1.2
247.10793	2.7
250.07172	1.1
259.10773	11.1
260.09262	1.1
263.10294	23.1
269.09158	3.3
271.10672	0.7
273.08737	3.5
277.11841	1.7
287.10284	19.4
289.11798	1.0
291.09744	5.4
297.08731	0.8
305.11331	69.7
306.11765	1.2
315.09808	2.8
323.12390	21.1
333.10840	14.2
347.12329	1.2
365.13455	100.0
366.13812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
54.74215	0.7
55.01875	5.2
55.05515	26.2
56.96560	1.5
57.03446	10.0
59.05010	1.2
61.02927	1.1
65.03949	1.4
67.05508	28.3
69.03099	0.9
69.03442	12.9
69.07072	44.7
69.49896	3.6
69.50303	1.8
71.04991	2.7
73.02924	1.0
79.05502	24.1
81.03430	6.2
81.07063	22.2
83.04993	5.1
83.08624	8.9
85.00362	0.8
85.02908	1.1
85.06556	0.9
87.66619	0.7
88.53664	0.7
91.05483	13.0
93.07043	17.0
94.04181	0.9
95.01352	1.1
95.04975	7.8
95.08044	1.3
95.08608	11.8
97.02903	15.6
97.06542	3.2
97.10181	15.9
98.97546	1.2
101.74356	1.0
105.03440	0.8
105.07050	10.6
106.94937	0.8
107.04970	8.0
107.08592	15.2
109.06527	3.4
109.10168	9.4
111.08100	2.1
115.05484	1.2
117.07007	7.4
119.04919	1.0
119.08595	13.9
121.06499	3.4
121.10131	4.7
123.08100	4.2
123.11700	0.8
125.09637	11.6
126.40322	0.8
126.90562	1.0
129.07028	2.2
131.08569	5.5
133.06487	1.9
133.10138	6.2
135.08089	4.4
135.11693	3.2
136.65286	0.8
137.09637	4.2
143.08598	2.7
143.10739	0.9
145.10114	4.6
147.08098	5.3
147.11690	2.8
149.09645	1.9
149.13261	2.3
153.09105	1.8
157.10161	2.7
159.11688	2.7
161.09636	3.0
163.11259	1.6
165.09099	1.2
171.10222	2.0
171.11662	1.6
173.11781	1.1
175.11230	1.4
177.12820	1.5
185.13350	1.2
189.11252	7.9
195.13823	2.1
201.12849	0.9
205.12213	3.6
223.13303	30.7
227.12770	1.7
227.17909	1.5
231.08957	0.9
245.18977	1.6
249.14745	1.5
255.17479	2.1
267.09106	1.5
273.18494	15.2
284.12766	4.5
285.10086	4.3
291.19559	100.0
292.19946	1.5
347.22076	1.1
365.15704	2.3
365.23248	57.4
366.23511	0.9
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
53.03949	1.7
55.01876	7.2
55.05270	1.7
55.05515	23.4
56.96556	1.6
57.03437	10.6
61.02923	1.6
66.39678	1.0
67.05510	32.3
67.23323	1.0
69.03149	1.0
69.03439	11.3
69.07075	41.9
69.22024	9.8
71.04997	2.8
79.05072	2.0
79.05502	26.6
81.03419	7.6
81.06590	1.5
81.07063	23.0
83.04990	4.9
83.08612	10.5
84.56652	0.9
85.02913	2.5
85.06525	0.9
91.03966	1.8
91.05479	14.5
93.07053	19.3
95.04977	8.1
95.08620	14.6
97.02901	16.4
97.06551	4.8
97.10178	16.2
105.07037	14.2
107.04958	7.0
107.08607	14.4
109.02864	1.1
109.06513	2.9
109.10160	10.6
111.04411	1.6
111.08083	2.8
117.07036	6.7
119.04939	1.3
119.08580	13.7
121.06488	2.9
121.10139	6.7
123.08058	4.1
123.11707	1.0
125.09639	10.5
129.06993	3.0
130.01218	1.0
131.08571	8.3
133.06505	2.2
133.10129	7.6
135.08063	4.1
135.11665	3.8
137.09634	3.7
143.08578	3.5
145.06540	2.4
145.10109	7.6
147.08028	4.6
147.11697	2.8
149.09660	2.3
149.13235	3.0
151.11180	3.0
153.12766	1.1
157.10127	2.5
159.11661	3.0
161.09657	4.8
161.13167	1.2
163.11194	2.1
165.09081	1.5
171.11682	2.9
175.11206	3.3
183.03362	1.2
189.11223	7.1
195.13818	1.9
203.10947	2.7
205.12271	2.9
223.13306	29.2
227.12849	3.1
229.05431	1.1
241.07657	1.2
245.19032	2.1
262.29099	1.3
263.20020	1.2
273.18521	17.0
284.13666	3.7
284.63773	1.2
285.10178	2.6
291.19559	100.0
347.22223	2.1
359.94717	1.0
365.23233	53.0
376.76974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03941	5.2
55.01860	6.7
55.05515	11.8
56.03200	2.1
56.96577	5.3
57.03451	11.4
61.02922	4.0
64.91322	2.0
67.05183	2.9
67.05514	39.5
69.03433	6.2
69.07072	12.6
70.77929	5.6
71.04985	7.2
73.02927	2.3
79.05503	28.8
81.03409	8.7
81.07060	38.9
83.04984	9.1
83.08631	5.7
85.02896	5.5
85.06548	4.3
91.03929	3.6
91.05490	33.2
93.07051	31.1
95.04961	10.0
95.08607	13.9
97.02892	6.0
97.06523	5.2
97.10156	3.0
103.03944	2.9
105.07043	30.7
107.04958	8.0
107.08611	23.3
109.06547	6.7
109.10156	20.0
111.08091	4.0
117.07008	7.7
119.08585	9.3
121.06538	4.6
121.10155	9.3
123.08070	3.8
123.11712	4.0
128.54048	2.2
129.07018	4.3
131.00134	4.3
131.08580	10.3
133.06494	6.5
133.10133	32.7
135.08060	6.2
135.11697	4.7
137.09645	3.4
139.07611	3.1
143.08571	4.1
145.10107	7.5
147.08025	3.7
147.11694	4.8
149.01215	2.8
149.09607	8.3
149.13203	2.4
151.11205	18.9
155.29721	2.2
159.11673	4.5
161.09604	8.4
163.11183	2.5
171.11668	2.4
175.11293	2.9
177.09126	2.9
189.12820	2.8
193.12265	2.5
215.12877	2.3
243.08844	2.7
245.19061	7.2
253.14357	23.1
255.08905	2.5
255.17389	2.8
263.20178	4.7
264.81448	2.3
267.09036	5.6
269.10712	7.5
273.18585	15.9
284.12863	10.0
285.10129	8.0
287.11429	2.1
291.19592	17.0
340.15701	2.7
365.15408	7.7
365.23087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03946	4.8
55.01859	2.9
55.05511	8.7
57.03448	2.7
57.07067	2.3
67.05518	15.9
69.03432	5.7
69.07065	9.4
70.34069	2.3
70.34409	8.1
77.33166	2.2
79.05506	16.6
81.07070	22.0
83.04968	3.9
83.08635	5.6
85.06543	5.1
91.05502	26.3
93.07055	31.0
95.04983	24.3
95.08608	15.8
96.72099	2.4
97.06535	5.6
105.07048	39.8
107.08612	25.0
109.06529	7.2
109.10181	11.9
115.05475	3.2
117.07024	11.5
119.08595	40.0
121.10172	25.1
123.08052	6.3
123.11692	4.2
128.06255	4.8
129.07031	13.9
130.07765	4.9
131.08586	32.5
133.10158	17.7
135.08089	7.6
135.11720	5.4
141.07022	4.0
142.07809	14.6
143.08551	25.4
144.09369	6.5
145.06490	3.2
145.10135	31.0
146.07292	2.4
147.08046	6.5
147.11716	13.4
149.09651	11.1
149.13319	5.3
151.07637	3.6
153.06976	4.5
155.08560	12.1
156.09352	7.3
157.10144	30.4
158.10899	4.0
159.08098	4.0
159.11739	19.1
161.09644	10.0
161.13290	7.0
165.07007	5.1
167.08633	8.0
168.09366	6.4
169.10112	14.5
170.10915	7.3
171.11716	14.7
172.12483	4.1
173.09615	6.3
173.13274	35.9
175.11230	7.1
179.08580	7.0
180.09372	4.8
181.10092	14.5
182.10851	7.6
183.11694	22.8
184.07359	3.1
184.12471	3.2
185.13287	10.2
186.10416	2.3
187.11188	4.8
187.14859	3.5
188.47786	2.2
189.12819	4.9
191.14310	25.0
192.09331	3.8
193.10100	14.8
194.10912	8.0
195.11732	16.8
196.12488	5.3
197.13229	11.1
198.13994	3.8
199.07259	2.4
199.11195	3.8
199.14818	7.1
201.12737	12.6
203.14276	3.7
206.10876	3.9
207.11728	14.4
208.12512	6.8
209.13280	14.8
210.14091	3.6
211.11348	6.2
211.14844	10.5
213.12866	2.7
213.16402	2.4
216.15134	5.5
217.10156	2.8
217.15842	3.5
219.11646	3.7
221.13319	14.4
222.14014	3.5
223.14847	9.5
224.15569	3.3
225.12825	4.9
225.16441	4.8
227.14360	3.8
231.11784	3.6
233.13197	7.0
234.14018	4.8
235.14847	8.2
237.16412	10.2
239.14374	3.5
239.17981	3.0
245.13261	4.1
247.14832	4.4
248.15608	4.5
249.16403	8.9
250.16736	2.2
251.17955	5.6
253.16035	4.0
259.14886	2.5
261.16483	5.2
263.14325	2.6
263.17960	11.0
264.18741	2.7
265.15958	4.8
267.17526	8.9
269.18900	3.4
281.18970	5.6
289.19540	2.7
291.17218	4.1
297.18680	3.7
307.20581	3.3
309.18494	3.5
329.22806	2.8
337.25171	3.6
347.23743	29.6
348.23972	2.3
365.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01881	2.3
55.05518	14.1
57.03442	2.8
57.07069	6.1
65.03954	2.8
67.05515	19.0
69.03427	7.5
69.07076	15.2
71.04971	2.3
71.53024	2.0
77.03939	2.5
79.01917	1.8
79.05498	15.7
79.41985	1.8
81.07066	25.0
83.04977	5.1
83.08620	7.2
85.06544	4.7
91.05492	25.0
93.07044	26.4
95.04977	34.6
95.08617	18.0
97.02866	3.2
97.06544	3.9
105.07036	37.8
106.05006	2.5
107.08603	24.7
109.06523	7.3
109.10159	15.8
111.08141	1.9
115.05485	3.2
116.06201	2.4
117.07029	11.2
119.08591	33.3
121.06528	4.9
121.10156	26.6
123.08078	5.1
123.11720	2.9
125.09630	2.2
125.81470	1.8
128.06238	7.2
129.07031	9.2
130.07838	2.3
131.08583	21.2
133.06494	2.6
133.10143	16.4
133.44991	1.8
135.08064	9.4
135.11697	4.1
137.09624	2.5
139.11154	3.7
141.06993	3.4
142.07770	10.0
143.08591	23.8
144.09369	2.4
145.10141	25.4
147.08061	15.3
147.11694	8.9
149.09618	4.6
149.13162	2.2
153.07059	4.0
154.07785	2.8
155.08572	12.7
156.09383	12.3
157.10158	27.8
158.07257	2.0
158.10931	4.9
159.08151	2.3
159.11751	12.9
161.09631	7.6
161.13261	3.5
165.07025	6.6
166.07854	4.1
167.08578	8.3
167.10732	2.8
168.09390	3.8
169.10179	19.9
170.10941	4.9
171.11696	21.0
173.09674	4.8
173.13239	15.9
175.11182	3.8
175.14812	3.5
178.07855	2.0
179.08582	7.9
180.09375	5.4
181.10197	11.9
182.10970	8.1
183.11703	21.7
184.07466	4.8
184.12454	4.6
185.09662	2.3
185.13306	8.6
187.11241	3.3
187.14812	2.7
191.08594	2.7
191.14287	3.3
192.09329	6.2
193.10156	12.2
194.10960	9.2
195.11691	18.4
196.12483	5.2
197.13240	14.3
199.11153	5.5
199.14877	8.0
201.12787	4.7
203.14360	2.3
205.10114	3.7
206.10988	4.7
207.11723	21.6
208.12498	7.9
209.13281	16.7
210.10371	2.5
210.13965	3.7
211.11273	2.5
211.14867	7.5
213.12735	4.3
216.09427	3.0
216.15215	2.9
217.10202	2.4
217.15952	4.5
218.10934	4.5
219.11739	5.1
220.12555	5.3
221.13280	15.4
221.15253	3.3
222.14055	5.7
223.11330	4.1
223.14891	14.3
224.15619	2.2
225.12778	7.2
225.16338	4.7
227.14333	3.4
229.10236	3.1
230.10812	2.7
231.11766	5.2
232.12549	3.9
233.09755	2.1
233.13341	9.7
233.15269	2.2
234.14140	4.9
235.14891	10.8
236.15689	2.6
237.12921	3.5
237.16515	5.4
238.17415	2.7
239.14355	2.7
243.11823	4.8
247.14876	7.7
248.15758	3.5
249.16527	10.4
250.17195	3.3
251.14317	2.8
251.17966	4.9
253.15796	3.6
255.17461	4.1
256.18365	1.9
258.14096	5.2
259.14893	5.7
261.12534	3.0
261.16580	3.3
263.14359	3.5
263.18018	9.7
264.18781	2.3
265.15970	6.6
265.19553	2.7
267.17551	7.3
269.19003	5.0
273.16400	6.6
273.18869	2.9
277.15988	2.3
277.19617	2.1
281.18979	6.0
287.17789	1.8
289.19595	3.2
291.17416	6.6
291.19714	7.0
295.20535	2.0
306.19644	2.0
307.20477	1.9
309.18524	3.7
319.24207	3.9
329.22812	2.7
337.25259	5.1
347.23666	35.2
347.27859	2.1
365.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31432	3.0
53.64796	2.5
55.05503	7.3
57.07069	3.5
67.05502	18.7
69.03431	6.3
69.07066	10.8
70.13237	5.6
71.04990	3.5
79.05496	14.6
81.07061	21.4
83.04989	3.5
83.08614	3.1
85.06554	3.4
91.05489	26.9
93.07045	35.7
95.04987	27.7
95.08598	18.4
105.07041	36.8
107.04938	3.0
107.08601	29.6
109.06541	5.5
109.10168	12.6
117.07020	11.5
119.08587	40.5
121.06514	6.0
121.10139	30.1
123.08042	5.5
128.06204	6.1
129.07025	13.8
130.07816	2.9
131.08574	26.8
133.06493	5.6
133.10170	14.8
135.08098	8.2
135.11703	3.9
137.09584	4.2
138.93132	2.6
139.11165	2.8
141.06990	5.4
142.07811	11.5
143.08575	28.7
144.09341	5.5
145.10129	28.9
147.08066	6.7
147.11678	9.0
149.09630	7.9
153.06969	3.8
155.08554	9.8
156.09363	11.3
157.10118	23.7
158.10916	6.0
159.08038	4.1
159.11703	16.4
161.09630	7.3
161.13307	6.6
165.07008	3.9
166.07729	3.1
167.08545	4.6
168.09384	4.6
169.10159	19.7
170.10980	5.5
171.08069	3.8
171.11676	15.3
172.12326	3.1
173.09656	7.5
173.13260	31.9
175.11194	4.6
179.08577	8.7
180.09352	6.8
181.10156	10.5
182.10954	7.9
183.11688	21.2
185.13277	7.5
187.11201	8.2
187.14868	3.0
189.12814	6.9
191.14334	22.0
192.09398	4.4
193.10167	8.7
194.10934	6.2
195.11729	17.6
197.13213	13.3
198.13974	3.1
199.14854	6.3
201.12811	10.3
203.14395	4.7
205.10194	4.7
206.10931	5.4
207.11818	13.2
208.12447	6.0
209.13319	10.8
211.14870	10.6
213.12726	4.3
216.15193	2.9
217.15833	3.2
218.10927	4.1
219.11713	4.7
221.13310	10.3
222.14041	3.6
223.11201	3.6
223.14832	9.8
225.12761	6.1
225.16431	6.1
227.14299	4.2
233.13280	6.2
234.14070	4.7
235.14861	5.9
237.16437	10.0
241.15839	4.0
247.14668	4.5
248.15540	3.6
249.16454	10.7
251.18069	4.5
255.17532	3.8
261.16553	3.5
263.17917	7.7
265.19482	3.1
267.17551	10.2
269.08060	3.5
269.19089	3.7
271.20740	2.9
273.16507	3.3
281.18973	4.1
282.19855	5.0
291.17383	5.6
293.08322	4.6
309.18390	5.3
319.12091	3.3
329.22723	4.1
337.25229	4.5
347.23627	17.8
365.24783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84228	1.4
57.05257	1.5
70.88380	2.1
70.88705	1.6
119.01926	2.2
126.59844	1.5
131.05168	1.4
177.00969	8.8
198.97864	1.6
201.01021	1.5
216.99040	3.3
219.01993	16.0
221.02069	1.6
235.00003	8.7
240.98856	6.3
243.02129	1.4
255.03522	1.4
259.00024	31.7
260.00131	2.2
261.03091	29.0
262.03146	2.0
264.98984	4.3
277.01016	20.9
277.93658	1.4
283.00006	69.7
284.00168	3.2
291.99692	1.5
301.01068	100.0
302.01120	3.5
319.01999	5.5
324.02551	2.5
325.01108	12.8
334.29480	1.6
343.02124	70.5
361.03201	17.1
366.03949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11661	0.7
54.00798	0.6
55.01851	1.5
55.93528	1.0
56.05043	1.2
58.48439	0.6
60.04529	2.0
60.73634	0.7
67.05535	0.7
70.02928	1.2
70.06576	2.9
71.06099	3.3
71.51453	0.8
71.51837	1.0
72.04508	1.6
72.08158	0.8
72.93810	0.8
73.02905	1.1
74.00669	5.4
74.02431	2.1
76.02235	4.0
77.00618	2.9
84.04509	2.1
84.08150	1.9
85.02910	1.3
85.06545	0.9
86.05589	1.3
86.06070	17.3
86.09708	2.6
88.04012	3.7
97.02803	0.8
98.06060	3.7
99.12428	0.7
102.03777	20.7
102.05540	0.9
110.07237	0.7
113.05972	0.9
113.92112	0.7
115.08697	6.8
116.07022	0.8
118.03246	17.8
120.01179	56.0
122.07155	0.8
124.07530	1.1
124.28841	0.7
127.03884	0.6
128.05354	1.0
129.10220	1.7
130.03238	7.6
130.04979	1.0
130.08578	1.0
131.96132	1.0
139.03911	1.8
142.08661	4.3
143.96147	0.8
144.04828	3.6
145.05077	0.9
147.05878	40.9
148.04288	13.6
149.02756	1.1
149.07507	0.8
156.04782	2.4
157.97733	0.9
162.02130	0.8
165.06992	4.5
166.05328	4.4
167.96181	1.2
169.06206	0.7
173.03801	0.8
173.07489	10.5
173.12859	2.3
184.09714	2.8
185.04268	1.2
189.08759	1.1
191.04941	1.7
207.07935	1.2
215.98390	1.4
216.02162	0.9
216.98080	1.4
219.07983	6.0
223.09183	1.1
227.98602	0.7
233.99344	3.1
234.99046	2.8
235.99425	1.2
236.10649	100.0
244.21964	0.8
246.09132	0.8
259.11014	0.9
276.02496	1.1
276.10010	2.1
294.10907	2.0
306.05051	5.4
307.04849	1.4
324.06161	0.9
348.15906	28.0
348.20172	1.7
366.10818	3.1
366.17050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09278	0.8
55.01873	11.0
55.05509	1.1
55.56444	0.9
57.03433	0.8
59.52006	0.7
61.02916	1.3
67.05495	3.1
69.03434	2.0
69.07072	1.1
70.06572	1.1
71.04992	1.2
72.08134	0.8
79.05502	1.2
79.43369	0.9
81.07065	9.9
83.08602	1.8
84.26485	0.8
84.52003	0.9
85.02908	8.8
85.06538	2.8
91.05465	1.3
93.07043	3.7
93.27279	0.7
95.04959	1.4
95.08601	5.9
97.02899	2.3
99.04440	1.1
105.69309	0.9
107.08580	1.4
109.02840	0.9
109.06548	0.9
109.10141	2.3
111.08085	95.8
111.21910	0.8
120.02342	0.8
122.57474	0.8
123.11710	8.9
127.03924	1.5
133.10167	2.9
136.06213	2.2
145.05040	1.0
151.11176	8.1
169.12244	100.0
170.12523	1.0
185.54150	0.8
186.69223	0.9
187.13286	12.6
285.98596	0.8
360.88550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95829	0.5
53.03938	0.8
55.05513	4.0
57.07061	1.1
58.06584	0.6
60.04530	61.9
65.33159	0.6
67.05187	0.7
67.05511	11.9
69.07079	3.4
69.86033	3.1
70.02960	2.9
79.05495	9.7
81.07066	11.0
83.08617	0.8
86.09693	1.1
88.03999	31.3
91.05485	7.5
93.07055	12.4
95.04977	1.5
95.08610	8.3
97.06532	1.4
97.10241	0.6
105.07043	3.8
106.05039	100.0
107.08603	5.8
109.06511	0.6
109.10159	4.0
113.09690	0.8
117.07048	1.3
119.08560	3.9
121.10148	5.4
123.08095	0.9
123.11734	0.8
131.08588	3.3
133.10159	2.9
135.11734	3.3
141.66983	0.6
145.10190	1.9
147.11746	1.6
149.13301	2.4
159.11732	1.8
161.13326	1.1
163.14807	0.7
171.13794	0.8
173.13293	2.2
175.14876	1.0
180.09238	0.6
184.07375	3.7
187.14894	0.7
207.74452	0.6
241.08730	0.7
243.21159	1.7
251.33997	0.7
261.22174	6.2
271.09692	0.9
307.09674	0.8
348.24844	1.7
349.23468	0.6
366.26205	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
53.37921	3.1
55.01886	2.8
55.05508	17.9
57.07075	10.2
59.05007	3.7
65.03938	3.7
67.05508	33.3
69.03429	6.3
69.07076	22.6
69.11895	2.9
69.87095	2.5
70.97057	6.0
71.05008	5.1
79.05061	4.1
79.05495	35.0
81.07071	48.4
83.05022	4.0
83.08620	8.9
85.06558	5.4
91.05487	53.1
93.07050	67.3
95.04979	31.9
95.08607	55.5
97.06536	11.8
103.05509	3.3
105.07034	82.0
107.08611	53.7
109.06504	15.1
109.10165	39.3
111.08089	4.5
115.05464	5.1
117.07039	15.3
119.08590	100.0
121.06506	9.4
121.10157	41.9
123.08073	3.1
123.11708	13.6
128.06261	11.5
129.07001	11.6
130.07805	3.5
131.08572	51.6
132.09361	3.8
133.06520	4.0
133.10144	54.9
135.08066	19.9
135.11664	19.2
137.09604	6.2
141.07030	5.9
142.07838	15.6
143.08571	34.4
144.09389	9.3
145.10124	60.1
146.07242	4.9
147.08061	9.8
147.11719	23.9
149.09621	19.1
149.13339	3.0
150.56548	3.1
153.07040	3.3
155.08580	9.1
156.09322	14.3
157.10143	42.3
158.10863	3.7
159.08073	8.2
159.11699	33.9
161.09622	37.9
161.13249	10.2
163.11250	3.7
165.06989	4.6
167.08627	7.6
168.09407	5.6
169.10152	16.5
170.10973	6.4
171.11691	21.0
172.12485	5.4
173.09682	5.6
173.13281	27.7
175.11230	9.2
175.14883	17.5
179.08618	9.7
181.10155	11.6
182.10880	4.6
183.11777	18.4
184.12517	4.0
185.09669	4.1
185.13283	11.2
187.11171	3.1
187.14810	13.9
189.12738	4.9
193.10097	4.1
194.11028	6.6
195.11746	12.4
196.12421	3.9
197.13231	15.7
198.14105	3.7
199.14828	15.2
201.12831	5.4
201.16499	7.3
207.11774	4.1
208.12497	3.6
209.13278	25.2
210.13972	3.0
211.14854	8.9
213.16383	5.7
215.14346	4.7
217.15880	3.5
223.14847	8.1
224.15640	3.3
225.16365	2.9
227.14314	19.0
235.14925	4.0
239.17969	10.5
251.17969	3.1
253.19666	4.6
255.17429	4.7
257.19067	3.9
265.19592	4.4
267.17410	3.5
269.19086	4.3
275.17865	4.6
293.18921	4.6
349.25259	10.9
367.26257	15.5
370.73700	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05515	19.4
57.07070	9.8
61.17808	3.9
65.19565	3.9
67.05511	43.1
69.03447	7.5
69.07079	24.4
71.04980	11.4
79.05499	35.1
81.07056	52.1
83.04946	6.6
83.08629	10.4
85.06557	4.6
87.61981	4.1
91.05498	60.0
93.07046	78.9
95.04973	39.1
95.08618	62.5
97.06528	14.8
105.07038	95.9
107.08604	63.9
109.06512	10.6
109.10164	39.8
111.08128	3.7
115.05431	8.4
117.07038	21.0
119.07813	7.1
119.08598	100.0
121.06496	10.3
121.10159	40.1
123.08097	5.7
123.11718	17.0
128.06215	9.9
129.07021	19.4
130.07753	10.1
131.08582	56.8
133.06517	7.6
133.10156	65.3
135.08061	16.2
135.11699	23.6
137.09621	4.6
139.11172	4.6
141.06981	4.7
142.07805	27.9
143.08560	34.4
144.09338	14.7
145.06447	5.4
145.10127	62.4
146.07249	6.7
147.08058	8.0
147.11697	23.2
149.09596	22.0
151.11119	4.8
153.06943	4.1
154.07909	4.1
155.08603	13.9
156.09421	9.6
157.10144	60.7
158.10892	7.0
159.08051	5.3
159.11728	45.5
161.09619	47.1
161.13321	9.2
163.11172	4.4
167.08557	7.8
168.09436	6.8
169.10136	20.5
170.10884	11.8
171.11703	28.8
172.08934	3.7
172.12526	4.3
173.09659	8.2
173.13248	26.3
175.11195	8.7
175.14847	25.0
179.08549	8.1
181.10150	7.5
182.10858	6.8
183.11739	19.4
184.12427	4.7
185.09566	6.7
185.13223	14.4
186.14032	4.4
187.14812	13.0
193.10149	5.7
194.10892	8.0
195.11653	13.6
196.12488	6.8
197.13258	14.0
199.14856	13.1
201.12787	8.5
201.16458	8.7
209.13300	33.0
211.11292	4.1
211.14900	5.2
215.17981	4.9
223.14877	9.6
225.16362	5.3
227.14337	29.4
239.17886	12.2
249.16530	4.5
255.17584	4.6
256.93381	4.2
257.19049	5.9
338.71497	3.9
349.25204	12.7
367.26462	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	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01870	0.5
57.03426	0.4
61.02928	0.8
65.77988	0.2
69.03436	2.7
70.06592	0.5
70.27684	0.2
71.06691	0.4
73.02948	0.3
78.42244	0.2
81.03446	0.7
85.02902	5.3
87.04476	0.5
87.26131	0.2
88.11275	0.9
91.03958	0.4
97.02895	2.4
109.02878	0.5
127.03938	1.2
132.04454	5.7
135.89319	0.2
145.04974	1.3
160.03960	0.9
178.05003	58.8
179.05376	0.5
188.07042	0.4
189.07433	0.9
206.04495	100.0
207.04756	0.8
304.72159	0.3
347.84460	0.3
368.09525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.05508	3.8
56.96578	2.0
57.03435	6.2
57.07066	4.8
60.42808	1.8
61.02930	3.8
67.05520	11.3
69.03442	10.8
69.07063	7.4
70.06595	3.7
71.05002	20.8
71.08643	20.4
71.52928	3.0
76.02238	9.6
79.05473	2.0
81.03426	5.9
81.07050	5.1
83.04996	2.3
83.08618	8.2
84.04509	2.9
84.08187	1.9
85.02909	27.1
86.09715	2.7
87.04470	4.3
91.03918	2.1
91.05486	6.9
95.04975	2.3
95.08591	3.8
97.02906	10.5
97.06510	2.0
99.04494	1.7
99.08098	32.3
104.07101	2.6
105.07025	3.2
107.08612	3.9
109.02879	4.1
109.09464	3.5
109.10162	43.5
119.04962	8.0
119.08566	2.6
127.03936	6.0
127.11216	8.0
130.05031	1.9
135.08156	2.0
145.05023	4.0
145.12247	100.0
147.04442	8.9
153.12801	2.9
162.02202	4.8
171.13838	16.2
175.03951	12.2
179.04851	5.8
189.14877	26.2
197.04443	4.1
206.21080	1.8
207.06548	28.9
233.05923	3.2
265.10712	2.6
297.03986	3.4
299.05765	2.0
308.09140	5.3
310.06436	3.3
323.09348	2.5
323.23611	2.5
332.09317	2.0
350.10464	8.4
361.22000	2.2
367.72003	6.2
368.11234	5.5
368.21759	5.1
369.07840	3.2
382.98874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24521	0.6
70.24864	1.8
80.83993	0.4
85.02879	0.5
94.91425	0.5
101.75883	0.5
118.98559	0.5
167.22218	0.4
168.74815	0.5
175.03862	0.7
185.04225	2.3
207.02641	4.2
207.06566	0.9
226.78316	0.5
228.59981	0.6
369.07944	100.0
370.08188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.05502	0.9
56.50021	0.3
56.64414	0.4
57.03416	0.6
61.02926	1.0
65.03928	1.2
65.91209	0.4
67.05505	0.9
69.03432	11.3
69.07073	0.7
69.67139	0.4
69.85220	2.1
70.06580	0.4
71.04977	0.5
77.03941	0.6
79.05483	0.7
81.03387	0.7
81.07063	0.7
85.02887	1.6
89.03886	0.5
89.55061	0.4
91.05482	19.5
93.07046	1.0
95.04948	0.8
95.08603	1.0
97.02897	0.9
98.21526	0.6
99.04446	0.5
100.11214	0.5
105.03399	0.9
105.07025	1.2
107.04960	0.7
107.08558	0.9
107.35236	0.4
109.02864	1.5
109.06489	0.6
109.10168	0.9
119.04944	29.7
119.08585	0.9
121.10141	0.8
123.04417	0.9
123.08078	0.7
127.03924	5.4
132.02063	1.0
133.10147	0.6
144.74588	0.4
145.02864	0.6
147.04416	28.0
149.05998	0.9
157.03995	3.6
161.05968	0.5
161.09576	0.6
163.03912	0.5
164.04689	0.7
167.07071	0.7
168.33911	0.4
175.03909	46.8
176.04385	0.6
179.07034	1.9
192.04175	0.6
207.06534	100.0
208.06920	0.7
215.87915	0.4
219.06584	0.6
225.07581	1.1
351.10767	3.1
369.07706	0.7
369.11871	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	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.08606	0.3
52.65340	0.3
58.01806	0.3
64.60598	0.3
65.03938	1.1
69.03431	15.6
69.72994	2.0
69.75927	0.3
77.03932	0.9
81.03421	0.8
82.45654	0.3
85.02902	0.8
89.03941	0.7
91.05485	19.2
93.07014	0.5
97.02884	1.1
98.21508	0.6
99.04451	0.6
103.05465	0.6
105.04519	0.4
107.04944	0.4
109.02893	0.5
119.04942	32.3
127.03928	6.4
128.06296	0.4
131.04910	0.6
132.02078	1.6
133.06470	0.4
145.02843	0.5
147.04411	24.7
149.02368	0.9
157.03976	2.7
164.04648	1.1
167.07080	0.7
175.03909	49.1
176.04338	0.6
177.05643	0.4
179.07004	2.6
192.04175	1.2
207.06528	100.0
208.06918	1.1
214.04398	0.5
219.06567	0.8
225.07570	1.9
231.06581	0.4
261.07599	0.5
263.09277	0.8
291.08585	0.9
351.10806	4.1
356.38535	0.4
369.07214	0.9
369.11804	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.38285	0.3
53.03970	0.3
54.37984	0.3
55.05511	0.5
57.03436	0.7
61.02927	1.0
62.80763	0.3
62.96511	0.3
67.05499	0.4
69.03440	3.8
69.07063	0.6
69.40546	0.8
69.40954	1.4
70.06597	1.3
71.04979	0.4
72.08154	0.5
73.02895	0.4
78.81522	0.3
79.05506	0.6
81.03423	1.0
81.07053	1.5
82.07381	0.3
83.05000	0.5
84.08137	0.6
85.02904	5.2
86.09717	1.1
87.04420	0.4
89.99857	0.3
91.05499	1.6
93.07055	0.7
95.04979	1.0
95.08606	1.2
97.02898	2.4
98.21510	0.7
99.04465	0.7
99.08163	0.3
105.07039	1.1
107.08613	1.4
109.02895	0.9
109.06523	0.8
109.10159	0.9
111.04362	0.3
111.08114	0.6
119.04967	2.2
119.08579	2.1
120.08118	0.4
121.06495	0.4
121.10148	1.0
123.04423	0.5
123.08047	0.5
127.03933	1.4
129.07045	0.4
131.04980	0.4
131.08534	0.9
133.10077	0.5
135.04434	0.6
135.08064	1.7
135.11746	0.4
137.05997	1.0
137.09554	0.3
143.08594	0.5
145.01791	0.3
145.02875	0.8
145.05003	0.7
145.10146	0.7
147.04436	2.1
147.08061	1.4
147.11717	1.0
149.09631	1.1
151.07571	0.6
153.12743	0.3
154.13110	0.6
161.09680	0.4
161.13240	0.4
163.03865	0.6
163.11195	0.4
165.05484	70.3
166.05824	0.8
171.11684	1.0
172.14136	0.6
174.06921	0.3
175.03880	2.1
177.05481	1.2
189.05476	0.4
189.12735	4.5
190.02911	0.3
191.14311	1.4
201.50003	0.3
207.06537	100.0
207.13811	3.9
208.06885	0.9
285.08002	0.4
351.11176	0.4
351.18066	0.5
353.02231	0.4
369.11206	0.5
369.15530	2.8
385.96191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.43353	0.5
57.03423	0.7
58.87225	0.5
61.02924	0.9
65.03918	0.6
67.05508	1.7
69.03436	10.9
69.07033	0.6
69.57055	0.6
71.37286	0.6
77.03902	0.5
79.05478	2.2
81.03436	1.2
81.07036	1.6
83.08615	0.6
85.02905	1.5
89.03912	1.0
91.05485	18.3
93.07040	1.7
95.04945	0.6
95.08596	1.2
97.02864	1.3
99.04421	0.6
103.05463	0.8
105.07015	1.9
107.04948	0.8
107.08547	0.9
109.02866	0.9
109.10130	0.6
111.04450	0.6
115.05375	0.5
119.04948	27.9
119.08569	1.0
121.10169	0.8
127.03916	4.8
128.09268	0.6
131.04921	0.8
131.08659	0.7
133.10144	1.3
137.05962	0.8
145.10130	0.8
147.04420	26.8
147.11646	0.9
149.02425	0.7
151.03918	0.6
157.03981	2.9
161.09625	0.7
163.03868	1.5
164.04646	0.6
167.07066	1.2
175.03918	44.9
176.04430	0.8
179.07036	1.8
192.04204	0.9
207.06537	100.0
208.06923	0.9
225.07510	1.3
260.90903	0.5
291.08701	0.7
323.17880	0.6
351.10934	2.3
369.11844	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	369.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65087	0.8
55.05498	0.9
57.03426	2.2
67.05509	1.6
71.59991	0.7
75.87852	0.8
79.05494	1.2
81.07060	3.8
85.02892	1.3
91.05473	1.7
95.04974	0.9
95.08585	1.9
97.06535	0.9
105.07022	6.9
121.06499	5.6
121.10199	1.0
131.08591	1.0
133.02850	1.0
137.05981	2.9
147.08049	1.7
159.08086	3.8
165.05496	3.2
165.53067	0.9
173.09554	1.0
181.04982	7.5
194.07289	1.1
195.08044	1.5
196.08856	2.3
197.09662	0.9
201.12755	6.5
209.06175	1.1
209.09645	1.1
210.06775	2.5
211.07526	3.3
217.12387	1.2
223.07594	1.5
224.08322	4.1
225.09081	10.8
227.07010	17.3
228.07870	1.0
237.09113	2.0
239.07120	1.6
240.07799	9.3
241.08569	4.9
248.08240	1.0
249.08698	0.9
253.08604	13.7
254.09251	2.1
255.06615	1.4
255.10257	4.4
256.07303	11.4
261.09067	1.2
265.08649	2.5
267.09949	0.9
269.08148	2.3
270.08878	100.0
271.09644	90.5
272.10095	2.0
277.08469	1.4
278.09491	1.3
281.08124	7.1
281.11609	1.5
283.09763	4.8
291.10251	4.0
293.08206	1.7
294.09036	1.0
295.09683	3.6
299.09177	2.5
304.10901	1.5
307.09586	2.9
307.13132	1.4
308.10446	1.7
309.11298	2.3
318.12650	1.1
323.16412	5.4
325.14352	17.9
325.17755	1.5
333.14886	11.0
337.14444	3.7
351.15909	25.1
369.16995	41.4
370.17407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03418	1.9
67.05502	1.1
69.21428	5.5
76.23810	0.5
79.05466	1.1
81.07072	3.5
84.66035	0.6
85.02886	0.9
91.05507	0.7
93.07001	0.7
95.08560	0.9
97.06538	1.2
105.07043	0.8
121.06511	2.3
137.05968	4.5
143.08513	0.8
145.06494	0.8
147.08061	1.6
159.08020	1.9
161.06052	0.8
163.07556	1.3
165.05496	4.1
165.06715	0.6
181.05049	4.3
181.06496	1.5
182.07135	1.2
194.07272	1.3
195.08026	1.1
196.08910	1.4
201.12741	3.5
207.06506	0.9
209.05984	1.0
209.09584	1.0
210.06764	1.9
211.07539	2.0
212.08365	0.7
214.06053	0.9
215.10670	0.8
217.12231	2.5
223.07527	1.1
224.08369	2.8
225.05481	0.8
225.09103	9.5
226.06277	0.8
227.07054	13.3
228.07671	1.5
237.09145	1.8
238.06313	0.9
239.06990	1.8
240.07788	10.4
241.08563	4.8
243.10178	1.2
247.11369	0.7
248.08434	1.0
250.60690	0.6
253.08614	13.0
254.09357	1.9
255.06454	0.9
255.10271	3.7
256.07324	9.8
265.08646	2.1
268.88974	0.7
269.08209	1.5
270.08884	92.6
271.09653	100.0
272.09958	1.8
275.10736	0.9
276.07629	0.8
277.08603	1.6
278.09305	1.1
279.09991	0.8
281.08090	7.3
281.11465	1.4
283.09735	5.1
284.06876	0.7
289.08517	2.2
291.10172	4.2
293.08170	0.7
294.09055	1.2
294.12448	1.4
295.09741	3.9
299.09158	3.8
304.10931	1.8
307.09607	2.4
307.13226	1.4
308.10431	1.2
309.11209	2.2
319.13159	0.7
323.16333	5.2
325.14355	19.6
325.18054	0.8
333.11176	1.1
333.14850	13.8
351.15927	24.7
369.16977	33.4
369.24286	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	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.03430	1.9
60.82254	0.8
67.05509	2.0
69.84784	2.0
69.85174	1.9
79.05474	1.4
81.07059	5.5
87.55589	0.8
90.62836	0.9
91.05473	2.3
93.07027	1.3
95.08584	1.5
101.40228	0.8
107.08552	1.4
109.10197	0.9
112.18074	0.8
112.18838	0.9
119.08543	1.1
120.33863	0.8
121.06547	2.9
125.09708	0.8
129.07098	0.9
131.08534	1.1
137.06015	4.0
147.08086	1.4
151.11108	0.9
159.08023	2.1
160.05096	1.0
163.07466	1.1
165.05521	5.1
165.06726	0.9
175.03831	0.9
181.04945	2.9
181.06409	1.0
196.08931	2.0
197.09586	1.3
201.12744	4.5
209.05899	1.2
210.06755	2.1
211.07585	3.0
214.06148	1.1
217.12257	1.9
223.07538	1.7
224.08333	3.6
225.09103	11.4
226.06302	1.0
227.07039	17.9
227.10640	1.2
228.07716	1.0
237.09247	1.9
239.07108	1.1
240.07803	8.8
241.08649	4.0
243.10036	1.1
253.08641	14.3
254.09293	1.1
255.06554	1.7
255.10138	3.2
256.07312	8.3
265.08612	2.2
267.10092	1.6
269.08112	2.3
270.08890	98.6
271.09656	100.0
272.10043	1.7
278.09427	1.5
281.08203	7.1
283.09744	6.2
289.08514	1.5
291.10156	4.4
294.12613	1.2
295.09680	3.8
299.09158	4.0
304.10892	1.7
307.09573	2.7
307.13181	2.1
309.11221	2.4
323.16422	5.3
325.14380	18.5
325.17981	1.3
333.14825	11.1
351.15933	20.2
369.16989	38.5
369.23749	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1697
Annotation	Edulenol
Peak:m/z	Relative Intensity
50.44065	0.7
50.68008	0.8
55.05488	0.8
57.03436	2.1
67.05505	1.1
69.15726	8.8
79.05497	1.2
81.07045	3.6
96.12363	0.9
97.06577	1.1
98.20722	1.7
99.08067	0.9
121.06529	2.1
135.77333	0.8
137.05994	4.7
159.08047	1.2
160.89441	0.9
163.07539	1.8
165.05482	4.2
181.04979	4.8
181.06407	1.4
195.08112	1.1
196.08853	1.5
201.12782	5.3
209.05954	1.8
209.09596	1.0
210.06752	2.5
211.07608	1.5
217.12309	1.7
223.07544	1.9
224.08316	2.9
225.09100	10.1
227.07048	14.6
228.07762	1.6
237.09140	1.2
238.06239	1.6
239.07053	1.6
240.07791	10.2
241.08472	4.7
243.10153	1.0
248.08319	0.9
253.08612	12.3
254.09433	1.4
255.10175	3.0
256.07315	9.3
265.08636	2.2
267.10211	1.8
269.07935	1.8
270.08875	95.3
271.09662	100.0
272.09985	1.4
277.08575	2.1
278.09393	1.1
279.10294	1.2
281.08081	7.2
281.11594	2.3
283.09689	5.7
289.08539	2.3
291.10196	4.5
295.06616	0.8
295.09717	3.8
299.09109	2.9
304.10883	1.0
307.09903	1.1
307.13388	1.4
308.10342	1.2
308.96832	1.1
309.11203	3.0
323.16437	5.3
325.14340	20.2
325.17987	1.2
326.14114	1.0
333.14841	14.6
351.15973	22.8
369.16959	39.5
385.87827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01860	2.9
55.05499	2.6
57.03425	3.2
57.07075	0.9
59.04985	1.8
59.54981	0.7
61.02933	6.1
64.79143	0.8
67.05491	3.2
68.89772	0.7
69.03433	27.4
69.07059	3.4
69.16676	6.6
69.17077	1.9
70.06579	1.9
71.04985	2.6
71.84757	0.7
73.02922	2.6
79.05499	4.9
81.03420	6.8
81.07064	6.5
82.37721	0.8
83.04977	2.3
83.08624	1.4
84.04462	1.1
84.08123	1.3
85.02907	32.0
86.09686	1.1
87.04454	3.0
87.23958	0.8
91.03952	2.3
91.05481	12.8
93.07046	5.0
95.04964	6.7
95.08615	5.3
97.02902	12.3
97.06512	1.9
99.04424	2.3
99.08091	1.5
105.07051	7.6
107.08578	4.9
109.02900	4.2
109.05804	1.4
109.06525	21.9
109.10139	1.0
111.08099	1.7
116.06248	0.9
117.07020	2.5
119.04944	3.5
119.08583	11.5
121.10138	5.4
123.04376	1.0
123.08085	6.8
125.05958	0.9
125.09612	1.1
127.03922	6.7
128.06157	0.9
129.06969	1.7
131.07591	1.6
131.08569	21.1
133.06499	6.0
133.10133	3.9
135.08069	4.3
135.11726	1.2
137.09613	1.1
143.08554	2.4
144.56476	0.8
145.04976	4.9
145.10130	4.8
147.04434	5.0
147.08052	21.6
147.11685	3.7
148.08710	0.8
149.09610	4.7
151.07549	100.0
156.09346	3.2
156.16000	0.8
159.11696	1.4
161.09627	5.7
161.13255	1.3
163.11200	13.1
165.08989	0.7
165.12718	2.1
171.11708	8.7
173.13266	2.0
174.10381	0.8
174.59360	0.8
175.03935	6.1
185.13283	1.3
189.05356	0.9
189.12753	40.7
191.14374	5.0
201.16417	1.0
203.14320	1.4
207.06531	14.2
207.13805	57.1
219.17538	1.0
231.13823	3.7
237.18654	1.1
247.16982	1.1
249.14850	2.0
280.27451	0.9
351.18024	1.9
369.07758	3.0
369.15063	16.1
369.19174	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31753	3.2
53.03933	4.1
55.01870	6.9
55.05517	5.4
57.03426	5.6
57.07059	4.1
59.04999	8.2
61.02920	8.2
67.05507	5.8
69.03436	42.8
69.07035	3.5
70.06586	3.6
70.77901	8.0
70.78251	4.2
71.04977	6.5
73.02922	6.1
76.02218	9.4
78.01777	3.5
79.05485	6.7
79.23611	3.5
81.03406	13.2
81.07030	7.3
83.04966	7.4
83.59595	3.5
83.63630	3.0
84.04497	4.4
84.08145	3.2
85.02446	5.3
85.02914	67.0
86.03248	4.8
86.09658	4.6
87.04449	4.2
91.05502	25.3
93.07030	6.9
95.04965	16.5
95.08591	11.1
97.02899	32.2
99.04427	5.2
105.07024	16.5
107.08607	21.4
109.02873	9.4
109.06528	68.9
109.10177	5.6
116.01591	3.4
116.06207	3.7
117.07023	5.7
119.04957	7.3
119.08599	34.5
121.10130	15.2
123.04425	4.3
123.08076	62.9
123.11713	4.5
127.03935	16.6
129.07002	3.6
131.08572	40.6
133.06517	8.1
133.10094	8.3
135.08043	8.6
143.08574	7.2
145.04955	17.4
145.10130	12.6
147.08058	44.0
147.11722	16.9
149.05974	11.1
149.09650	31.3
149.95255	3.3
151.07544	94.2
154.58446	3.3
156.09317	9.5
159.07974	4.4
159.11717	6.9
161.09584	4.9
161.13248	12.4
163.11176	11.2
165.12793	8.1
171.11697	23.6
173.13078	3.8
175.03922	6.9
179.04819	5.0
187.11099	4.8
189.12773	100.0
191.14294	4.2
198.04823	3.9
205.12256	7.5
207.06560	16.6
207.11919	5.8
207.13817	93.9
231.13864	4.6
253.03656	3.3
255.13734	5.4
265.10742	5.3
273.14728	5.5
303.15799	4.4
333.16873	4.4
351.18063	10.1
369.07889	20.6
369.19055	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01882	2.4
55.05505	1.0
57.03190	0.5
57.03445	3.1
57.07074	0.5
59.04996	1.1
59.16295	0.5
61.02932	5.9
67.05495	2.9
69.03435	22.9
69.07061	1.3
71.04980	2.3
73.02919	2.8
79.05481	2.2
81.03418	6.0
81.07055	2.6
83.04979	1.3
83.08631	0.5
84.04494	0.5
85.02911	26.2
85.06558	1.1
85.18285	0.5
87.04487	2.3
91.03939	1.5
91.05479	7.8
93.07040	2.1
95.04977	7.3
95.08613	3.8
97.02901	9.6
97.06515	0.6
98.21550	0.7
99.04460	2.1
101.99257	0.4
105.07049	5.2
107.04967	0.6
107.08607	5.6
109.02898	3.4
109.06525	22.9
109.10146	0.8
111.04452	0.5
111.08044	0.9
115.05482	0.5
116.06239	0.6
117.07011	1.4
119.04967	1.0
119.08589	11.4
121.06567	0.6
121.10129	3.3
123.08073	8.8
127.03917	5.7
129.07008	2.0
130.07797	0.5
131.08582	18.8
133.06512	5.1
133.10126	2.2
135.08087	3.8
137.09589	0.6
143.08575	2.0
145.04950	4.5
145.10112	3.3
146.07336	0.7
147.04391	1.0
147.08054	15.6
147.11682	3.1
149.09610	3.4
151.07550	100.0
156.09360	4.5
159.08078	0.9
159.11702	1.2
161.09625	3.1
161.13268	1.4
163.11185	9.5
165.12756	1.9
171.11696	8.3
175.03923	2.1
189.12753	49.0
191.14374	1.5
203.14313	1.1
207.06540	3.8
207.13811	45.9
208.14284	0.7
231.13875	3.4
249.14908	1.0
369.07886	0.9
369.15128	0.8
369.19135	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89609	0.9
55.01869	7.4
55.05515	7.6
56.01877	0.8
57.03430	4.0
57.07062	1.0
59.56104	0.9
67.05509	9.1
69.03429	2.1
69.07076	5.1
70.06583	1.2
71.52331	1.1
79.05489	7.4
81.07063	27.2
83.04986	3.8
83.08603	2.2
85.02895	1.4
91.05470	6.2
93.07038	8.7
95.04961	1.2
95.08611	10.8
97.06512	1.8
99.04459	1.0
105.07017	4.8
107.08613	5.6
109.06514	12.7
109.10156	4.0
110.51286	0.9
111.04439	17.4
111.08096	2.4
117.07006	1.6
119.04989	1.5
119.08573	6.5
121.10136	3.8
123.08083	3.6
123.11618	2.0
125.05984	5.5
129.07025	1.1
131.08545	3.4
131.18633	1.0
133.10150	6.1
135.08063	4.3
135.11678	5.3
137.05981	100.0
137.13269	2.2
138.06290	1.3
139.07545	1.0
141.93484	1.0
143.08595	1.5
145.10117	2.4
147.08020	3.1
147.11707	7.3
149.09616	6.0
151.07564	2.4
151.11142	1.7
157.10179	2.8
158.73582	1.0
161.09607	7.4
161.13258	3.1
163.11206	3.3
165.09105	2.9
169.10268	1.3
171.11699	2.3
175.03880	2.1
175.11224	6.4
175.14763	1.2
177.09174	1.0
179.10695	2.5
185.13251	1.1
189.12766	1.3
193.12204	1.7
203.17953	6.1
205.19557	1.1
207.06587	5.2
207.10168	1.0
213.16331	2.6
217.08624	2.3
221.19019	2.6
231.17436	9.1
241.15948	1.2
249.18486	12.5
270.08853	2.9
271.09637	3.9
277.18002	87.9
278.18256	1.6
295.19052	13.2
308.06656	1.3
309.07550	2.7
334.16061	1.2
351.12088	1.3
351.21588	15.1
369.13382	1.8
369.23007	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	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.51311	6.6
51.82463	6.1
55.01867	9.4
55.05515	29.5
55.48387	6.4
57.07091	11.9
59.58855	7.2
67.05508	34.0
69.07058	22.0
69.79198	26.0
72.03674	6.6
75.16068	6.8
79.05495	18.9
81.07070	41.3
83.08621	9.9
91.05486	33.5
93.07059	46.2
95.04970	21.5
95.08626	67.1
98.20763	13.6
105.07042	56.8
107.08601	56.5
109.10129	39.2
111.08086	22.6
117.07032	21.3
119.08596	100.0
119.40018	6.3
121.06499	9.7
121.10149	58.1
123.08097	7.7
123.11708	15.4
129.07001	19.3
131.08589	37.4
133.10138	61.7
135.08073	22.5
135.11745	17.2
137.05975	61.3
137.09602	14.6
139.07585	6.8
142.07767	14.4
143.08571	35.1
145.10126	55.6
147.08070	28.2
147.11702	25.3
149.09624	19.3
155.08554	13.5
157.10130	47.5
158.10930	9.4
159.08040	21.9
159.11694	45.8
161.09648	13.9
163.07545	8.4
165.06943	7.7
168.09372	9.7
169.10136	17.3
170.10887	8.4
171.11673	18.1
173.13246	19.8
175.14868	43.1
177.09132	8.3
180.09245	11.1
181.10126	10.1
183.11659	29.0
185.13292	21.1
187.11227	8.1
187.14854	29.0
190.18755	8.6
191.14183	9.0
195.11606	11.3
197.13277	13.9
199.11252	8.8
199.14842	15.5
203.10664	7.5
205.15892	8.0
209.13316	23.4
211.11208	13.0
211.14706	10.1
217.15950	7.2
225.09143	8.8
225.16408	7.3
229.12285	19.2
239.17955	9.7
257.15491	13.4
265.19727	10.7
270.08908	47.7
271.09619	44.4
325.14291	13.4
333.14993	8.2
351.16254	13.7
351.23102	22.7
369.16843	17.7
369.24295	55.4
372.65466	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	370.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
57.03435	0.9
57.06796	0.9
57.07079	16.0
59.05004	100.0
69.03432	5.2
69.54433	6.0
75.27573	0.8
80.70285	0.8
81.03426	1.9
85.02905	10.2
91.03973	1.2
91.05495	6.0
93.07045	0.9
97.02891	3.1
97.10166	1.3
98.20757	1.5
103.65688	0.8
105.07024	1.4
109.02855	1.3
115.11209	30.4
117.09116	1.6
119.04932	1.8
120.05302	1.5
123.04353	0.9
127.03924	1.9
138.09795	0.8
145.04941	1.4
147.04416	2.8
148.04741	1.6
151.03873	1.7
173.15375	4.5
175.03944	2.5
176.04242	1.9
191.16426	47.1
207.06554	3.2
208.06845	5.2
209.75705	0.9
299.05341	1.3
345.72809	0.9
370.12744	1.6
371.00626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56625	13.6
53.80123	14.5
61.02911	14.7
69.03437	24.5
70.06602	28.2
71.51611	30.0
73.04757	22.9
81.03431	17.1
82.95309	16.1
85.02911	55.4
86.09719	64.6
87.10041	20.2
91.05772	15.8
92.57408	16.7
97.02899	52.3
109.02887	17.4
110.07219	18.0
117.65540	14.7
127.03909	28.9
131.46112	16.1
132.10246	41.3
136.06213	100.0
153.01811	26.9
202.96744	15.3
215.68925	15.2
257.34424	17.4
271.02863	17.5
371.04053	91.1
371.13916	15.3
371.26715	35.5
373.06351	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	371.1487
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03939	2.3
55.01875	1.7
55.05507	2.1
57.03441	1.0
65.03954	1.1
67.05508	3.5
68.99791	1.7
69.03437	1.9
69.07059	1.9
69.79117	3.1
70.06594	0.9
71.01339	0.9
71.04982	0.7
77.03964	1.3
79.05487	5.6
81.03414	1.8
81.07055	20.7
85.02921	1.6
85.06529	0.7
91.05468	8.3
93.07042	2.4
95.04959	2.8
95.08583	4.1
97.10138	1.1
105.03400	2.0
105.07028	2.2
107.04961	1.7
107.08577	1.8
109.02882	3.0
109.06504	1.1
109.10157	3.1
110.53708	0.8
111.08069	1.9
115.05460	1.1
117.07014	0.9
119.04948	17.8
119.08603	1.3
121.06430	1.5
121.10161	1.7
123.04430	91.0
123.08060	4.0
125.02366	1.8
127.03915	2.0
129.05508	0.7
131.08563	2.1
133.06441	1.1
133.10127	4.2
135.04449	3.3
135.08090	1.4
137.02301	0.6
137.06001	2.9
137.09648	0.9
139.03900	6.3
145.10094	0.9
147.04411	55.5
148.04688	0.9
149.05945	6.0
149.09628	1.5
151.03906	100.0
152.04207	0.9
153.05478	0.8
161.06018	4.2
163.03915	6.1
163.07616	0.8
165.05476	32.7
165.09222	0.8
173.05986	1.4
173.13324	1.3
177.05476	9.2
177.09128	1.9
179.07054	1.9
181.04926	2.4
189.05424	1.8
191.07013	1.4
191.10680	0.8
191.14333	2.5
193.04997	1.6
195.10205	1.1
201.09181	2.2
203.10657	1.1
207.06502	2.5
207.10127	2.3
209.04475	1.2
215.12932	0.7
216.73216	0.6
219.10164	79.1
220.10559	1.2
231.10194	2.3
249.11243	3.9
262.57568	0.7
271.41171	0.6
285.07632	1.4
303.08643	17.3
319.97073	0.6
329.09946	0.8
335.22742	0.9
353.13818	2.9
371.14688	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	371.1493
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.61657	1.2
52.82752	1.2
53.03927	1.3
55.01873	2.8
55.05510	4.4
57.07064	1.7
67.05518	8.7
68.99760	1.7
69.07081	2.5
70.06613	1.5
71.52908	2.6
79.05493	5.7
81.03413	4.8
81.07056	9.3
83.04988	1.6
85.02895	2.3
91.05457	10.0
92.02711	1.2
93.07059	7.0
95.04972	5.1
95.08614	6.0
97.02869	1.9
103.05489	2.6
105.07083	3.4
107.04965	2.9
107.08590	2.0
109.02887	3.3
109.06525	2.0
109.10165	3.3
111.04428	1.6
111.31046	1.3
115.05508	1.5
119.04948	19.3
121.06519	3.3
121.10160	1.6
123.04431	100.0
123.08085	5.1
125.09644	1.8
127.03888	2.1
129.05505	1.9
133.06534	3.6
133.10126	1.9
133.35028	1.5
135.04414	2.1
137.06012	2.8
137.85840	1.4
139.03894	4.9
143.04863	2.5
145.10213	1.4
146.01956	1.5
147.04420	57.7
147.05540	3.0
147.06360	2.7
149.05989	26.6
149.09630	4.4
151.03909	69.6
161.05983	12.9
163.03954	6.7
165.05490	43.2
167.07063	3.4
169.04999	3.3
177.05484	12.2
177.09183	1.5
179.07040	3.0
181.04996	3.1
187.07608	2.9
189.05518	4.2
191.07147	1.8
193.04942	2.2
201.09258	1.7
207.06563	10.0
207.10178	2.6
209.04515	2.2
219.10176	95.1
249.11270	4.5
303.08594	10.9
315.05200	3.7
353.13879	10.6
371.14938	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03938	3.4
55.01862	6.1
55.05501	7.0
57.03434	2.6
57.07065	2.4
61.02924	2.1
65.03941	2.5
67.05504	14.9
68.99799	3.2
69.03425	4.7
69.07059	4.3
69.18472	18.4
70.79905	2.0
71.08623	2.3
79.05483	9.1
81.03427	5.4
81.07056	23.0
83.04993	2.8
84.04530	2.0
84.08119	4.5
84.28347	1.8
85.02892	3.3
91.05455	13.0
93.07039	8.6
95.04978	5.1
95.08602	9.9
97.02885	5.9
97.10181	2.4
105.07019	9.1
107.04949	6.2
107.08574	6.5
109.02889	6.4
109.06495	3.4
109.10168	12.3
111.04482	4.2
113.35133	2.1
115.05457	3.3
119.04948	18.0
119.08582	3.9
121.06430	2.8
121.10144	7.7
123.04433	93.8
123.08063	4.8
129.05464	3.9
131.04945	2.6
131.08585	3.4
133.06488	3.7
135.04378	3.7
135.08064	3.3
137.05943	4.5
139.03870	6.5
143.04893	3.4
145.10115	4.0
147.03239	3.5
147.04411	50.3
147.06468	2.9
149.05977	23.4
151.03905	100.0
153.05452	3.2
161.05986	11.1
163.03888	6.4
163.11186	5.3
165.05496	40.1
165.09033	2.1
167.07037	10.5
169.04912	2.6
173.11748	2.8
175.07652	3.2
177.05556	10.7
179.06914	2.6
181.04973	3.7
187.07489	2.3
188.13739	1.8
189.05476	3.2
191.10678	3.7
197.64635	2.0
201.09113	2.3
207.06546	6.2
207.10194	2.4
209.04439	4.7
217.08490	3.2
219.10164	80.6
220.10611	3.5
239.20134	3.0
249.11230	5.2
270.13065	2.5
282.80313	2.0
285.00659	2.1
285.07669	3.4
303.08600	13.5
343.17371	2.2
353.13760	7.3
371.14865	27.1
371.24295	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90079	3.3
53.03939	12.7
55.01873	24.5
55.05516	28.4
57.03423	6.3
58.99582	3.6
59.04984	4.0
60.91225	3.6
61.02917	15.1
64.61920	3.7
65.03944	5.0
67.05521	43.6
69.03442	18.0
69.03740	3.5
69.07076	29.4
70.06592	7.3
71.04994	8.5
71.52516	5.7
73.04784	4.2
74.62617	3.5
79.05501	51.6
81.02996	5.8
81.03427	81.7
81.06608	3.7
81.07069	66.7
82.67023	3.9
83.00826	3.8
83.01332	5.3
83.04971	14.7
83.08614	10.7
85.02921	18.8
85.06553	5.6
91.03939	4.4
91.05471	53.1
93.07046	53.8
95.01321	10.2
95.04977	45.3
95.08621	41.3
97.02900	8.6
97.06510	15.9
97.10146	6.3
99.08099	4.4
101.59099	3.6
103.05479	5.4
105.07038	43.9
107.04955	25.2
107.08605	30.6
109.02880	5.2
109.06513	21.8
109.10162	13.8
111.04424	11.4
111.08083	6.4
113.02347	4.0
117.07010	22.8
119.04945	12.8
119.08592	37.8
121.02850	12.6
121.06515	36.1
121.10163	25.8
123.04495	19.0
123.08080	9.0
123.11655	4.6
125.02343	10.9
125.09535	5.3
127.03888	5.9
128.06252	6.7
129.05486	9.5
129.07019	22.0
129.50206	3.6
131.04921	7.9
131.08574	19.3
133.06464	17.2
133.10150	20.7
135.04413	10.3
135.08083	18.7
135.11707	16.0
137.05974	8.5
139.03905	5.8
141.06874	5.0
143.08540	11.4
145.06454	8.6
145.10118	15.5
147.04410	29.3
147.08057	10.3
147.11679	14.4
149.06001	8.2
149.09615	8.9
149.13245	15.5
151.03911	16.5
159.04448	4.8
159.08003	4.4
159.11723	17.7
161.05998	10.2
161.09674	8.8
161.13255	8.7
163.03934	18.7
163.11191	8.6
165.05452	8.9
165.12735	6.1
167.07051	9.9
168.78928	3.9
169.10071	8.1
171.11687	15.7
173.06004	5.6
173.13239	6.7
175.07594	5.3
175.10997	3.7
177.05560	19.0
177.12767	19.7
179.08588	3.9
179.14317	4.5
183.11600	4.4
187.07457	5.7
187.11125	5.2
189.12695	10.8
191.14331	8.7
195.13840	5.5
197.13197	7.1
199.11174	7.0
205.12233	9.0
207.13829	61.9
209.04497	8.0
209.15250	4.6
211.11255	3.9
215.14346	9.1
219.10207	14.6
219.13943	7.0
223.13341	4.8
225.12723	4.8
233.15298	11.2
243.13838	9.6
245.15338	8.3
247.13213	4.7
261.14874	46.4
269.13708	7.2
271.13239	5.8
279.15875	5.7
281.11853	5.6
289.14401	86.4
291.15817	6.8
299.12872	5.2
307.15448	100.0
317.13766	8.6
325.16437	52.7
329.10266	6.0
335.14920	73.8
353.15793	11.7
371.15573	4.1
371.24631	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.9
55.01863	2.4
55.05505	3.4
55.75968	0.8
57.03423	2.6
57.07065	1.2
59.05008	1.1
61.02922	1.9
67.05502	5.2
69.03434	5.0
69.07053	3.3
70.06593	4.6
71.04987	3.9
71.52565	1.3
72.08157	1.1
73.02927	1.2
73.04752	0.8
73.95448	0.8
79.05496	2.8
81.03405	1.8
81.07076	4.7
83.04980	2.8
83.08590	1.2
84.04498	1.9
84.08141	2.1
85.02911	17.6
85.06541	2.6
86.09705	2.0
91.03951	1.1
91.05486	4.1
93.07045	10.3
95.04980	2.6
95.08614	47.2
95.98003	0.8
97.02882	6.1
97.06528	10.5
97.10144	1.1
99.04426	2.4
99.08079	2.1
101.03944	0.9
101.06034	1.3
105.07041	8.6
107.04965	1.8
107.08598	10.7
109.02915	1.2
109.06518	2.4
109.10172	5.2
111.04423	1.2
111.08096	3.6
113.05974	1.6
115.07555	1.9
117.07019	1.5
119.04911	1.6
119.08593	5.0
121.06480	1.4
121.10159	10.4
123.04443	2.7
123.08074	2.2
123.11703	2.9
125.09631	1.7
126.24525	1.0
127.03899	3.7
128.18513	1.0
129.05481	1.2
129.09184	0.9
131.08562	8.7
132.90218	0.9
133.10141	100.0
134.10484	1.1
135.08037	4.0
135.11702	3.2
137.05975	1.9
139.11189	1.5
143.08557	2.6
144.09343	1.5
145.04941	4.0
145.10121	4.5
147.04402	1.8
147.11740	4.4
149.06001	1.0
149.09599	3.7
149.13246	5.6
149.14244	0.8
151.03906	3.1
151.11192	10.4
158.10924	4.5
161.09584	0.9
163.06097	0.9
163.14818	6.5
165.05469	1.9
167.07115	1.9
171.11771	1.1
173.13278	29.3
174.13612	1.3
177.05443	1.3
191.14319	40.0
193.66516	0.8
207.06499	1.1
208.05971	1.0
209.04561	2.0
209.06314	1.2
209.08151	1.9
209.15419	8.9
219.10149	2.7
229.39371	1.0
285.00912	1.0
321.62479	1.0
329.07959	1.3
335.22275	1.1
353.13327	0.9
355.07169	1.4
371.16330	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	3.0
55.01876	3.5
55.05507	9.6
57.03428	7.2
57.07056	4.3
61.02919	4.5
67.05507	14.4
69.03429	12.3
69.07068	15.1
71.04984	14.1
79.05492	11.8
81.03429	6.9
81.07057	26.9
83.04961	5.6
83.08614	5.9
85.02905	27.7
91.05436	11.6
93.07043	23.6
95.04967	11.3
95.08615	28.3
97.02883	14.2
97.06529	9.0
97.10195	2.7
99.04444	6.1
101.06006	5.7
105.07031	16.4
107.04943	3.9
107.08593	48.1
109.02893	4.5
109.06512	5.6
109.10160	16.4
111.04439	5.1
111.08080	5.1
114.84814	2.1
117.06980	2.6
119.08598	15.5
121.06507	6.6
121.10154	36.6
123.04423	2.8
123.07983	4.9
123.11701	13.5
125.09645	3.2
127.03889	4.3
129.05505	5.4
129.07059	3.6
131.08595	11.2
133.10135	28.4
135.08058	44.5
135.11682	20.3
137.09535	3.6
139.11176	5.6
143.08513	2.5
145.04955	5.5
145.10143	6.1
147.04433	2.4
147.06511	3.4
147.11673	12.4
149.09625	18.5
149.13281	4.7
151.11172	9.2
156.51186	2.2
159.11705	2.4
161.13246	12.7
163.11241	4.2
163.14824	47.2
163.16115	3.8
165.12749	5.0
167.07051	10.3
173.13249	19.0
177.05551	2.7
179.14369	13.1
181.20486	2.1
187.07587	3.6
191.10703	4.5
191.14307	100.0
209.15364	66.7
233.15475	4.7
279.13522	3.8
285.00952	3.1
299.30566	2.9
335.18707	3.1
353.13803	3.6
353.19611	4.1
371.10938	2.6
371.15027	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39324	1.2
53.03944	2.0
55.01863	1.6
55.05514	3.5
57.03448	2.3
61.02915	2.0
63.25842	1.5
65.96543	1.2
67.05505	4.3
69.03419	3.7
69.07059	3.2
70.06606	1.5
70.69305	2.4
71.04996	3.8
79.05494	2.3
81.03433	2.5
81.07068	11.6
83.04985	1.9
83.08632	1.7
85.02894	11.2
85.06554	4.5
86.09720	4.3
87.04446	1.3
91.05477	11.4
93.07063	10.7
95.04961	5.4
95.08582	6.9
97.02892	2.7
97.06530	9.8
99.04445	2.0
99.08074	2.9
105.07040	25.2
107.08629	9.9
109.02937	2.8
109.06550	2.7
109.10171	4.4
111.08109	4.8
117.07041	2.4
117.31242	1.2
119.04955	3.9
119.08596	10.9
121.10130	7.5
123.04436	21.8
123.08053	1.8
123.11742	1.8
127.03861	1.8
129.07016	2.4
131.08574	28.8
133.10135	100.0
135.08063	3.8
135.11676	3.7
136.86787	1.4
143.08583	4.4
145.10146	8.5
147.04427	12.1
147.11700	8.7
149.06041	1.8
149.09647	4.1
149.13269	4.9
151.03903	30.1
151.11137	2.8
153.09154	1.9
153.64032	1.3
157.10155	1.6
158.10934	5.4
161.13327	1.6
163.14836	4.2
165.05472	7.9
173.13275	62.3
174.13608	1.4
175.14845	2.1
177.05508	2.4
191.14319	49.1
209.15399	6.0
219.10158	28.8
281.84131	1.5
303.08603	3.7
353.13596	1.4
371.14746	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77900	2.5
52.58982	2.6
53.03938	3.2
53.96783	2.7
54.72710	2.5
55.01863	3.5
55.05508	8.0
57.03434	3.3
57.07063	7.9
59.04719	3.6
59.05003	54.6
60.05324	7.8
65.03948	5.3
67.05515	5.3
69.03416	9.1
69.07063	5.5
69.16544	23.3
69.16952	5.2
70.06592	3.3
71.04976	11.1
75.18095	2.9
79.05479	6.0
81.03395	4.4
81.07072	13.8
83.04983	4.8
83.08587	4.3
85.02892	12.6
85.06545	7.0
86.09724	3.2
91.05481	100.0
93.03391	3.6
93.07069	13.3
95.04948	8.3
95.08624	16.8
97.02859	7.9
97.06509	7.6
97.10146	4.6
97.42265	3.0
97.51853	2.8
101.05999	3.5
105.07050	14.9
107.04959	5.1
107.08607	14.6
109.06536	6.5
109.10146	11.3
111.04472	6.5
111.08088	5.2
115.11201	6.7
116.11519	4.3
119.04912	3.2
119.08578	8.1
119.51569	2.6
121.10166	19.0
123.04431	13.9
123.08015	4.0
123.11758	3.1
123.62637	2.7
127.03904	3.6
129.05473	6.7
131.04893	3.0
131.08548	9.7
133.10132	45.2
135.08038	14.6
137.06015	3.9
137.09625	3.9
139.27055	3.0
145.10056	4.7
147.04387	9.1
147.06543	2.7
147.11693	8.3
149.09589	6.8
149.13246	9.0
151.03900	9.6
151.11234	3.2
157.12244	3.7
163.04013	3.7
163.11092	5.7
165.05489	3.6
167.03406	4.0
167.06921	3.5
173.13229	12.7
174.15773	4.0
175.03877	3.0
177.12746	2.7
191.14296	29.3
191.16328	8.3
192.16788	18.9
197.71596	3.0
209.04440	6.6
209.15329	10.1
219.10138	11.3
227.06937	2.8
239.07039	8.9
255.06401	3.0
273.07077	2.9
293.07996	4.1
293.48096	3.4
317.07639	4.3
323.09064	10.4
334.51102	3.0
335.09030	5.2
335.22052	4.6
339.12311	5.2
340.40121	2.9
353.10242	6.7
355.24484	2.8
369.10559	3.6
371.00504	9.0
371.14783	7.8
371.20023	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	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05506	2.1
60.16720	1.1
67.05511	2.2
67.37890	1.1
69.03426	3.7
69.97704	4.6
79.05486	3.0
81.07068	5.9
83.08647	1.3
85.02914	1.8
91.05491	3.3
93.07057	2.4
98.20839	1.7
105.07050	4.8
107.08606	16.4
109.06524	3.4
109.10177	4.8
111.08081	2.2
117.07014	1.5
119.08562	2.7
121.10165	6.6
122.07310	4.3
123.04440	1.3
131.08556	1.6
133.10139	100.0
135.08044	9.5
137.09624	65.4
147.11699	1.8
149.12247	1.3
149.13217	8.0
151.03886	1.7
163.14909	1.3
173.13274	4.9
187.84875	1.3
191.14320	42.6
209.15419	5.3
219.10051	1.8
371.72018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	7.6
54.12289	2.7
55.01868	3.3
55.05514	27.3
57.03439	9.4
57.07080	19.0
59.04972	3.3
61.02929	6.1
67.05514	15.9
69.03433	32.0
69.07073	33.9
70.06602	9.5
71.04999	9.6
71.08639	4.1
71.51981	3.3
71.52396	3.3
72.08157	3.4
79.05502	28.3
81.03433	14.7
81.07060	83.4
83.04988	26.2
83.08623	68.6
84.08152	3.7
85.02905	34.1
85.06539	11.9
86.09708	9.7
91.05427	18.0
93.07048	46.0
95.04974	18.3
95.06121	2.9
95.08614	24.0
97.02890	14.9
97.06518	17.6
99.04464	11.0
101.06036	3.7
101.31647	3.3
105.07030	42.6
107.08598	54.0
109.02132	3.4
109.02879	9.3
109.06521	80.5
109.10149	48.7
111.04454	4.7
111.08089	24.1
117.07025	4.3
119.08604	19.7
121.06523	5.1
121.10154	44.8
123.04421	6.7
123.08049	8.4
123.11711	31.0
125.09622	4.0
125.13271	12.9
127.03941	21.3
127.07594	3.3
129.05505	8.6
129.09155	3.3
129.10213	3.3
131.08566	26.0
133.10135	91.8
133.11110	5.9
135.08043	34.4
135.11720	7.2
137.05952	3.1
137.09668	5.1
139.07619	3.2
139.11240	4.6
143.08640	4.1
145.04956	6.4
145.10143	12.6
147.04431	5.2
147.06599	3.1
147.11714	15.9
149.09666	4.7
149.13280	57.7
151.03940	6.9
151.11218	14.4
153.09160	14.1
158.10913	5.4
161.13397	3.8
163.03908	2.9
163.11148	3.9
163.14850	11.7
165.12840	4.7
167.07037	8.1
167.14323	72.8
169.12251	12.2
171.10226	8.3
173.13269	48.4
173.14685	3.2
174.13727	3.1
175.11130	3.5
190.68918	2.8
191.10635	4.0
191.14313	100.0
193.12291	7.0
209.04459	9.8
209.15408	59.6
227.16412	7.0
245.25752	3.1
335.18356	4.6
353.19711	8.5
371.12296	5.6
371.16711	40.2
371.20825	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.05511	20.8
55.05728	3.7
57.07058	9.0
57.60667	3.6
58.33451	3.2
65.03907	3.9
67.05508	35.0
69.07058	14.9
71.08614	4.7
79.05495	34.5
81.07064	47.0
83.04974	15.5
83.08601	10.4
85.06512	6.0
91.05489	32.3
93.07054	100.0
95.04967	8.8
95.08610	54.9
97.06544	21.6
98.20757	11.8
101.06009	7.2
104.68581	3.4
105.07035	55.2
107.08588	38.0
109.06554	6.2
109.10153	27.9
111.08073	4.4
117.07017	14.4
119.08588	74.1
121.06466	4.9
121.10150	37.7
123.08060	11.2
123.11694	11.8
128.06207	6.7
129.05510	4.4
129.06996	14.4
130.07823	4.6
131.08572	32.6
133.10133	56.9
135.08058	10.1
135.11673	15.2
137.09593	6.5
139.07541	62.7
142.07805	10.3
143.08565	25.5
144.09373	5.9
145.10147	42.2
147.06532	5.4
147.11664	13.6
149.09616	11.8
149.13249	5.5
155.08545	8.6
156.09369	9.4
157.10159	32.2
158.10977	6.5
159.11726	31.3
161.09668	8.6
161.13303	6.6
163.14857	4.7
165.09148	7.8
169.10130	12.6
170.10793	6.2
171.11681	11.4
173.13243	20.6
175.11305	4.7
175.14819	28.1
181.10115	10.3
183.11684	14.4
185.13293	9.4
187.11349	4.9
187.14906	19.0
189.16301	8.1
193.10176	7.1
195.11696	13.7
196.12508	4.7
197.13245	11.1
199.14807	11.5
205.12297	5.2
209.13203	12.2
210.14168	4.0
211.14941	5.9
213.12708	8.9
217.15941	5.0
221.13269	5.2
223.14838	11.0
224.78947	3.7
225.16440	4.7
231.13771	6.2
237.67216	4.2
251.17935	3.9
261.22110	6.4
265.19482	9.5
268.26266	15.7
295.73169	3.9
350.17767	5.7
353.24319	4.8
371.25760	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.113
Annotation	Randioside
Peak:m/z	Relative Intensity
50.46061	0.3
51.37363	0.3
55.05514	0.3
56.05056	0.4
56.27251	0.2
59.37709	0.2
67.01867	0.5
68.99805	0.4
69.03440	1.4
69.07087	0.4
69.77002	0.7
69.77417	0.6
70.06596	1.2
72.08156	1.9
81.03424	0.5
84.04514	0.6
84.08154	6.4
84.08633	0.5
85.02912	3.5
86.09720	4.1
95.06122	0.2
97.02907	0.8
98.09711	1.1
98.21436	0.3
100.11298	0.3
101.07209	0.3
109.02906	0.4
116.07112	0.6
127.03930	6.1
129.10255	4.9
137.06018	0.3
144.06595	0.4
145.02853	0.9
145.05022	0.4
145.30421	0.3
151.03920	0.8
153.01843	100.0
154.02228	0.6
157.13408	0.3
161.09270	0.3
163.03835	0.4
165.05470	0.3
169.04979	2.1
175.07332	0.2
177.05475	1.9
193.04985	1.2
195.06592	0.8
201.05437	0.5
203.05251	0.3
208.14259	0.3
211.06033	57.5
223.11879	0.8
226.89108	0.3
241.12895	0.6
242.18561	0.5
325.10724	0.3
373.14343	0.7
373.18527	3.4
373.28214	1.5
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	Deacetyl asperuloside
Peak:m/z	Relative Intensity
50.35583	0.3
53.03940	1.2
54.49825	0.3
55.01866	1.1
57.03442	2.0
59.04972	0.4
61.02932	3.5
67.01863	1.1
69.03436	10.5
71.04984	1.0
72.08151	0.6
73.02913	1.7
80.48737	0.3
81.03429	4.2
83.01334	0.4
84.04540	0.3
84.08125	0.5
85.02911	25.0
86.09718	2.1
86.10161	0.3
87.04468	1.4
91.03989	2.0
91.04431	0.4
91.05489	1.6
97.02298	0.5
97.02900	9.3
99.04446	1.4
109.02888	2.7
109.06503	0.5
115.03957	0.3
119.04952	2.6
127.03934	5.9
131.11853	0.5
137.05980	1.3
140.59085	0.3
143.11800	0.6
145.04976	5.6
147.04419	9.6
151.03897	0.4
155.03426	0.5
165.05499	2.7
169.04964	1.8
175.03938	3.6
183.06525	1.3
189.76823	0.3
191.56596	0.3
193.04984	16.7
211.06029	100.0
212.06406	0.9
242.15044	0.7
292.68903	0.3
313.11707	0.9
341.11270	0.5
373.13782	1.4
373.18451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22540	0.3
53.03937	1.2
55.01863	1.2
55.05497	0.7
57.03450	2.1
61.02934	3.5
65.03909	0.4
67.01870	0.6
67.05492	0.9
69.03435	11.8
69.07061	0.8
71.04991	1.6
71.52834	0.3
73.02914	1.9
79.05478	1.1
81.03426	4.1
81.07057	1.6
83.04992	0.4
83.08639	0.4
83.53103	0.3
84.04462	0.4
85.02913	26.3
86.09719	4.0
87.04495	1.7
87.10046	0.8
91.03954	1.5
91.05488	2.7
93.07042	1.6
95.04964	0.4
95.08607	1.0
97.02900	10.3
97.10175	0.8
99.04453	2.0
102.50946	0.3
105.07027	0.8
107.04912	0.4
107.08620	1.4
109.02885	2.7
109.06507	0.6
109.10150	0.6
111.08063	0.3
119.04954	2.7
119.08614	1.3
121.10149	0.7
121.61886	0.3
123.04438	0.5
123.11701	0.6
123.68264	0.3
125.02425	0.4
127.03932	5.6
129.10202	0.3
133.10214	0.6
135.11681	1.6
137.06013	1.6
139.11217	0.3
139.76665	0.3
145.04976	5.2
146.11769	0.7
147.04431	9.7
147.11766	0.4
151.03914	0.8
155.03441	0.5
165.05522	2.7
165.12752	0.3
169.05016	1.7
175.03917	3.9
175.14810	0.9
183.06599	1.5
193.04993	18.0
193.15895	0.5
199.18030	0.9
211.06032	100.0
212.06311	0.6
224.09148	0.3
227.17516	0.6
228.17854	0.4
267.11319	0.6
292.12698	0.4
301.21729	0.4
303.08408	0.3
313.11807	1.1
373.14703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1129
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
53.03960	2.0
55.01862	1.4
57.03437	2.4
61.02647	0.4
61.02928	4.1
65.77837	0.3
67.01863	0.6
67.05479	0.3
67.46810	0.3
69.03434	11.3
69.03810	0.6
71.04982	1.2
73.02913	1.5
79.05499	0.6
79.17659	0.4
81.03429	3.8
81.07048	0.8
85.02908	25.8
87.04494	1.8
91.03951	1.7
91.05473	3.2
94.39890	0.4
95.53365	0.4
97.02898	8.5
98.20764	1.5
99.04455	1.8
109.02857	3.1
109.06511	0.4
109.10120	0.6
119.04948	4.3
123.04444	0.5
127.03926	4.9
127.68802	0.4
135.11699	0.4
137.05981	1.6
139.81465	0.3
145.04964	5.7
147.04408	11.6
151.03899	1.4
165.05458	3.5
169.04933	1.8
169.19380	0.4
175.03931	4.1
183.06557	1.2
193.04973	18.0
193.06763	0.9
210.09398	0.4
211.06018	100.0
212.06122	0.4
221.11708	0.4
221.24034	0.4
235.81818	0.4
250.47577	0.4
277.07449	0.4
303.05099	0.7
316.70337	0.4
357.24164	0.4
373.14407	0.6
377.01602	0.9
395.02499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1133
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
52.21485	0.2
53.03951	0.9
55.01875	0.9
55.05496	0.2
57.03193	0.2
57.03437	2.1
59.05006	0.2
61.02927	3.6
67.01853	0.7
67.05507	0.3
69.03432	10.0
69.07065	0.2
70.06564	0.2
70.08179	0.8
71.05004	1.1
73.02921	1.3
79.05486	0.6
81.03424	4.0
81.07056	0.9
83.01331	0.3
83.04966	0.4
84.04472	0.2
85.02910	22.4
86.09705	0.4
87.04474	1.3
91.03969	1.6
91.05489	2.4
92.88086	0.2
95.04984	0.4
95.08596	0.4
97.02901	8.5
97.03529	0.4
97.10173	0.2
99.04443	1.2
105.06985	0.2
107.08530	0.3
109.02892	2.6
109.06499	0.4
109.10124	0.2
111.79854	0.2
119.04939	2.8
121.10105	0.3
123.04435	0.5
125.02382	0.2
127.03924	5.3
137.06003	1.3
145.04971	4.6
145.86919	0.2
147.04417	9.0
151.03911	0.5
155.03438	0.3
165.05472	2.6
169.04967	1.6
175.03932	4.5
183.06570	1.3
191.56137	0.2
193.04974	18.9
194.05370	0.4
211.06020	100.0
212.06374	0.8
239.11896	0.3
313.11798	0.7
344.23145	0.2
365.34888	0.2
373.14682	1.0
373.25082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1908
Annotation	Biocytin
Peak:m/z	Relative Intensity
51.21032	0.6
56.05032	2.5
57.03477	0.7
57.99049	0.6
61.04027	0.9
61.32092	0.6
67.05515	1.0
70.06590	2.7
71.51769	1.1
72.08157	1.3
79.05477	0.7
80.13854	0.7
81.03455	0.6
84.04514	1.4
84.08147	100.0
85.02897	2.5
86.09721	4.6
91.05838	0.9
95.04976	0.7
95.08672	0.8
97.01077	1.2
97.02938	1.2
97.04009	3.5
99.08034	0.8
105.07053	1.0
113.69920	0.8
116.07088	1.3
117.03352	1.1
122.90321	0.8
123.02666	2.3
123.04487	0.9
127.03964	0.8
129.10263	0.8
130.05028	0.8
130.08676	3.5
139.05763	1.0
145.02861	1.3
147.04417	0.9
151.07516	0.9
163.03886	0.8
166.06880	2.3
167.05196	1.1
177.05446	3.3
184.07988	1.3
192.04941	1.1
193.04956	1.8
195.06589	2.1
198.09102	1.1
199.09306	2.3
202.43312	0.6
206.08086	1.1
209.07500	1.4
211.06023	0.7
216.06599	1.2
227.08493	44.6
227.56552	0.7
234.07504	0.9
244.04083	0.8
310.15839	33.7
337.10300	1.3
355.06631	1.3
373.15027	3.5
373.19046	78.8
374.19186	0.9
394.57092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.0
55.05278	2.8
55.05521	30.2
56.96556	6.8
57.03442	4.0
57.07078	3.2
58.09154	2.1
58.93055	2.4
61.02912	2.9
65.03960	2.2
66.69238	2.2
67.05505	21.7
69.03444	16.7
69.07073	19.5
70.06599	2.6
71.04989	6.0
71.47778	2.1
71.52417	4.2
74.75894	2.9
74.84855	2.5
79.05497	12.7
81.03426	8.4
81.07059	38.0
83.04997	6.7
83.08606	5.1
85.02911	31.2
85.06531	13.6
86.09727	4.0
89.03916	4.1
91.03989	2.7
91.05476	11.9
93.07053	27.3
95.04950	12.4
95.08612	29.9
97.02889	14.7
97.06532	11.1
97.10175	51.7
99.04494	2.6
99.08096	3.5
101.05999	7.3
105.07024	13.5
106.25347	2.6
107.04919	4.1
107.08601	31.4
109.02866	2.2
109.06520	7.5
109.10166	31.2
111.08099	24.3
116.28893	2.2
117.03396	6.1
117.07063	2.6
119.04914	5.4
119.08597	13.6
121.10160	15.5
123.04401	3.1
123.08064	5.0
123.11700	9.4
125.09644	10.3
127.03915	6.5
131.08534	6.6
133.10138	9.6
135.04439	7.3
135.11697	12.7
137.05971	4.4
137.09627	4.3
137.13301	3.1
139.11182	9.1
143.08458	3.1
143.10660	17.3
145.02869	7.3
145.04974	7.1
145.10109	6.6
147.04445	13.3
147.11693	8.6
148.05113	3.9
149.09647	3.2
149.13280	8.1
151.03908	6.0
151.11180	9.3
153.12761	6.2
155.10733	4.1
157.10028	3.0
159.11696	6.0
161.09592	3.2
161.79448	2.3
162.16600	2.5
163.03926	45.0
163.11166	3.1
163.14854	4.0
165.05490	4.2
165.12753	5.2
167.10678	2.6
167.14331	16.8
169.05055	3.0
170.14767	2.7
173.13199	3.3
175.03989	4.3
175.11177	4.5
175.14868	3.1
187.14919	3.5
189.11218	4.0
193.05034	17.9
193.12248	7.9
201.16463	3.0
203.14439	4.0
211.06029	100.0
212.06351	4.2
216.14687	5.4
237.00858	3.3
239.16269	3.8
255.01855	4.8
283.93744	2.8
283.97360	2.6
287.05539	24.4
291.22980	4.1
301.21616	8.5
307.22610	4.3
319.22653	26.0
321.06158	3.8
325.00085	3.2
337.16702	5.0
337.23718	25.8
343.01367	7.5
355.17715	3.6
355.24915	5.6
361.02267	38.9
362.02795	2.9
364.18719	3.0
373.14114	4.2
379.03406	11.4
384.03534	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
53.33212	0.5
55.01858	0.7
56.47688	0.6
57.03436	1.3
61.02915	2.1
63.20989	0.5
63.56057	0.5
69.03436	3.3
69.20496	3.8
69.20905	0.9
70.06593	0.7
70.24532	0.5
72.08145	0.6
73.02908	1.3
81.03416	2.2
85.02906	16.6
86.09728	0.5
87.04449	0.5
89.03909	2.9
91.03936	0.9
91.05470	0.6
93.90408	0.5
97.02895	4.8
99.04477	1.2
105.88699	0.6
109.02878	0.8
117.03382	13.4
127.03908	2.9
134.03627	1.8
135.04384	1.1
145.02852	40.7
145.04797	5.4
149.05988	7.3
153.05513	0.9
162.03050	0.8
163.03954	3.2
177.05473	100.0
178.05841	1.5
180.08684	2.4
193.04977	0.6
195.06538	60.2
211.05959	0.8
212.06396	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.7
61.02924	1.0
65.03957	0.4
67.05495	0.5
68.71136	0.5
69.03440	2.4
69.33628	0.4
70.06586	1.2
71.03242	0.6
71.03584	0.7
72.08150	1.3
79.05482	0.8
81.03419	0.9
84.04503	0.5
84.08127	0.9
85.02917	6.3
86.09702	2.6
87.04463	0.5
89.03913	4.2
91.05472	1.8
93.07059	0.4
95.04967	0.6
97.02888	1.8
99.28630	0.4
104.86961	0.5
105.03413	0.4
105.07016	0.7
107.04955	0.7
107.08597	0.4
109.02898	0.7
109.14394	0.6
117.03378	12.2
119.04942	1.0
121.06444	0.4
123.04427	8.3
124.07577	2.6
127.03933	1.3
134.03621	1.5
134.06009	0.7
134.57666	0.4
135.04408	1.8
142.08609	0.6
145.02852	37.0
145.04848	1.3
147.04402	1.9
148.04810	0.7
149.05997	6.7
150.09160	1.8
151.03893	0.6
161.05942	0.7
162.03162	0.7
163.03909	3.6
164.04326	0.6
175.03938	1.2
175.07533	0.6
177.05478	100.0
178.05838	1.2
180.08720	0.9
186.05486	0.6
189.05553	0.7
193.04961	1.3
194.05296	1.2
194.08073	0.8
195.06540	39.7
198.04564	0.4
201.05452	0.9
204.10181	0.5
205.04999	4.8
211.06053	4.4
212.06407	7.6
212.12856	2.5
217.04973	1.7
217.08665	0.4
222.07658	6.1
222.11215	2.6
229.04823	0.8
234.07602	2.3
246.07713	1.0
264.34012	0.4
311.08984	1.4
327.81778	0.4
339.08762	0.8
356.11212	0.8
357.09409	0.5
360.23813	0.5
374.15860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99480	0.3
53.03898	0.4
53.96468	0.3
55.05468	0.4
61.02877	0.4
69.03338	1.3
69.07017	0.4
70.03716	0.4
70.06500	1.0
71.52614	0.5
79.05441	0.7
81.03344	0.4
81.06976	1.1
81.07413	0.4
83.08557	0.4
84.04447	0.6
85.02820	1.7
85.03281	0.5
86.09712	3.6
87.36563	0.4
91.05427	0.4
93.06972	0.5
95.04893	0.4
95.08589	0.4
97.02882	0.5
98.03136	0.4
98.09600	1.5
98.98474	1.8
102.05471	0.5
102.18851	0.3
109.06444	0.6
109.10073	0.4
111.04427	0.4
118.06553	3.0
119.08520	0.4
125.00009	8.7
127.03886	0.4
130.04970	0.5
130.42061	0.3
132.07996	1.2
132.10139	0.4
133.08852	0.7
134.08472	0.3
140.10626	0.5
144.08099	6.1
145.04936	0.5
146.09639	0.7
147.04297	0.4
148.04645	0.4
151.03825	0.5
158.09650	2.3
159.10349	1.0
160.11131	0.8
162.09123	2.1
165.05460	0.7
172.11243	1.7
176.10681	1.5
176.14355	17.4
177.09106	0.4
177.11467	1.2
182.15350	0.5
183.15680	0.8
184.09659	0.4
190.12251	1.1
193.04933	0.6
194.05374	1.0
194.11729	0.4
202.15918	43.7
203.16211	0.4
211.06033	3.5
211.15195	0.6
212.06331	5.3
212.12846	0.5
215.13882	0.6
217.05070	0.5
219.27765	0.4
220.16971	100.0
221.17302	1.2
230.08424	0.5
243.13495	0.9
247.09145	0.4
248.09703	0.7
294.21289	0.3
300.13617	8.5
314.12271	1.2
329.46146	0.4
338.17969	0.5
338.21484	0.7
356.15302	0.6
356.23001	0.5
374.17468	21.9
375.17538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68845	0.2
53.78283	0.2
55.05507	0.3
56.05017	0.2
57.07078	6.2
58.06600	1.6
59.39394	0.2
65.15862	0.2
65.87361	0.2
68.05017	0.3
70.06596	15.0
70.91293	0.3
71.08633	3.0
72.08134	0.6
77.63126	0.2
78.31207	0.2
78.62054	0.2
84.08141	0.4
85.10176	1.1
86.09724	0.4
88.07635	20.5
89.06008	0.3
96.44872	0.2
102.09186	12.6
117.52243	0.2
132.10199	0.8
141.28587	0.2
146.11731	0.6
150.11243	0.9
201.53401	0.2
268.30023	0.7
286.31226	0.4
294.31491	0.3
312.32605	41.1
313.33005	0.9
330.33545	0.3
356.35199	3.2
356.53784	0.2
374.36292	100.0
375.36588	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
56.96579	0.9
61.02931	2.1
67.01845	2.3
68.99802	2.7
69.03422	2.2
70.06602	12.9
70.49183	1.5
70.49525	1.3
72.08157	3.0
78.35584	0.9
78.84910	0.8
81.03430	1.1
84.04498	3.1
84.08145	2.3
85.02920	2.5
86.09692	5.2
95.01353	2.7
97.02923	2.1
98.20793	1.0
101.02432	1.1
107.05005	1.2
109.02889	3.4
116.07104	18.8
119.01276	1.4
125.02358	2.7
127.03880	1.2
129.10286	1.3
130.08617	1.2
132.10179	1.7
137.02328	5.0
147.00833	1.3
147.04581	1.1
149.02350	1.1
153.01897	1.2
155.03514	1.4
163.00308	1.5
163.03850	1.0
165.01852	5.2
166.99817	1.2
167.03322	1.5
175.00285	2.7
177.05463	1.6
178.05824	2.5
179.03468	1.5
181.01312	7.4
183.02998	1.7
193.01344	25.2
195.02910	1.9
196.06914	1.3
199.02446	1.3
205.01302	1.6
209.00813	5.5
211.02390	100.0
213.07642	1.8
221.00906	1.3
223.02347	1.6
227.01894	3.8
229.03429	4.2
239.01949	9.6
249.03990	2.7
249.57834	1.1
251.01964	2.5
253.03404	1.1
265.03500	3.8
269.13049	1.1
279.01373	2.7
283.04498	2.3
293.02863	2.5
311.03970	7.5
329.05200	1.7
339.03461	8.4
356.07925	1.0
357.04456	3.4
375.05817	1.4
375.11005	0.9
376.26163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29256	0.6
53.00294	0.6
53.03935	0.9
55.01865	1.6
55.05492	2.4
57.03412	1.2
60.04506	0.8
61.02903	0.7
67.05492	1.8
69.03420	0.7
69.07055	2.7
69.28393	3.4
69.28807	1.7
70.02948	2.3
74.02441	0.8
76.02200	0.5
79.05505	4.9
81.07066	15.4
88.03500	0.7
88.03999	10.9
91.05484	1.0
92.05020	0.8
93.05766	2.2
93.07037	1.6
94.06572	1.4
95.08624	1.3
96.04499	0.9
97.06554	0.6
98.21532	1.0
99.00797	4.3
99.48780	0.6
101.82373	0.6
103.05504	0.8
104.03455	0.8
104.04986	1.7
105.03381	0.8
105.07022	1.8
106.06565	1.2
107.08560	0.7
109.06503	2.3
115.05450	0.9
117.05751	2.5
118.06541	3.3
119.07326	0.7
120.04479	7.9
120.08094	0.8
124.03992	0.9
129.06946	0.9
130.02875	2.4
130.05028	0.9
130.06526	16.7
131.07338	1.2
132.04436	2.6
132.08104	4.8
138.09154	6.3
142.06488	0.9
143.07295	1.4
144.08095	3.3
146.06007	19.6
150.09081	1.3
154.06520	1.8
155.07289	1.5
156.04448	1.9
156.08083	3.4
158.04646	1.1
158.06026	21.8
158.09657	5.7
159.06750	1.1
160.07587	0.7
162.05534	4.8
167.07300	2.9
168.08084	5.5
168.10164	0.9
169.08888	1.6
170.06010	9.8
172.07591	2.6
172.11218	1.8
173.12006	4.4
174.04100	1.0
174.05499	4.3
174.12799	6.6
180.08086	14.0
181.08824	1.4
182.05969	1.7
182.09653	2.1
183.06802	6.4
184.07588	16.7
184.11180	1.8
185.04703	6.1
185.08415	1.2
186.05511	7.7
187.08684	0.8
190.05031	1.7
193.08868	1.5
194.09631	4.9
195.10486	2.0
196.07590	5.8
197.08516	4.8
198.05472	2.7
198.09128	5.7
198.12778	5.9
200.07068	2.6
200.10774	3.2
204.06580	0.8
208.11241	8.1
209.11996	1.9
210.09213	0.7
210.11061	0.9
210.12805	6.5
211.06329	1.0
211.09985	0.8
211.22031	0.6
212.07094	2.4
212.10735	2.6
216.13857	2.1
224.07065	0.8
226.12274	50.1
227.12787	1.0
228.06625	0.8
228.13797	2.0
230.08176	0.9
236.10732	2.4
243.07648	2.7
243.14908	2.9
244.13312	1.4
252.12233	0.6
254.11775	40.3
259.60739	0.6
269.16553	0.8
271.14496	0.7
272.12814	100.0
273.13126	1.5
289.15387	0.9
313.15363	3.2
331.16513	5.4
357.14410	2.2
375.15445	3.6
375.30887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14200	0.7
67.37580	0.8
69.07053	1.0
70.06579	2.8
72.08157	5.2
72.67819	0.8
73.82935	0.7
74.06086	0.7
76.43220	0.9
84.04488	1.8
84.08140	7.4
85.02914	1.6
86.09715	5.1
88.04033	1.0
91.05447	0.9
93.07070	1.6
97.44316	0.8
102.05598	1.2
103.05474	5.5
107.04970	1.6
120.08112	100.0
121.08493	1.7
128.04987	3.5
129.10274	3.0
130.05043	1.3
130.08662	1.0
131.04936	3.0
144.10158	1.2
146.06020	42.8
147.04416	0.9
149.05934	1.6
161.12839	1.4
164.07082	3.5
166.08656	45.0
185.40118	1.0
192.06555	16.1
200.14063	0.8
201.12392	2.0
260.19687	1.5
286.33395	0.9
313.58429	1.0
322.14828	0.9
333.10153	1.1
375.22745	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	375.2381
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.89246	1.8
53.03944	4.6
55.01879	5.6
55.05510	17.7
57.03433	10.4
57.07070	4.2
59.04995	3.9
61.02922	12.9
67.05512	12.3
69.03080	3.1
69.03430	37.5
69.07071	37.8
69.18241	18.3
71.04990	9.0
71.08615	2.7
73.02916	6.5
79.05494	5.6
81.03426	14.9
81.07061	25.7
83.04981	10.1
83.08617	7.0
85.02908	93.2
85.06541	19.5
85.12318	1.5
87.04468	6.3
91.03964	7.3
93.07045	12.4
95.08608	39.5
97.02892	29.4
97.06531	5.4
97.10177	11.6
99.04454	8.1
99.08099	21.7
105.07028	2.9
107.08590	19.2
109.02882	12.0
109.10165	15.9
111.08105	3.7
111.11746	5.4
113.09647	5.3
119.08579	1.9
121.10151	36.5
123.11720	10.5
125.09643	4.9
127.03913	21.9
127.11214	2.4
135.11693	18.2
137.13266	20.2
139.11188	9.9
145.04985	20.3
149.02359	2.1
149.13275	6.7
151.14825	5.1
151.75330	1.7
153.12764	10.0
167.03416	2.8
177.16394	100.0
185.04491	3.9
195.02951	11.5
195.17450	45.4
200.13586	1.7
213.03943	26.1
213.06923	1.7
213.18495	64.2
214.04306	1.8
338.38635	2.1
375.23795	8.2
377.59326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.05508	17.9
57.07066	6.4
61.78896	5.1
64.89474	4.4
67.05511	34.9
69.07068	10.8
69.47920	21.7
69.48321	9.7
69.97681	4.4
77.21626	4.1
79.05496	39.1
80.18359	4.5
81.07062	55.7
81.68137	4.8
84.14215	4.1
91.05484	53.0
93.07047	88.8
95.04951	43.2
95.08613	47.1
97.06498	7.9
105.07038	100.0
107.08582	50.8
109.06525	13.3
109.10194	28.3
115.05479	6.7
117.07009	23.6
119.08580	93.7
121.06515	15.6
121.10149	80.2
123.08102	9.1
128.06262	6.0
129.07007	17.6
130.07784	8.3
131.08582	49.8
133.10141	49.8
135.11696	19.4
139.38734	4.4
141.07024	4.9
142.07790	17.8
143.08591	28.0
144.09349	9.7
145.10133	64.7
147.11690	17.9
155.08548	11.1
156.09317	9.4
157.10141	50.1
158.10873	6.8
159.08180	4.7
159.11684	34.1
161.09589	12.2
162.07358	5.0
167.08621	6.8
169.10149	21.5
170.10942	4.4
171.11705	16.9
173.13283	22.8
175.11160	6.0
175.14806	11.1
181.10153	7.9
183.11723	13.6
185.13184	8.7
187.11192	4.4
187.14857	17.8
188.85748	4.7
195.11711	15.4
197.13258	12.4
199.14891	10.3
201.16449	7.4
207.11760	8.0
209.13313	12.8
211.14835	8.7
213.16141	4.9
220.12260	4.8
221.13301	5.4
223.14948	9.0
225.16408	5.0
229.75682	4.2
235.14835	8.2
268.23004	4.8
352.59579	5.3
375.26749	42.9
375.30768	9.6
375.36371	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.05520	12.9
55.46076	2.1
57.07079	4.4
61.03010	1.9
64.52885	2.1
65.03920	3.9
67.05505	28.5
69.03416	2.5
69.07073	13.6
70.68954	3.9
70.69282	2.6
71.04993	3.0
79.05501	32.9
81.07065	48.1
83.04978	3.6
83.08624	3.9
91.05486	52.9
93.06483	3.9
93.07055	70.6
93.47643	1.9
95.04462	3.0
95.04984	34.1
95.08618	38.1
97.06525	8.7
103.05460	3.4
105.04538	3.4
105.07039	100.0
105.19073	2.1
107.04929	2.3
107.08602	42.4
109.06513	12.8
109.10158	26.0
112.88361	1.8
115.05431	6.4
117.07005	18.4
119.08582	76.3
121.06483	13.8
121.10150	68.4
123.08081	6.4
123.11690	4.4
128.06245	10.4
129.07021	15.3
130.07773	9.0
131.08572	48.1
132.09328	2.9
133.10139	43.5
135.08102	3.0
135.11737	12.7
141.06973	6.8
142.07787	19.1
143.08571	30.7
144.09334	9.7
145.10132	60.5
147.08020	4.3
147.11673	18.0
155.08607	10.7
156.09357	11.0
157.10147	45.1
159.08038	3.7
159.11700	32.7
161.09636	14.6
161.13284	6.4
165.06978	1.9
167.08533	6.5
168.09303	4.2
169.10162	14.3
170.10844	4.1
171.11710	15.9
173.13326	19.2
175.11220	6.9
175.14821	9.0
179.08600	5.0
181.10115	8.0
182.10878	4.6
183.11748	12.7
185.09712	2.4
185.13257	5.8
187.11183	5.3
187.14861	16.4
193.10112	6.5
194.10904	4.6
195.11653	8.9
196.12407	3.5
197.13358	10.2
199.14761	5.9
201.12793	2.7
201.16345	4.8
207.11668	5.3
208.12636	2.5
209.13295	11.3
211.14804	7.5
213.16382	3.3
220.12567	3.3
221.13237	5.0
223.14778	4.7
225.16405	4.0
235.14784	4.5
237.16545	2.3
239.18077	2.4
251.17995	2.7
253.15984	5.2
253.19464	4.0
265.19592	3.5
347.27139	3.0
357.25882	3.8
375.26855	28.6
398.60437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2746
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.03949	6.9
55.05533	23.8
57.07073	9.3
67.05512	28.9
69.03432	11.1
69.06799	4.1
69.07083	46.0
69.43630	35.5
71.04999	12.8
71.10212	4.3
71.92557	4.3
79.05506	26.8
81.07070	100.0
83.04991	8.6
83.08608	9.3
85.02879	6.8
85.06538	6.0
91.05483	19.2
92.13607	4.3
93.06579	5.9
93.07068	76.8
95.04989	24.4
95.08061	5.6
95.08620	59.4
97.06531	11.4
97.10193	23.7
105.07059	27.9
107.08608	48.7
109.06503	6.8
109.10178	53.5
111.08091	7.5
111.11752	9.0
119.08601	26.8
121.10153	45.8
123.08063	5.8
123.11720	55.2
125.09649	5.8
130.07643	4.8
131.08604	8.4
133.10097	19.4
133.24380	4.9
135.11719	33.7
137.09616	7.1
137.13251	13.2
139.11200	13.9
141.12741	6.2
145.10127	15.6
147.11719	26.2
149.13313	10.4
151.03954	10.1
151.11169	6.5
153.12709	13.5
157.12309	5.7
159.11719	13.9
161.13260	12.3
163.11220	8.9
165.12717	7.2
169.12248	10.2
171.13785	8.4
173.13196	7.0
178.93880	4.6
181.12112	5.5
187.13322	12.0
187.14868	6.7
189.57852	5.3
211.06021	5.8
253.68030	5.7
257.22784	9.3
271.66211	4.7
275.23679	13.5
291.23190	8.3
293.24844	11.1
303.23224	69.4
321.24146	19.3
348.67825	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	375.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
53.75436	1.4
55.01859	3.9
55.05513	16.7
57.03453	2.0
57.07052	5.8
59.04991	3.4
65.03918	1.6
67.05190	2.1
67.05512	30.7
69.03417	6.5
69.06727	2.2
69.07071	27.9
71.04979	6.1
79.05489	15.6
81.07063	100.0
83.04969	3.7
83.08627	10.1
85.06556	12.4
91.05471	9.9
93.07051	49.5
95.04967	4.4
95.08612	99.4
97.06520	6.5
97.10153	4.0
99.04420	1.6
99.08084	5.5
101.06006	4.6
105.07029	11.5
107.08601	38.0
109.06523	3.4
109.10165	61.1
111.08089	25.8
111.11752	9.2
113.09643	6.5
115.07595	2.1
119.04926	1.9
119.08591	11.4
120.08111	1.7
121.09338	2.1
121.10158	31.7
123.08087	3.8
123.11716	62.6
125.09620	4.7
127.11168	2.7
129.05467	3.3
129.09099	5.4
131.08595	3.0
133.10159	11.4
135.10791	2.1
135.11702	14.4
137.09628	18.8
137.13268	26.8
139.07544	6.1
139.11186	17.1
145.10136	2.1
147.08052	3.5
147.11659	6.7
149.09641	1.9
149.13268	42.3
151.03798	2.2
151.11197	8.1
153.12671	2.0
155.10699	11.7
155.14326	8.5
157.08607	5.6
157.12242	5.1
159.11667	2.8
161.09502	1.7
161.13284	8.2
163.14824	7.1
165.09122	28.1
165.12752	2.1
167.10695	8.0
167.14310	5.1
169.12186	4.0
173.11717	5.2
175.14877	3.4
177.09093	1.6
177.16400	4.2
179.06960	1.9
179.10712	3.2
183.10194	8.6
185.04434	2.0
185.10236	1.9
185.11755	24.7
187.13307	9.6
197.11758	2.2
201.11229	8.5
201.16481	2.4
203.12784	2.3
203.18048	2.0
205.19514	4.3
215.12804	3.5
223.20537	5.7
257.22635	2.9
263.23697	3.5
275.23587	4.5
281.24774	4.9
293.24713	11.4
303.23193	4.3
309.24246	8.4
311.25766	5.9
321.24249	19.5
327.25259	5.2
335.56241	1.5
339.25394	18.1
349.09421	1.6
357.26373	6.1
375.27338	2.3
385.33557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2743
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.03939	8.4
55.05511	25.8
56.11641	5.3
56.96583	5.3
57.03436	10.1
57.07071	5.1
61.02924	7.8
65.56576	5.1
67.05510	27.5
69.03417	18.9
69.07071	41.4
70.06593	5.6
70.84894	11.2
71.04983	22.6
79.05477	22.7
81.03411	10.0
81.07061	100.0
83.04971	20.0
83.08620	11.1
84.08139	5.9
85.02919	7.3
85.06535	8.1
91.03949	6.2
91.05490	28.1
93.07052	74.0
95.04962	20.3
95.08607	60.1
96.53967	5.6
97.06536	10.3
97.10160	20.6
99.83866	5.2
105.07042	36.2
106.99275	5.1
107.08593	35.3
109.06533	12.7
109.10152	49.6
111.08055	8.9
111.11696	5.3
117.06999	8.4
119.08566	23.6
121.10161	43.4
123.08096	8.0
123.11726	39.5
125.09632	6.2
129.07047	7.3
131.08542	10.0
133.10143	19.6
135.11673	39.4
137.13235	6.0
139.11131	11.1
145.10135	11.5
147.11690	17.9
149.13264	8.8
152.04269	5.1
153.12726	19.7
157.10226	6.0
157.12256	11.3
159.11720	13.9
161.13200	7.6
163.11217	11.4
171.13805	5.8
173.13371	5.9
177.12846	8.4
185.04585	9.4
187.13220	8.2
211.06171	7.4
211.67284	5.5
256.62711	6.3
267.09116	7.4
267.15701	5.6
285.10049	13.3
285.12973	6.0
291.23138	5.2
293.24622	7.0
303.23132	48.0
321.24274	9.0
333.13528	8.7
375.14566	8.3
375.21729	5.9
376.24716	7.1
381.78897	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	376.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
55.80982	1.4
56.05043	21.5
57.03433	1.6
60.04522	4.6
60.84237	1.1
69.03439	2.1
69.07059	3.5
70.06589	5.4
70.15300	2.6
70.15682	3.4
71.04945	1.3
72.08167	2.3
74.06085	29.3
76.91797	1.2
79.97344	1.3
81.07083	1.7
84.04509	50.7
84.08143	4.8
85.02901	5.0
86.09711	100.0
87.10019	1.2
88.07618	1.9
91.05521	1.4
97.02892	1.4
98.09654	1.3
102.05547	29.6
110.07172	1.7
113.07128	4.0
116.07104	36.5
120.08103	2.9
123.04423	1.4
129.06595	9.4
129.10245	2.1
130.05042	1.6
134.08136	87.5
137.05983	8.1
141.06610	5.0
144.06570	9.4
147.04420	4.4
148.06044	1.7
152.10664	5.9
162.07639	3.7
165.05568	1.3
169.13388	1.9
170.11775	6.1
177.05333	1.4
179.07072	3.6
187.14383	7.4
197.12872	18.8
201.12321	2.0
215.13928	47.7
225.12343	8.2
229.15482	5.0
233.13150	3.4
236.47556	1.1
243.13408	14.8
247.16689	2.2
250.14348	2.2
273.10773	2.2
294.10391	1.2
319.02225	1.2
340.18713	37.2
358.19836	8.2
376.12738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1459
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03943	1.9
57.03442	7.4
61.02935	3.2
69.03092	0.7
69.03437	11.1
69.88754	3.0
71.01355	2.2
71.05005	3.1
73.02921	1.9
75.04478	2.1
78.31540	0.6
81.03423	3.3
96.24953	0.7
99.04451	5.1
117.05470	1.4
121.27665	0.6
142.95956	0.6
145.07649	1.9
170.07152	1.5
172.08702	27.2
189.50720	0.7
190.09819	0.7
198.06651	6.4
200.08206	4.9
214.09735	0.7
216.07716	13.6
218.09363	0.6
243.08797	64.7
244.07082	0.8
303.40588	0.6
359.13586	3.4
377.14578	100.0
378.14780	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.196
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
55.05499	2.6
55.12176	0.6
57.03436	0.6
57.64783	0.7
67.05499	3.0
69.07057	2.1
69.79140	0.6
69.79456	3.8
71.04992	0.8
76.42991	0.6
79.05496	2.8
81.07060	7.4
83.04974	0.9
83.08629	1.1
89.03931	5.1
91.05482	2.8
92.15279	0.6
93.07040	2.8
95.08612	10.2
97.06528	1.2
97.10184	0.8
99.08054	1.0
105.07056	2.8
107.04951	2.1
107.08627	1.3
117.03376	6.4
117.07047	0.6
119.08605	4.1
121.10126	1.2
123.08098	1.0
133.10135	2.5
135.04425	14.3
135.11688	1.4
137.13223	1.6
145.02859	9.1
151.75659	0.6
161.13248	5.7
163.03917	100.0
164.04276	0.9
179.14288	1.6
181.04916	3.6
237.32034	0.7
374.44205	0.9
377.26855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.0
57.03429	3.7
59.01397	3.3
62.06335	3.2
62.11946	3.5
67.05503	31.5
69.03429	7.0
69.07074	23.1
69.59322	19.5
71.05006	7.9
78.63763	3.4
79.05499	15.7
81.03333	3.2
81.07059	68.1
83.04989	10.3
83.08625	17.9
84.13495	3.8
85.02912	7.5
85.06532	9.1
90.20048	3.2
91.05476	22.6
93.07047	24.4
95.08611	90.0
97.06532	20.1
97.10148	8.5
98.20802	7.9
99.08101	8.0
105.07035	28.3
107.08601	7.2
109.06548	5.4
109.10138	7.5
111.08077	7.2
115.07580	4.0
117.07088	4.1
119.08582	37.8
121.10158	12.0
123.08028	8.7
127.07549	5.4
132.37138	3.5
133.10123	26.7
135.11694	13.5
137.09590	4.2
137.13239	21.6
138.60405	3.5
141.09186	3.7
161.13266	98.2
169.56795	3.6
176.14413	6.5
179.14311	100.0
182.07318	3.5
197.15347	38.5
215.16461	5.6
292.39706	4.8
359.14670	5.2
377.24017	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	377.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.5
57.07068	6.5
62.68417	6.1
63.50122	6.6
67.05498	23.9
69.07069	42.5
69.49878	43.0
79.05505	35.6
81.07049	65.3
83.08611	13.0
84.57188	6.5
89.06017	28.3
91.05470	55.3
93.07040	77.7
95.04982	40.3
95.08613	75.3
97.06513	16.2
105.07032	100.0
107.08612	60.8
109.06503	18.5
109.10165	39.4
117.07031	12.7
119.08597	96.6
121.06494	18.4
121.10183	52.3
123.11685	15.0
128.06183	8.6
131.08563	28.4
133.08624	11.8
133.10136	46.9
135.11687	16.8
137.13283	10.5
142.07793	13.1
143.08568	19.2
144.09399	11.4
145.10150	43.3
147.11653	30.7
155.08559	13.0
157.10161	52.3
159.11765	42.3
160.12416	8.2
161.09613	19.6
161.13268	16.5
169.10097	17.7
171.11707	26.1
173.13268	11.0
175.11218	15.1
175.14734	12.4
177.16388	18.4
183.11661	17.4
185.13222	16.0
187.11252	9.9
187.14830	13.7
189.16428	8.2
194.13676	7.6
195.12215	16.3
197.13228	15.2
203.17964	16.0
209.13193	8.5
211.14740	15.6
213.16319	7.3
223.14925	8.3
225.16493	11.6
267.21234	7.3
377.28128	23.6
377.35712	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	377.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11443	3.7
55.05524	19.1
57.03427	6.2
57.07077	7.0
61.01158	20.4
61.04309	3.9
66.48786	3.4
67.05518	24.7
69.03433	9.4
69.07078	28.3
69.27349	35.4
70.06586	4.4
71.04981	5.6
76.49120	3.4
79.05502	15.2
81.03426	7.3
81.07063	100.0
83.08607	9.6
84.08134	15.2
85.02898	5.4
85.06541	7.3
86.06074	8.6
86.09692	5.7
91.05494	9.9
93.07051	25.3
95.04992	4.5
95.08620	55.3
97.06551	6.5
97.10181	16.4
99.08086	6.5
102.03782	6.8
105.07017	10.5
107.08601	25.1
109.06503	5.2
109.10148	24.0
109.62257	3.8
111.08091	10.3
111.11707	13.3
118.37962	3.9
119.08601	8.2
121.10139	14.9
123.11738	34.6
131.08609	5.5
133.10167	5.6
135.11694	11.0
137.13318	25.1
139.11180	11.6
147.11728	7.2
149.07455	11.4
149.13268	28.0
153.12766	4.9
155.14317	5.6
157.12239	11.0
159.08374	15.4
163.03879	5.1
163.14854	8.2
169.12187	6.4
180.60255	3.7
187.13321	12.5
229.13719	16.4
247.14732	36.5
277.25253	4.1
293.24774	10.9
305.24811	33.2
312.40103	3.8
323.25925	11.7
359.20004	13.9
361.60925	4.0
377.19833	6.5
378.18671	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93525	1.4
56.96560	1.1
64.25990	1.0
65.03937	2.2
69.03420	4.2
69.69765	3.8
70.06588	3.0
72.08153	1.5
73.02916	1.6
76.02200	0.9
77.69328	0.9
79.05478	1.5
81.03401	2.8
82.49204	0.9
84.04517	2.1
84.08136	1.5
85.02912	12.9
86.09666	1.0
91.05481	3.5
93.03420	7.4
97.02883	3.5
99.04475	1.1
100.74947	1.1
101.00876	1.1
102.05547	1.1
107.04949	4.1
109.02862	2.8
111.04449	23.9
112.02304	0.9
116.07137	1.7
119.01972	1.1
119.04942	2.2
123.06524	0.9
124.95479	0.9
127.03912	2.8
130.44182	1.0
135.04437	12.6
137.05981	6.9
139.03911	96.7
143.01920	1.3
145.04933	3.8
153.05458	13.6
162.07562	1.1
163.03946	6.5
176.82581	1.1
180.08672	2.7
181.04973	100.0
182.05281	1.5
194.70721	1.1
199.02391	1.4
199.06035	4.0
199.67615	1.1
245.05106	1.0
378.05188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3003
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.03939	1.9
57.07076	6.3
58.06598	1.7
61.48092	0.7
70.06213	0.9
70.06596	14.4
71.08621	1.9
76.50656	0.7
77.03923	0.9
85.10156	1.1
88.07634	18.9
90.38911	0.7
91.05455	0.8
95.04964	2.7
96.77960	0.8
102.09182	14.8
105.03398	53.9
127.89043	0.8
143.01532	0.8
149.05989	90.6
149.13287	0.7
194.72218	0.7
202.69292	0.8
256.26376	61.2
318.40152	0.7
358.16437	1.5
371.29266	0.8
378.30048	100.0
379.30258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27218	0.7
55.96031	0.7
56.05020	0.7
69.03400	1.2
69.07066	1.1
70.06602	10.6
71.06934	0.9
71.52288	1.2
72.08155	2.5
76.47343	0.7
84.04490	1.7
84.08147	2.4
85.02908	1.6
86.09721	5.0
93.07026	0.9
95.04968	0.7
110.07145	1.3
118.50622	0.8
120.08092	2.2
123.04449	1.1
129.10204	1.0
145.02917	0.9
176.98486	0.9
177.05443	1.4
185.04231	38.1
185.09203	0.8
217.04739	9.8
229.15454	1.3
234.18272	0.7
234.98944	1.8
242.69601	0.7
245.54910	0.7
247.86838	0.7
356.48416	0.9
379.02573	2.8
379.10025	100.0
380.10321	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1753
Annotation	Shinjulactone A
Peak:m/z	Relative Intensity
51.54877	1.3
54.57614	1.2
55.01883	2.3
55.05511	3.4
61.02971	1.2
65.46291	1.2
67.01881	2.5
67.05509	7.0
68.99798	2.0
69.03423	2.0
69.07062	1.8
79.05505	7.1
80.46619	1.1
81.03415	1.3
81.07058	8.2
83.01343	2.7
83.04983	1.2
83.08646	1.3
85.02923	1.6
87.29048	1.4
91.05486	4.4
93.03400	2.3
93.07059	6.5
95.04984	2.4
95.08630	3.9
97.02911	1.7
97.29967	1.2
98.20779	2.5
101.05936	1.2
103.05470	2.0
105.03420	2.5
105.07030	2.9
107.04965	4.2
107.08622	4.2
109.10139	2.0
117.07041	3.8
119.08620	1.4
121.06497	1.3
121.10162	3.5
123.04433	6.8
127.04008	1.4
131.04959	3.9
131.08531	1.4
133.10158	2.1
135.04390	3.4
135.11745	2.5
139.03923	5.7
143.03442	3.0
147.04422	2.0
149.06003	2.9
151.03931	10.0
151.24776	1.3
153.05554	2.4
155.03410	31.7
158.09462	1.3
159.04405	3.3
161.02419	2.4
161.06061	1.8
163.03903	14.6
165.05557	1.5
166.30121	1.2
167.03479	1.6
169.01410	1.4
169.04996	12.8
177.05544	7.1
177.12708	2.4
179.03409	38.4
181.04964	16.7
187.03937	5.1
189.05464	4.3
193.05037	1.9
195.06587	1.7
197.04471	48.0
201.05542	2.4
203.03409	9.7
203.07101	2.1
205.05000	12.9
207.06554	3.5
209.04462	2.0
213.05464	3.7
221.04459	24.5
223.06027	11.0
231.06522	2.7
249.07690	1.7
301.14359	18.2
319.15427	100.0
320.15540	3.1
325.14447	2.9
337.16397	10.4
343.15430	20.9
361.16464	56.8
379.17596	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.78141	1.3
55.05505	1.2
56.23697	1.1
57.03447	1.4
61.02926	2.5
62.40940	1.3
67.05511	17.7
68.50999	1.1
69.03429	4.1
69.07064	1.7
69.84937	6.0
70.06601	2.0
71.05012	1.4
72.08147	2.4
73.02900	1.2
74.06034	1.6
79.05482	1.8
81.03398	1.2
81.07068	14.3
82.29932	1.4
84.08132	1.2
85.02915	11.2
86.09708	2.9
91.05479	3.3
93.07046	4.0
95.04982	1.4
95.08624	10.9
97.02881	2.9
97.06525	1.5
99.04456	3.0
99.08089	1.9
105.07007	1.6
107.08578	3.2
109.06536	1.7
109.10165	60.8
110.10438	1.7
119.08578	3.4
120.08131	7.9
121.10145	2.9
123.11678	1.9
123.66181	1.2
125.05978	7.1
129.10243	2.2
136.07584	2.8
137.09625	100.0
145.04999	1.5
147.11745	2.6
155.10675	32.8
165.09125	50.7
165.12793	1.8
176.10591	1.6
183.10181	31.8
183.13705	1.8
201.11234	93.8
219.12309	2.3
221.12906	2.8
270.08038	1.3
337.37006	1.6
356.99014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
53.74576	1.0
55.01865	3.1
55.05502	5.3
57.07067	1.5
58.99576	1.4
59.04992	4.4
60.10202	1.2
61.02917	4.1
67.05505	5.6
69.03390	2.1
69.07057	3.9
70.06579	1.4
71.04983	2.4
71.52595	1.7
74.06094	1.4
77.20523	1.2
79.05493	7.0
81.07059	15.4
83.04961	1.1
83.08620	5.0
84.08057	1.1
84.13680	1.1
85.02909	11.1
85.06545	16.3
86.09694	3.6
91.05465	3.9
93.07051	6.6
95.08608	11.3
96.89996	1.2
97.02866	3.6
97.06499	1.8
99.04478	1.8
99.08090	2.3
104.10693	2.3
105.07029	8.1
107.08595	64.3
109.06546	8.6
109.10145	3.0
113.05985	3.1
119.08570	6.4
121.10149	43.4
123.08073	9.8
123.11707	33.9
125.09629	40.5
125.10563	1.7
127.03867	1.4
135.11688	4.6
137.08601	0.7
137.09612	20.4
137.13190	2.0
145.04985	1.7
147.10513	2.2
147.11687	44.0
149.25626	1.1
153.12744	2.0
165.12756	86.8
176.14343	1.3
177.14645	1.5
183.13817	100.0
184.07310	3.1
184.14211	1.5
197.96956	1.3
201.12981	2.6
201.14862	50.9
214.83813	1.1
237.03883	2.1
273.15164	1.8
280.58856	1.1
348.02060	1.4
362.20120	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	34.9
60.04554	11.7
70.06593	18.4
70.35860	27.5
70.36229	24.7
72.08130	19.8
77.40501	11.6
84.08129	18.2
84.96027	15.4
85.02914	23.4
87.87133	11.4
91.05466	22.7
91.17314	12.3
98.97587	85.4
110.97574	46.9
116.98612	28.1
119.04925	14.3
120.08112	45.0
128.98595	48.9
129.10201	13.9
138.54546	10.7
146.99658	19.7
147.04451	55.9
161.01219	19.5
163.03931	30.1
183.10138	18.5
219.01797	45.3
236.98735	12.8
237.02788	100.0
255.01741	23.7
260.98605	13.0
381.05789	92.0
381.12344	19.9
397.04495	12.4
399.06113	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37022	0.5
52.10891	0.7
67.28288	0.6
70.01698	2.1
73.46718	0.6
98.21420	0.9
100.26093	0.5
201.01631	2.5
217.92287	0.7
219.02676	2.4
368.30750	0.6
381.07968	100.0
382.08353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46598	1.8
70.01410	7.8
87.77395	2.0
98.21442	2.3
163.08278	2.3
201.01488	4.0
219.02684	4.2
265.65659	2.0
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
54.89511	2.1
55.01887	5.3
55.05513	33.8
59.33989	2.3
63.24651	2.0
67.05515	19.6
69.03437	14.7
69.07058	8.6
69.18206	24.0
71.04983	10.6
72.08144	8.6
79.05503	16.5
81.07050	10.8
83.04979	10.8
83.08623	43.5
83.09076	1.7
85.06509	2.5
87.04465	4.4
91.05479	20.1
93.07047	18.0
95.04977	69.2
95.08618	25.4
97.06536	36.6
103.05495	2.5
105.04508	2.2
105.07040	31.1
107.08598	39.6
109.06513	9.2
109.10155	9.2
111.08089	8.3
113.09662	18.9
115.05453	3.0
116.06201	2.9
117.07016	11.5
119.08590	29.5
121.06514	9.3
121.10145	9.2
123.08050	8.0
125.09660	14.2
126.06118	2.1
128.06230	8.7
129.07005	14.3
130.07802	10.0
131.08565	15.4
133.06532	2.7
133.10120	9.2
135.08049	11.8
135.11754	3.2
137.09619	3.0
139.11191	13.7
141.06996	4.4
142.07733	14.1
143.08562	25.2
144.09377	6.8
145.06523	4.1
145.10150	25.8
147.08066	11.9
147.11635	3.7
149.09630	6.1
153.06964	3.2
153.12741	5.8
154.07832	2.3
155.08560	10.1
155.10670	12.3
156.09378	7.9
157.10133	31.5
158.07266	2.6
159.08041	16.4
159.11697	12.6
160.08885	2.6
161.09671	6.3
161.13321	3.9
163.11157	3.4
165.06998	8.6
166.07838	3.2
167.08604	4.8
169.10155	13.9
170.10941	5.2
171.08089	8.4
171.11719	16.6
172.08842	4.8
173.09650	17.0
173.13220	2.8
175.11223	4.4
178.07590	2.5
179.08568	7.8
179.14316	3.3
180.09383	7.2
181.10168	3.7
181.12260	10.7
183.08134	3.4
183.11696	8.9
184.12453	2.6
185.09628	7.2
185.13255	14.2
187.11160	6.4
188.12065	2.2
189.12808	3.8
193.10205	5.6
194.10948	5.4
195.11719	31.3
195.13783	7.0
196.12529	3.5
197.09645	2.3
197.13286	8.7
198.10376	3.7
199.11244	3.5
199.14954	3.0
207.11771	6.3
209.13252	17.7
211.11267	4.6
211.14822	7.5
213.12732	33.6
220.12593	2.8
221.13269	8.3
221.15297	4.9
222.14043	4.5
223.14879	4.7
225.12801	4.4
227.14310	8.4
229.16103	3.0
230.27916	2.2
233.15390	4.0
235.14914	3.2
237.12740	4.6
239.14342	8.4
241.15987	3.6
243.17467	3.5
255.13696	3.6
261.16531	3.7
263.18011	6.0
272.17648	2.6
275.16525	2.9
277.19583	3.4
279.17441	8.7
281.19055	6.2
284.22778	2.4
285.18399	4.9
287.18103	3.5
297.18405	5.4
298.19308	14.5
299.20093	4.0
305.19016	5.9
323.20004	4.3
325.75558	2.5
339.22800	2.8
359.41327	2.4
363.23462	4.8
381.24265	100.0
381.32025	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	382.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.8
69.07085	1.0
70.06590	1.6
71.51299	1.2
72.08163	1.6
74.61521	1.1
79.05470	1.2
81.07064	1.0
84.04522	2.0
84.08141	2.1
85.02863	1.5
86.09718	3.1
88.11252	3.5
91.05454	1.2
93.07025	1.4
95.06120	0.9
103.05472	5.3
107.04955	2.5
110.07217	1.2
120.08118	100.0
131.04909	2.3
136.06218	1.8
136.07573	1.7
149.05984	1.0
156.07726	1.2
166.08655	51.0
209.76384	0.9
235.02237	1.0
235.12648	1.2
250.13039	2.5
266.11194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72652	2.1
55.01864	3.1
55.05508	5.8
57.03428	2.7
60.04519	5.2
61.02937	2.2
67.05502	5.0
68.41757	2.0
69.03426	4.8
69.07079	10.0
70.06588	9.4
71.04985	13.0
71.48927	2.9
72.08144	8.7
79.05497	9.1
81.03441	4.2
81.07047	9.2
83.04994	5.6
83.43781	2.1
84.04499	7.2
84.08153	3.9
85.02919	16.7
85.06510	5.0
86.09708	14.8
87.04464	8.9
91.05481	6.2
93.07035	15.7
95.04974	3.0
95.08599	7.8
97.02925	3.0
97.06542	14.2
98.37733	2.0
99.04450	3.3
102.05588	2.5
105.07053	3.0
107.04947	2.4
107.08595	27.1
110.07168	3.4
111.04430	5.6
113.06023	43.1
115.03957	3.0
119.04978	2.2
119.08575	2.8
120.08121	4.5
121.10151	33.1
123.08060	5.1
123.11681	3.2
125.06014	12.6
125.09643	38.8
130.04988	2.5
131.08615	9.9
136.06209	2.7
136.07584	13.6
139.11189	22.1
141.09160	2.5
147.04382	8.1
148.04794	3.5
149.09619	18.2
152.05693	2.9
167.10677	52.8
173.12752	2.3
185.11742	100.0
198.46652	2.1
201.01817	2.0
201.12450	3.0
203.12798	93.3
204.79410	2.3
207.11372	4.4
245.05898	4.3
250.13112	3.3
252.41125	2.0
269.11380	2.3
364.14221	3.5
382.06607	2.2
382.15811	9.1
382.20618	2.0
382.27972	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38514	2.0
53.03955	1.9
55.05517	2.4
57.03429	2.4
59.04993	7.5
60.04510	2.9
67.05518	4.2
69.03442	6.3
69.07071	6.4
70.06590	6.2
71.05001	7.7
71.52157	2.4
72.08160	4.4
79.05485	7.4
81.07062	28.6
84.04494	3.3
84.08171	4.6
85.02905	9.3
85.06547	2.4
85.71551	2.0
86.09715	14.8
87.04433	2.1
87.50033	2.0
91.05473	7.4
93.07046	11.0
95.04980	4.2
95.08607	9.5
97.02915	4.4
97.06547	7.9
105.03360	3.6
105.07041	6.0
107.08603	9.2
110.07176	23.5
112.87709	1.7
113.06001	4.6
113.84032	2.2
116.07109	5.1
119.04953	5.0
120.05260	2.9
120.08169	4.4
121.06519	2.0
121.10149	80.3
123.08081	5.2
123.11717	20.3
125.05991	9.7
125.09634	5.0
127.03893	3.4
130.00940	1.9
136.06204	2.3
136.07574	4.9
139.07498	3.2
139.11177	27.4
141.09143	11.8
147.04399	12.1
148.04744	6.2
149.09686	11.9
158.97327	3.9
167.10683	100.0
173.12881	8.6
185.11737	49.4
185.13396	2.9
189.89458	2.0
201.12312	3.2
203.12680	4.7
220.09882	2.6
227.11496	2.5
236.98643	2.0
250.08270	2.6
251.14966	2.3
264.96820	2.2
364.01974	5.8
382.02704	9.5
382.20728	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	382.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.1
67.05509	4.8
68.05041	2.0
69.07073	5.4
70.06593	11.3
79.05505	6.0
80.05041	0.9
81.07055	7.1
83.08643	2.8
91.05475	5.5
93.07048	9.3
94.06605	1.6
95.04984	2.3
95.08624	7.2
96.08148	2.8
97.06535	1.8
98.20745	3.0
100.07645	4.7
105.07034	16.4
107.08611	5.8
108.08170	1.2
109.10167	4.8
114.05537	2.0
116.07069	6.5
117.06976	1.0
119.08594	15.7
120.08101	4.8
121.06572	1.1
121.10159	5.0
122.09687	2.1
123.08117	1.0
123.11731	1.4
128.07056	4.8
129.07021	1.8
131.08578	5.2
133.10118	6.6
134.09708	1.5
135.11691	1.4
142.07806	1.3
143.08597	5.0
145.10144	8.4
146.09615	1.2
147.11694	3.9
148.11212	6.5
154.08716	2.3
155.08638	2.2
156.09325	2.0
157.10146	4.7
159.11746	3.5
160.11237	1.4
161.13338	0.9
168.10219	15.4
169.10176	2.0
171.11720	5.0
173.13277	1.4
175.14835	3.6
177.16399	1.7
178.08598	5.1
183.11745	1.7
184.07439	1.2
185.13344	3.7
187.14900	1.4
189.16461	1.8
192.10251	3.4
194.11784	10.8
197.13380	2.8
199.14864	1.5
206.11858	1.9
208.13358	1.4
211.14818	1.5
221.59329	1.1
237.16348	1.2
262.13501	1.0
267.21243	2.0
271.93671	1.0
290.21255	3.7
382.27493	100.0
386.22827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01173	0.2
52.93747	0.2
61.02915	0.3
69.03428	0.4
69.80858	0.2
70.13523	0.8
85.02901	1.2
89.29637	0.2
91.05477	0.6
92.43204	0.2
97.02866	0.3
98.20779	0.2
113.13378	0.2
119.04877	0.3
119.08646	0.2
120.72614	0.2
129.03374	0.4
133.45151	0.2
147.04440	1.4
147.08141	0.3
157.02852	0.4
171.26120	0.2
175.03914	0.7
179.03333	0.5
185.02432	0.2
202.02599	0.4
203.03406	50.8
204.03770	0.7
221.04463	100.0
222.04796	1.4
227.10838	0.2
383.09796	0.4
405.50604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
57.03430	0.5
61.02906	0.7
67.05512	0.4
69.03445	2.6
70.03474	0.8
70.03864	0.7
71.04936	0.3
73.02907	0.5
80.51608	0.3
81.03407	1.1
85.02901	6.0
91.05476	0.6
94.22474	0.3
95.10945	0.3
97.02904	1.8
98.20836	0.4
99.04425	0.4
119.04961	0.6
127.03899	0.8
129.03342	0.4
145.04973	0.6
147.04413	3.6
157.02884	0.4
175.03896	2.1
179.03368	0.9
203.03401	40.6
215.89828	0.3
221.04449	100.0
222.04736	0.9
383.23224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06467	0.6
54.59303	0.5
55.05504	1.7
56.05040	0.8
56.96555	0.8
57.07090	0.7
67.05508	2.1
68.05019	0.7
69.07067	1.1
70.06581	1.6
70.16539	2.1
73.02848	0.5
79.05495	2.3
81.03417	1.3
81.07047	2.9
82.06580	1.0
83.08616	1.0
84.08814	0.7
85.02923	0.7
88.04012	0.8
88.07645	0.6
91.05480	2.3
93.07041	3.5
94.06572	1.2
95.04975	0.8
95.08593	2.0
96.08119	1.3
96.14005	0.6
97.06517	0.6
98.06033	1.2
98.20789	0.6
100.11271	1.8
101.11546	0.7
105.07019	1.0
107.08598	2.6
108.08135	1.7
109.10146	1.2
110.09715	3.7
114.05514	3.6
115.05535	0.8
116.07130	1.0
117.07012	1.7
118.06549	25.5
119.08565	1.2
121.10186	1.3
122.09635	1.5
123.10442	0.8
123.11689	0.9
124.11244	1.1
130.06528	9.0
133.10091	0.7
135.11693	2.5
138.05554	0.7
139.56177	0.7
142.06544	2.1
143.07294	1.7
144.08098	16.3
146.06021	71.1
149.02399	0.9
150.12804	3.1
152.14355	80.1
154.15938	1.9
156.10246	1.2
156.13835	1.0
157.14116	0.7
162.45361	0.7
164.14374	1.1
165.07870	1.4
170.05984	4.5
178.15901	1.7
182.15439	1.7
184.11227	2.4
184.13350	0.8
185.13646	1.2
188.07080	53.3
189.07443	1.0
193.05019	0.7
194.05325	1.1
196.16977	41.6
199.06291	0.6
203.03389	1.3
208.13342	3.4
210.14897	10.9
215.08122	1.3
221.04498	2.3
242.44804	0.8
252.15906	0.8
254.17525	9.8
259.08408	0.6
260.09024	0.7
267.08966	1.2
279.10043	0.6
281.04648	3.2
285.10361	0.9
299.11691	0.6
307.09702	2.4
309.07513	1.0
316.09567	1.6
334.10730	7.3
335.09119	1.3
339.20712	41.4
340.21457	0.8
352.11829	5.6
363.00278	0.6
383.23309	100.0
384.14426	6.4
384.23624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05514	6.0
55.67520	0.9
57.03429	3.8
57.07074	1.6
67.05511	18.8
69.07069	5.3
69.80051	3.0
69.80457	1.8
71.04987	1.2
79.05501	6.3
81.07063	27.0
83.05003	2.2
83.08617	3.4
85.06516	0.9
91.05499	4.5
93.07053	7.3
95.08620	6.3
97.06534	1.4
97.10167	1.0
104.44595	0.9
105.07054	4.9
107.08587	7.0
109.06504	12.6
109.10167	12.1
111.04447	16.4
111.08076	2.0
119.08578	4.7
121.10145	4.8
123.08020	2.0
123.11676	1.5
125.06004	8.2
131.08574	3.0
133.10095	5.5
135.08037	2.9
135.11690	3.8
137.05986	100.0
137.09612	2.3
137.13239	1.6
139.07544	1.1
145.10136	2.4
147.08102	1.4
147.11697	5.5
149.09633	3.6
151.07516	2.8
151.11151	1.2
157.10094	2.0
159.11711	1.1
161.09621	7.3
161.13242	1.6
163.11159	1.9
163.14819	1.0
165.09100	2.2
167.10641	1.7
167.95467	0.9
171.11659	2.6
173.11720	3.3
175.11212	5.9
175.14787	1.4
179.10672	2.0
189.12782	1.4
193.12219	1.6
203.03416	2.6
203.17952	5.2
213.16399	2.5
221.04451	4.0
221.18965	2.3
223.14818	1.4
231.17435	10.9
240.11409	1.0
241.15950	1.5
249.18512	11.7
277.18008	88.6
295.19052	14.4
351.21719	5.1
383.24347	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01857	3.6
55.05519	12.3
55.19458	2.3
57.07064	10.0
59.04994	6.7
63.38701	2.0
64.39260	2.4
65.03928	3.9
67.05511	27.9
69.03426	16.9
69.07057	10.6
70.69188	2.7
70.69521	5.3
71.04977	6.8
76.94697	2.3
79.05135	2.2
79.05503	24.3
81.03423	3.3
81.07055	34.6
83.04970	7.3
83.08590	2.7
84.57746	2.2
85.06519	4.0
91.05484	40.6
93.07051	90.0
95.04976	24.1
95.08617	37.6
97.06532	10.9
99.04456	2.5
103.05460	4.5
105.07039	75.1
107.08604	43.6
109.06517	20.7
109.10151	27.0
111.08077	7.9
115.05458	3.4
117.07003	13.5
119.07802	4.0
119.08592	48.4
120.09332	2.5
121.06487	14.3
121.10150	40.3
123.08083	26.9
127.03934	3.2
128.06223	8.2
129.07030	14.0
130.07764	4.3
131.08580	30.0
133.06511	5.8
133.10136	32.7
133.98537	2.3
135.08076	19.7
135.11687	7.8
136.80374	2.2
137.09656	14.0
141.06990	3.3
142.07787	17.7
143.08560	21.2
144.09370	4.8
145.06473	3.6
145.10141	34.0
147.08064	24.9
147.11682	13.4
149.09622	25.6
150.57092	2.2
151.07564	33.8
153.09125	5.5
155.08588	7.4
156.09348	8.0
157.10144	35.3
159.08043	7.7
159.11697	19.7
160.08841	3.8
161.09610	18.2
161.13185	6.9
163.11177	7.1
165.09125	35.1
169.10146	6.6
170.10942	6.4
171.11688	7.8
173.09619	9.8
173.13229	6.7
175.11183	21.4
175.14819	8.0
177.09108	12.3
181.10257	3.0
182.10992	2.7
183.11728	8.3
185.09717	4.5
185.13260	17.1
187.11163	4.9
187.14844	2.9
189.12733	7.7
193.10298	2.8
195.11708	6.7
197.13210	7.9
199.11160	5.6
201.12730	8.3
203.14336	23.8
207.11961	3.6
207.13770	14.9
209.13232	6.5
209.15250	4.8
213.12712	4.3
215.14284	5.0
217.12173	3.1
219.13829	8.4
221.15382	89.9
223.14711	2.8
225.12698	4.3
227.14362	7.7
231.13649	5.7
233.15288	5.0
234.16092	10.6
235.16989	2.7
237.14597	3.2
241.15916	3.2
281.18964	3.4
286.19217	3.6
287.19946	9.6
299.19949	6.4
303.19577	9.1
308.60309	2.6
309.18393	3.8
315.31668	2.3
347.23688	5.3
365.24707	18.7
383.25742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	8.8
55.01872	4.0
55.05515	17.3
57.07065	11.6
59.04994	6.5
65.03936	3.7
67.05515	30.9
69.03430	16.3
69.07058	10.7
71.04999	8.1
72.43784	3.0
77.11815	2.7
77.57335	2.6
79.05495	26.2
81.03406	3.0
81.07069	36.3
83.04965	9.3
83.08602	6.4
85.06508	4.1
91.05489	45.9
93.07050	94.2
95.04964	26.1
95.08610	37.0
97.06533	17.6
98.21615	6.9
105.07031	82.1
107.08607	49.1
109.06531	27.5
109.10159	23.0
110.60236	2.6
111.08086	6.7
111.60718	2.4
115.05484	5.3
115.96461	3.2
116.06227	2.9
117.07025	14.8
119.08590	59.0
120.09383	6.8
121.06509	7.1
121.10147	40.0
122.07346	3.7
123.08070	31.5
128.06230	10.5
129.07025	18.1
130.07840	3.6
131.08575	34.4
133.06491	8.8
133.10136	32.8
135.07086	3.8
135.08066	26.0
135.11671	6.8
137.09625	10.9
139.11227	4.3
141.06966	5.0
142.07794	17.2
143.08559	27.7
144.09323	7.7
145.10129	42.4
147.08055	25.2
147.11700	17.0
149.09622	26.0
151.07541	39.9
152.60793	2.8
153.09036	5.5
155.08539	9.3
155.10648	3.7
156.09331	11.6
157.10133	37.9
159.08066	8.6
159.11725	14.5
161.09615	23.2
161.13255	7.1
163.11176	8.1
165.09093	33.1
167.08571	4.9
168.09480	3.8
169.10141	10.7
170.10886	4.8
171.11691	15.0
173.09657	13.1
173.13255	13.7
175.11174	18.7
175.14771	6.7
177.09103	11.1
181.10130	4.1
181.12141	5.4
183.07835	3.1
183.11728	10.5
185.09625	3.1
185.13301	20.5
187.11226	6.5
189.12775	10.2
191.14285	5.1
193.10088	3.3
195.11699	8.5
197.13257	9.4
199.11148	3.8
201.12787	10.1
203.14357	29.6
207.11925	3.9
207.13748	12.2
209.13174	4.9
209.15436	6.1
211.14774	6.6
213.12636	4.8
215.14406	14.1
219.13792	6.2
221.15366	77.6
223.14830	3.9
227.14285	13.5
229.00169	3.5
229.12358	3.7
231.13927	3.4
233.15387	10.2
234.16162	15.3
268.53622	3.8
269.19000	4.8
281.18988	6.5
285.18515	3.6
286.19315	4.3
287.20059	11.4
299.20148	5.7
303.19534	8.2
339.68658	2.8
347.23834	3.2
365.24698	13.6
374.29697	3.2
383.25793	100.0
405.35837	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.87525	2.3
52.40872	2.6
53.03939	6.2
55.05510	15.1
57.07064	10.3
59.04993	6.1
65.15465	2.4
67.05503	32.6
69.03426	16.8
69.07062	6.2
70.56789	4.4
70.57153	5.9
71.04980	7.1
73.38962	2.6
79.05500	27.7
81.03410	3.6
81.07057	34.5
83.04976	6.4
85.06529	4.0
91.05485	40.3
93.07050	89.9
95.04971	29.3
95.08614	33.3
97.06520	10.9
103.05495	2.9
105.04530	2.9
105.07039	78.7
107.04989	3.5
107.08603	44.0
109.06529	20.0
109.10159	19.2
111.08083	11.0
115.05464	4.7
117.07030	13.5
119.08582	47.7
120.09428	3.0
121.06493	13.6
121.10155	45.6
123.08066	29.1
123.11680	3.8
128.06190	6.8
129.06996	9.9
131.08580	29.4
133.06491	10.1
133.10139	26.7
135.08081	24.6
135.11682	7.6
137.05994	3.7
137.09624	11.3
141.07018	6.3
142.07809	19.3
143.08548	24.0
144.09360	7.5
145.10139	34.8
147.08058	27.4
147.11703	13.9
149.09642	31.2
150.50739	2.7
151.07579	38.3
151.08716	5.4
151.18945	2.8
153.09109	2.8
155.08575	4.9
156.09373	7.7
157.10129	39.4
159.08086	8.5
159.11749	16.1
160.08923	2.6
161.09598	21.5
161.13301	8.0
163.11234	7.0
165.09126	39.1
168.09377	3.0
169.10144	6.4
170.10947	5.3
171.11679	5.8
173.09630	11.2
173.13278	11.5
175.11169	21.9
175.14876	10.0
177.09122	13.8
178.09830	4.5
178.78590	2.8
183.11705	4.8
185.13327	13.8
187.11136	8.5
187.14845	3.0
189.12802	12.9
191.14354	4.6
195.11700	3.6
197.13219	7.1
201.12816	9.2
203.03412	8.3
203.14314	31.2
207.11984	5.0
207.13702	12.9
209.13377	5.8
209.15361	4.3
211.14771	4.4
213.12869	4.0
215.14352	10.1
216.15002	5.8
219.13853	8.6
221.04407	15.8
221.15373	95.6
223.14943	5.3
224.34039	2.9
227.14354	8.3
233.15454	5.9
234.16212	13.6
235.14902	4.3
243.13969	3.7
249.16473	3.0
263.18021	3.4
271.15137	3.4
281.18890	5.3
286.19440	3.9
287.20099	4.9
299.20114	4.5
303.19507	7.5
365.24738	17.5
383.25842	100.0
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
50.33704	1.9
53.03931	5.4
55.05513	16.2
57.03436	3.2
57.07078	10.0
59.04988	3.9
67.05512	25.4
69.03432	12.0
69.07058	5.5
71.04988	5.8
71.16908	3.4
74.83012	1.6
79.05501	24.4
79.45465	1.8
81.07059	33.3
83.04985	6.0
85.06520	4.2
87.70184	1.7
91.05491	44.9
93.07052	86.8
95.04982	19.8
95.08613	36.0
97.06527	11.6
103.05460	2.5
105.04530	1.9
105.07040	68.6
107.04977	3.7
107.08604	33.3
109.06525	22.3
109.10171	17.4
111.08102	10.8
115.05439	2.6
117.07042	12.5
119.08593	46.2
121.06525	12.3
121.09334	3.2
121.10152	45.8
122.07278	1.7
123.08076	23.4
123.19060	1.8
125.09630	2.5
126.38004	1.7
128.06236	6.4
128.20221	1.7
129.07011	13.0
130.07777	3.7
131.08585	24.8
133.06531	11.9
133.10141	29.9
135.08066	19.0
135.11717	6.7
137.06013	2.4
137.09660	9.1
141.07040	2.9
142.07770	17.6
143.08572	20.7
144.09351	6.5
145.06511	2.0
145.09085	1.3
145.10127	36.8
146.07285	1.9
147.08072	25.7
147.11687	14.4
148.08807	3.5
149.09637	24.1
151.07553	33.6
153.09123	3.1
155.08577	8.2
156.09358	8.9
157.10144	33.8
159.08083	6.2
159.11682	15.8
161.09622	18.1
161.13264	10.3
163.07578	2.7
163.11176	9.1
165.09128	35.9
169.10149	6.5
170.10945	6.4
171.11690	8.1
172.08807	2.6
173.09628	11.6
173.13235	10.1
175.11206	22.1
175.14780	9.7
177.09120	12.3
178.09944	4.2
179.10675	2.0
181.10188	3.4
181.12308	2.0
182.10974	2.7
183.11722	7.7
185.09749	2.2
185.13268	12.0
187.11188	4.4
187.14876	4.3
189.12793	7.8
191.14383	4.8
194.11023	1.8
195.11755	5.4
197.13290	5.7
199.11186	3.4
199.14775	4.1
201.12752	9.9
203.10797	2.1
203.14301	28.3
207.11868	3.7
207.13841	12.8
209.13283	4.9
209.15387	6.4
210.10471	1.9
211.14851	2.8
213.12744	5.2
215.10855	2.2
215.14352	7.1
216.15182	4.5
219.13849	6.6
221.13399	4.4
221.15372	88.3
223.14792	3.2
225.12761	3.0
227.14337	9.6
228.55801	1.8
229.12329	2.1
231.13821	3.5
232.20854	2.1
233.15350	5.9
234.16092	13.9
239.14366	2.8
243.13898	3.0
245.13159	2.1
247.14964	2.8
251.18161	2.4
255.17377	2.3
267.17365	2.8
271.16953	2.9
279.17538	2.0
281.18985	3.9
286.19293	3.4
287.20059	7.3
299.20190	7.8
300.20767	1.9
303.19638	10.3
309.18423	4.0
319.53677	1.9
327.19452	3.7
347.23727	5.1
365.24847	15.3
383.25824	100.0
384.26172	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87529	1.8
69.03412	3.1
71.51717	3.2
73.71379	1.9
85.02884	5.8
119.26674	2.0
170.05684	1.9
194.75529	1.9
205.96283	2.1
212.85284	3.8
249.46259	2.1
254.96053	8.6
332.53998	2.1
365.99112	5.9
384.00565	36.2
384.08255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1152
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.26593	0.4
55.01871	1.6
57.03432	1.4
59.89161	0.5
68.99786	0.8
69.03446	1.0
70.06586	2.2
70.69573	1.1
70.69923	0.8
71.01362	0.6
73.02924	0.8
77.50757	0.5
84.08165	0.7
85.02908	1.7
88.02295	0.5
97.02871	0.7
102.42951	0.5
110.07143	0.8
111.00819	0.8
111.04479	0.6
115.03957	0.7
115.05485	0.5
118.02876	0.5
120.08137	0.6
121.05102	0.7
121.06499	0.9
123.04442	1.3
135.04466	1.1
135.06683	0.7
136.05162	0.9
136.06195	16.9
136.07219	1.0
137.04587	0.8
139.03902	3.5
141.06978	0.6
147.04410	0.6
148.06189	6.3
151.03912	4.9
153.06993	0.6
160.06175	1.0
161.05983	0.7
162.07761	35.8
163.03941	2.8
173.06023	1.4
175.07462	0.9
187.07593	0.6
188.05679	13.2
192.05171	16.6
195.08105	0.6
197.06116	0.7
199.07584	0.8
203.07092	1.5
206.06750	6.4
208.95345	1.0
215.06976	1.1
216.05193	1.0
218.11757	1.3
222.07397	0.9
234.06194	10.0
238.05333	1.8
243.06570	0.8
250.72638	0.4
251.07013	0.8
252.07300	100.0
253.07629	1.1
257.07901	0.6
258.11334	1.6
259.12015	1.1
263.07034	0.7
269.08112	4.1
281.07965	0.6
287.05722	0.5
311.09201	0.6
327.08679	1.5
340.15463	2.0
341.10318	0.8
342.13364	1.2
348.12366	0.8
353.10309	1.0
366.13419	4.5
384.11145	14.7
384.14639	19.6
392.17432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1441
Annotation	13-Oxo-allocryptopine
Peak:m/z	Relative Intensity
55.01864	0.8
67.05501	0.8
68.25464	0.7
68.99809	1.8
69.50946	2.8
69.51379	2.7
70.06591	5.8
86.09683	0.9
88.11296	1.9
91.05478	1.2
98.09727	0.9
103.05472	0.7
107.35316	0.7
108.08083	0.8
110.07172	2.5
110.29641	0.8
111.00793	1.8
111.04504	0.8
119.04929	1.1
120.08112	6.4
123.04418	4.5
129.06998	1.4
129.67673	0.7
135.04428	3.4
136.06206	1.1
136.07599	1.1
137.02341	1.3
137.06018	1.0
139.03911	12.2
147.04439	1.4
151.03957	1.7
153.07048	1.4
161.05988	3.0
162.07794	1.7
163.03880	7.6
165.05469	1.0
166.08681	3.0
167.08655	1.2
169.06401	1.9
173.06007	4.2
175.07520	3.8
175.08887	0.9
177.05475	1.1
181.06499	2.3
183.04398	1.4
187.07622	2.1
189.05577	1.2
195.08080	1.7
197.05960	4.0
199.07542	3.1
201.05492	2.2
203.07008	4.8
209.06032	0.8
211.07585	0.9
213.09189	1.5
215.07014	4.4
218.11810	3.6
221.09445	2.3
223.07623	1.8
225.09184	1.3
227.07137	1.4
228.10179	1.5
230.11780	1.1
231.06592	0.9
232.09511	1.6
234.11198	1.0
237.08995	0.9
238.05363	2.0
241.08749	1.1
241.11005	1.2
243.06586	3.2
246.11241	0.9
251.06993	1.6
252.07233	4.0
258.11292	3.2
259.12119	2.3
263.07034	3.5
263.10941	0.8
269.08084	11.2
271.06213	0.9
272.12808	1.0
279.06570	1.6
281.08054	1.5
282.11218	1.3
287.05518	2.2
291.10187	1.7
299.09033	0.9
300.12381	1.3
309.07715	2.0
309.11313	2.3
311.09131	2.4
327.08615	6.5
335.08948	1.0
340.15457	6.7
341.10211	3.2
342.13315	4.3
348.12274	3.8
353.10153	2.4
366.13428	22.2
384.14459	100.0
385.14789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1445
Annotation	13-Oxo-allocryptopine
Peak:m/z	Relative Intensity
57.74128	0.5
58.06600	0.8
58.52127	0.5
61.06744	0.5
68.99789	2.0
70.06593	6.1
71.51669	0.8
72.08173	0.7
84.08106	0.6
85.02914	1.1
86.09730	0.6
88.11268	0.6
91.05447	0.9
97.02888	0.7
98.09681	0.7
110.07169	2.5
111.00796	1.5
111.04462	0.6
121.06534	1.0
123.04430	3.7
127.03958	1.0
131.04831	0.6
135.04411	2.4
136.06209	2.0
136.07588	0.9
137.02370	1.0
139.03917	13.0
145.06520	0.9
147.04379	1.3
149.02338	0.6
149.05968	0.8
151.03905	2.2
153.06996	1.2
155.05014	0.6
161.05965	1.9
162.07759	1.8
162.09090	0.8
163.03908	6.4
165.05525	1.2
165.07030	0.7
167.08638	1.1
168.06630	0.6
169.06494	1.8
170.09254	1.4
173.06003	4.3
175.07544	3.7
181.06514	2.1
183.04410	1.5
183.08052	1.3
187.07579	2.1
188.05786	1.1
189.05473	1.1
192.05161	0.7
195.08038	0.9
197.06009	3.1
199.07538	2.7
200.08340	0.7
201.05516	1.8
203.06985	3.6
209.06087	0.9
211.07573	1.1
213.09171	1.0
215.07124	4.5
218.11757	3.6
221.09320	0.7
222.09595	0.9
223.07576	1.2
225.09135	0.7
227.07077	0.8
228.10226	0.9
230.11884	0.7
232.09811	1.2
234.06439	0.9
234.11253	0.9
235.07623	0.9
238.05330	2.4
240.10097	0.7
241.08626	1.0
241.10919	1.1
242.11594	0.6
243.06586	3.1
243.08792	0.8
251.07150	2.6
252.07320	5.6
253.08789	0.7
258.11279	4.5
259.12030	3.5
263.07077	2.2
263.10733	0.7
269.08057	8.6
271.06171	0.7
272.12921	1.3
279.06522	0.8
281.08115	1.0
282.11084	0.8
285.07632	0.9
287.05563	2.4
291.10297	1.4
300.12274	0.9
309.07727	1.2
309.11206	1.2
311.09167	0.9
323.09189	0.6
324.12170	0.7
327.08597	5.8
340.15430	5.4
341.10226	2.4
342.13370	3.3
348.12344	2.8
353.10101	2.8
366.13412	16.9
384.14459	100.0
385.14713	1.3
407.83127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1444
Annotation	AMG-208
Peak:m/z	Relative Intensity
55.05489	0.7
60.82391	0.5
62.64227	0.4
63.08451	0.5
67.05470	0.7
69.70446	2.4
70.06586	3.4
70.08704	0.5
74.45499	0.6
77.20793	0.4
83.05040	0.5
84.08101	1.1
85.02886	0.8
97.02868	0.6
98.31037	0.5
129.06833	0.5
135.04352	0.7
148.91422	0.5
193.05005	0.6
194.05418	0.5
195.05399	0.6
204.05388	0.6
213.05498	0.6
218.07146	0.7
223.05994	1.0
225.05478	1.1
226.64058	0.5
227.03400	1.1
235.07516	0.6
237.05487	0.7
239.03337	1.0
239.07025	0.9
250.06310	1.3
251.07088	1.2
251.10625	2.0
253.04953	2.8
253.08647	0.7
255.02831	0.6
255.06526	0.7
261.09183	3.2
262.08691	1.4
263.07193	1.0
264.07822	2.1
265.04987	3.7
266.05841	0.9
269.04385	4.0
277.08606	1.4
278.05710	1.4
279.06522	1.5
279.10150	6.3
281.04462	43.0
282.04865	0.6
283.06015	6.3
288.10184	2.8
289.08624	3.2
291.06436	0.7
292.07260	1.9
293.07977	0.6
295.06042	1.5
295.09528	0.6
305.08060	11.5
306.08170	1.7
307.06079	2.4
307.09625	30.8
309.07602	11.6
310.04739	1.0
316.09698	19.5
317.08051	5.9
320.09256	0.7
323.09073	3.2
334.10748	100.0
335.09091	22.7
348.12350	1.5
352.11813	71.5
353.12164	1.0
367.11844	2.3
384.14438	79.6
385.14694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1446
Annotation	Phyllospadine
Peak:m/z	Relative Intensity
55.90516	0.4
56.05037	1.8
67.05518	0.8
68.24572	0.4
70.06597	1.4
71.52799	0.7
75.15283	0.5
78.98671	0.4
79.05508	0.8
81.07076	3.2
82.06589	1.0
84.08156	68.5
85.02940	0.9
86.00662	0.7
86.09745	0.9
91.05510	0.8
95.04963	0.5
96.08149	1.3
109.06540	2.7
120.08134	0.7
123.08105	0.6
129.10330	0.5
132.01225	0.7
152.07111	5.1
163.03943	0.6
181.52435	0.5
189.05495	55.6
191.07100	0.9
207.06160	0.5
213.05525	0.9
214.08675	4.2
215.07082	2.2
216.12277	0.5
217.04990	100.0
218.05304	1.0
222.04887	0.7
230.05667	0.5
232.09750	0.6
233.08119	2.2
241.04926	2.3
243.02925	6.8
255.06418	0.5
259.06058	7.6
283.05991	5.0
301.07104	43.6
302.07205	0.7
312.87622	0.6
321.11435	0.5
322.14325	2.6
340.15494	1.7
366.13416	17.8
384.14484	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73077	0.6
68.10376	0.5
71.16209	0.8
84.20495	0.5
98.97517	1.7
101.00901	2.6
105.03316	0.7
106.91158	0.5
115.17838	0.6
119.01912	4.4
134.99780	0.6
137.02913	0.6
153.00935	0.5
158.99902	1.6
177.00948	12.5
178.01009	0.8
182.99899	0.7
191.00044	1.0
201.00951	2.2
209.01266	1.5
210.49814	0.6
217.04109	3.4
219.02025	22.7
220.02106	0.9
225.01074	2.5
236.99821	0.8
243.02008	11.4
258.99951	2.5
261.03076	100.0
262.03226	5.4
263.03201	0.6
277.01117	1.7
279.00919	1.1
283.00073	4.3
284.04718	2.3
284.99890	2.3
301.01016	4.6
302.01080	1.3
303.00888	2.3
343.02194	2.0
343.06509	0.7
362.16608	1.0
367.02188	1.9
380.17932	2.5
384.99551	0.8
385.03253	19.1
386.03522	1.2
402.93689	1.0
403.04514	18.9
404.04556	0.7
408.04730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96594	18.3
69.53556	77.6
69.53961	27.4
69.99806	14.3
70.06585	56.8
75.89902	15.5
78.39429	14.0
84.08134	31.6
85.02897	21.4
86.09707	100.0
96.93951	13.7
98.97581	36.4
99.55921	14.6
105.06962	18.2
116.98536	13.3
129.10257	17.6
157.13347	38.9
163.11147	20.9
177.12802	16.3
177.19424	14.2
205.12210	49.6
216.80984	18.0
219.01849	20.5
221.48233	16.1
223.13281	51.5
241.00233	40.7
251.40587	14.9
259.01245	56.0
343.19696	25.0
385.04800	45.5
385.18201	39.2
402.53772	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.03436	4.5
61.02942	3.8
67.05489	3.5
69.03436	15.9
69.07053	2.5
70.06589	2.7
70.10596	6.3
71.04982	4.8
79.05490	5.6
81.03425	3.7
81.07060	6.4
83.04977	3.2
84.04510	3.7
85.02910	38.9
86.09676	2.4
87.04470	6.3
91.03931	2.7
91.05502	6.5
93.07057	11.0
95.04967	5.0
95.08615	4.8
97.02900	10.2
97.06525	3.3
98.21416	3.0
105.07043	9.8
107.04999	2.2
107.08613	10.1
109.06496	11.4
109.10139	4.2
117.07024	4.2
119.08577	15.5
121.06557	13.1
121.07271	2.3
121.10168	13.2
123.04479	2.8
123.08092	5.9
127.03963	5.3
130.04950	2.5
133.10136	3.6
135.08076	15.7
135.11737	3.7
137.09599	21.0
139.07422	2.0
145.04929	4.7
145.10149	10.4
147.08069	8.8
149.05936	3.8
149.09601	3.9
159.11714	12.7
161.09682	4.1
162.10504	2.1
163.11191	22.6
165.09109	17.7
167.07101	4.2
172.08888	2.2
173.15622	2.2
175.04158	2.4
175.11211	16.5
177.12785	15.3
181.12421	2.4
181.99208	2.7
183.83270	2.6
187.11212	7.5
201.38164	2.4
205.12239	81.1
223.13303	68.0
250.63605	2.2
357.05994	3.2
385.05380	6.3
385.18384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98640	1.2
55.01864	1.9
55.05516	45.2
56.45577	1.5
57.03447	15.8
57.07083	32.1
59.05005	1.1
61.16722	1.1
62.69511	1.4
67.05507	14.6
69.07076	52.2
71.04998	2.5
71.08637	18.2
71.52491	1.7
72.74519	1.2
79.05502	9.3
81.07059	22.8
81.65540	1.2
83.04979	2.5
83.08627	34.3
85.10197	11.4
88.40814	1.4
93.07051	13.4
95.08614	19.6
97.06544	7.9
97.10175	22.8
107.08594	10.2
109.10168	11.3
111.08094	5.0
111.11732	4.8
121.10160	10.7
123.11691	3.4
125.09657	4.4
125.13257	1.6
129.09081	1.4
132.80128	1.4
135.11703	9.9
137.13228	2.5
139.11183	4.1
140.34618	1.3
149.13292	6.5
153.12730	5.1
163.14827	4.3
167.14299	3.5
171.13788	1.4
177.16388	3.7
179.18182	1.3
181.15932	2.4
185.15431	1.2
191.17944	1.3
194.93565	1.6
195.17444	2.5
198.90640	1.3
199.17061	2.0
219.21095	1.9
250.93498	1.4
275.27347	6.3
293.28400	11.5
367.32147	12.7
385.33163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05510	1.6
57.03430	1.7
57.07055	1.0
59.84805	0.9
67.05516	7.7
69.03434	2.1
69.07067	2.5
70.06599	1.0
71.05000	2.2
71.52554	0.9
79.05511	4.5
81.03407	1.4
81.07059	3.1
84.04518	1.5
84.08144	2.0
85.02902	2.7
85.06545	2.2
91.05487	3.4
93.07040	2.6
94.06544	1.1
95.04979	6.9
95.08613	2.4
96.08152	1.4
97.06532	1.4
105.07048	2.3
107.08609	2.2
108.04510	2.3
108.08133	3.5
109.06535	1.6
110.09746	1.5
112.03977	2.5
113.06017	6.3
117.07024	1.4
120.08128	1.5
121.06534	1.6
122.09673	1.3
123.08070	1.1
124.03972	1.3
124.07546	1.8
126.09187	1.3
128.48399	1.0
130.05029	1.1
131.08694	1.0
131.49658	0.9
134.09656	1.8
134.17761	1.0
135.08093	2.6
136.03918	5.8
136.07587	1.2
137.06003	2.0
144.02899	1.3
149.05980	1.2
150.09174	3.7
154.04984	0.9
154.08604	6.7
159.87766	1.1
162.09183	1.5
164.07100	2.5
164.10751	2.2
166.08720	1.4
168.10237	1.1
168.18066	1.1
176.14339	1.4
178.08653	3.7
180.10222	4.3
190.08604	1.3
191.09540	1.0
192.10190	4.9
192.13776	2.0
194.04681	1.1
196.09749	3.9
198.11284	1.6
205.05040	2.6
206.05344	3.0
208.09747	2.4
218.15463	1.0
220.09738	2.5
220.13301	2.0
223.06044	6.2
224.06367	12.3
226.10863	3.1
234.14952	3.3
236.09186	5.6
236.16545	1.1
246.14813	1.2
248.09132	1.2
256.08237	3.0
256.12039	1.4
262.14407	3.1
264.15970	12.6
266.10239	1.0
280.15512	4.2
290.13943	1.2
298.16528	1.6
308.14954	100.0
309.15341	1.7
314.12338	3.6
324.18158	4.1
326.16058	18.2
329.33392	1.1
340.17670	10.1
368.17319	3.8
386.18158	45.8
386.23175	1.6
387.18710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1283
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
53.03954	0.6
55.01857	0.3
55.05504	0.6
57.03442	0.6
58.99570	0.4
61.02936	0.7
66.52369	0.2
67.05495	0.4
68.05027	0.5
69.03436	2.3
69.07057	0.5
70.06586	2.2
70.41691	0.6
70.42053	0.6
71.04993	0.5
71.17042	0.3
72.08150	2.0
72.99004	0.2
78.04694	1.7
79.05505	1.7
81.03411	0.7
81.07082	2.0
82.01814	0.2
84.04486	1.5
84.08148	0.8
85.02908	4.9
85.06538	0.5
86.09222	0.4
86.09711	4.2
87.04463	0.5
91.05473	1.2
93.07047	1.2
95.01335	1.8
95.04971	1.6
95.08605	0.6
97.02882	1.7
103.05455	0.5
105.07030	2.4
106.04185	1.0
107.04983	1.5
107.08580	1.4
109.02881	0.8
109.06516	1.0
109.10146	0.4
114.05519	0.7
116.01698	0.5
116.07072	0.7
119.08569	1.1
121.06487	1.6
121.10152	1.6
123.04439	3.5
123.08070	1.4
124.05225	1.6
125.05977	0.6
127.03915	1.3
127.08630	0.4
129.01897	0.4
129.10263	0.5
130.05005	0.8
130.07748	0.4
131.08543	0.7
133.06485	1.1
133.10130	1.0
134.03616	0.5
135.04465	0.4
135.08057	0.6
135.11725	0.6
136.07561	0.4
137.05981	0.4
139.07590	0.3
141.01842	0.7
142.04977	0.9
145.04936	1.0
145.10095	1.5
147.04456	0.4
147.11710	0.7
149.05995	2.0
149.09639	0.7
151.03926	1.2
151.06493	0.4
151.07520	2.0
152.04683	1.2
161.05971	1.1
161.13181	0.4
163.11191	6.8
165.12787	0.4
166.06203	0.4
167.07045	100.0
168.07417	0.5
169.04970	0.4
171.11606	0.4
177.03981	0.4
181.08656	1.7
181.12209	1.8
184.24706	0.3
185.16492	0.5
189.12721	2.0
193.08580	4.1
207.06520	0.4
207.13818	8.8
210.11288	2.2
211.09631	4.1
215.05005	0.3
225.10980	5.5
225.14760	1.8
260.99066	0.8
313.12012	0.3
346.04022	0.5
369.19009	2.5
387.02310	0.9
387.11658	0.4
387.16180	6.0
387.20367	1.4
387.27042	0.3
388.15558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.1
51.02385	0.3
53.03949	0.9
55.05531	0.2
57.03434	0.2
67.05514	0.3
69.03438	0.9
69.86182	0.4
77.03920	0.3
79.05498	3.6
81.03437	0.7
81.07054	0.1
83.04981	0.2
85.02917	0.4
91.05485	0.4
93.07048	1.3
95.04991	0.8
97.02870	0.2
98.20818	0.2
103.05479	2.2
105.07040	100.0
106.07388	0.8
107.36710	0.1
111.04483	0.1
119.04950	1.7
121.06519	1.9
127.03983	0.2
129.05505	0.3
132.87830	0.1
137.06049	0.1
144.08194	0.1
147.06549	0.4
178.05141	0.2
179.05528	0.2
387.23560	2.0
399.33539	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	2.8
55.05500	4.0
57.03438	4.9
61.02903	6.3
67.05489	5.5
69.03429	19.9
69.07058	3.0
69.49211	10.0
70.06593	3.2
71.05006	11.2
72.08133	5.4
73.02959	1.7
79.05494	4.5
81.03403	7.8
81.03848	2.1
81.07052	11.3
83.04964	2.4
84.04481	2.7
84.08141	2.2
85.02438	2.9
85.02908	42.0
86.09705	17.1
87.04466	3.2
91.03941	2.2
91.05482	5.1
93.07038	11.2
95.04955	4.9
95.08588	6.4
97.02880	13.3
97.06535	2.8
98.97552	2.7
99.04463	4.3
105.07030	13.4
107.04967	3.5
107.08593	5.7
109.02853	6.4
109.06505	3.6
109.10146	11.6
119.08594	10.9
121.06492	4.0
121.10151	24.8
123.04465	3.4
123.08056	7.7
124.35814	1.8
127.03893	8.3
129.10185	2.8
131.08536	4.6
133.06487	2.6
133.10086	4.7
135.04420	4.6
135.11650	3.8
137.05956	4.7
137.09622	14.9
139.03912	18.6
145.04970	7.4
145.10117	2.9
147.08037	2.4
147.11694	14.6
149.09628	64.3
151.03935	21.1
151.07555	4.4
151.11163	1.9
156.09346	4.4
159.47424	1.7
161.05945	4.4
161.09650	1.8
161.13255	10.2
163.03889	8.4
163.11169	5.6
165.05467	3.6
165.12732	6.1
167.07025	3.1
169.04985	3.8
171.11655	4.4
174.10388	2.5
177.12718	1.7
179.03415	8.6
179.14320	4.5
181.04927	4.8
189.12743	27.8
197.04468	13.0
207.06526	18.7
207.13805	49.4
219.10153	14.5
225.07578	100.0
225.14864	46.3
226.07854	2.2
281.10699	2.1
309.08752	2.2
318.94849	2.0
319.08136	3.0
337.93604	1.7
387.20334	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05502	8.1
67.05494	18.0
69.03421	11.2
70.06599	26.7
70.91286	7.6
72.08166	7.0
81.07053	13.1
83.04951	6.0
85.02900	19.2
85.06527	12.1
86.09701	22.4
91.05483	6.2
93.07043	10.3
95.04946	8.8
95.08612	91.1
97.02895	10.1
97.06562	4.7
99.78264	5.6
105.07034	12.7
107.08585	11.7
108.30695	3.8
109.02878	6.3
109.06540	6.8
109.10158	5.0
113.05999	13.0
119.08572	14.4
121.10143	11.8
123.08086	47.0
133.10175	7.5
135.11678	20.3
135.15428	3.9
137.09647	5.1
139.07460	4.1
147.11708	12.6
149.09662	28.7
151.07544	6.1
161.13365	9.9
163.11162	14.1
165.12762	13.4
167.07082	7.2
177.05522	6.7
179.14323	7.2
186.02122	5.0
189.12755	24.3
205.05049	4.3
207.13831	100.0
225.11194	4.9
225.14880	11.8
270.87308	4.1
271.03714	5.6
387.16443	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	5.2
55.01871	4.4
55.05507	3.9
57.03440	6.5
57.07078	5.9
67.05502	8.3
69.03419	13.5
69.07075	7.1
69.48559	22.4
70.06638	3.5
71.04996	8.4
74.15386	3.4
76.26471	2.8
79.05498	10.5
81.03444	7.0
81.07057	22.5
83.04992	13.5
83.08626	3.9
84.08163	16.2
85.02905	33.9
86.09721	4.6
91.05486	12.0
93.07056	22.1
94.76734	2.8
95.04963	9.0
95.08604	13.1
97.02900	8.8
97.06532	24.2
98.21542	5.2
99.04488	7.5
99.08079	11.5
105.06531	2.6
105.07053	29.6
107.04932	2.9
107.08598	11.4
109.02862	3.1
109.06512	17.6
109.10165	8.8
111.04381	3.5
111.08118	5.1
119.04888	4.0
119.08582	17.0
121.10153	47.2
123.04461	5.9
123.08070	93.5
125.05978	23.9
127.03930	8.0
131.08588	7.4
133.06491	4.8
133.10129	6.6
135.04408	3.5
135.08040	5.6
135.11649	9.6
137.05957	8.2
137.09625	5.2
137.13272	21.2
139.03888	8.9
143.08537	4.3
145.05016	4.2
145.10118	10.8
147.04343	4.5
147.08112	6.5
147.11656	16.1
149.09622	18.1
151.03932	20.1
151.07654	14.4
151.11119	4.3
155.10664	4.4
156.09372	5.0
161.13235	9.4
163.03906	16.4
163.11098	17.0
165.12761	9.0
167.07007	4.0
171.11734	15.7
177.05441	5.8
179.14325	52.9
181.04947	5.5
181.12256	5.1
189.12759	23.6
193.94379	3.0
207.13814	100.0
213.11264	3.5
219.10216	20.6
225.14876	45.8
231.11729	3.5
232.46191	2.9
257.19003	3.0
258.01163	3.1
274.35931	3.3
280.22354	3.0
306.32056	3.7
369.19058	4.2
369.27588	4.5
387.15298	6.6
387.19952	14.7
396.92358	3.4
408.51236	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	388.1757
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
50.95502	0.9
53.03939	1.7
55.01873	1.7
55.05524	3.0
56.05032	3.0
57.03436	3.1
58.99593	2.5
60.04515	1.2
65.03948	0.8
67.05511	1.3
68.05035	6.6
69.03428	1.7
69.07070	1.2
69.67433	4.6
70.02933	1.0
70.06598	9.3
70.67995	0.9
72.08155	1.7
76.02238	3.0
79.05505	8.8
80.05025	3.3
81.07063	40.2
82.06583	3.7
83.01337	1.9
83.06096	1.1
84.04507	32.8
84.08144	3.9
85.02899	1.8
86.06069	4.4
86.09703	4.7
86.99073	3.3
87.02637	1.4
88.02213	2.3
89.06036	2.9
91.05483	2.4
94.06570	8.1
96.04513	2.8
96.08144	4.1
98.06066	3.1
98.09695	7.2
102.05562	1.7
107.08575	1.5
109.06524	2.4
110.06021	1.2
110.09731	1.5
112.07639	0.9
113.04250	1.3
114.03721	1.3
114.05540	22.5
116.01686	13.9
119.04977	1.6
121.06563	1.1
122.06034	2.5
122.09679	1.6
123.04438	40.8
124.07612	2.2
124.11248	3.7
126.03747	2.4
128.07109	2.2
129.10291	1.8
130.05011	13.1
131.08612	3.1
135.04449	1.0
136.11250	2.5
140.07057	4.6
142.03279	10.5
142.05003	29.4
144.01114	4.4
144.04681	1.0
147.04446	5.4
147.11768	1.0
149.09604	4.4
151.03868	5.0
153.05453	3.6
153.06642	2.0
156.06581	2.9
156.08469	1.2
156.10234	2.5
159.08018	1.2
162.02197	4.4
163.03932	3.6
163.79417	0.8
164.10687	4.7
165.05464	1.9
166.12253	2.2
168.06578	14.0
170.02696	1.6
171.08080	0.9
172.04297	1.3
172.47899	0.9
175.07616	1.7
177.05562	3.1
177.09123	53.2
178.09734	0.9
179.04863	1.5
179.07045	2.0
179.10242	1.3
181.06070	1.0
183.05968	1.1
187.05409	2.9
187.07553	3.7
189.09210	2.3
191.10732	1.3
195.06496	0.9
199.05490	1.1
199.07541	2.6
201.09091	1.7
205.08617	2.9
207.13896	1.0
208.14174	2.0
210.11258	76.9
215.04790	7.5
216.07018	1.1
216.10170	6.3
217.08603	1.6
218.11790	8.6
229.06508	1.1
236.12825	43.9
238.08026	0.9
245.05943	5.0
247.07491	2.2
248.12856	7.2
259.11087	7.8
274.79449	1.0
285.07431	1.9
285.12659	1.9
291.06412	5.7
313.12164	9.2
321.11172	2.3
352.15546	1.1
357.13458	1.5
359.45413	0.8
370.16623	9.0
388.17862	100.0
389.18124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24792	0.4
52.68250	0.4
52.72017	0.3
55.01880	2.1
57.31556	0.4
67.05501	1.2
69.03429	1.9
69.15098	0.6
69.15504	3.6
79.03600	0.4
79.05493	3.9
81.07067	0.7
91.05481	4.4
93.07043	2.1
95.03996	0.4
95.04974	6.1
95.08602	2.9
105.07041	3.4
107.04990	0.5
107.08599	15.2
109.06503	3.3
109.10157	1.9
111.16483	0.4
115.05467	1.6
116.44604	0.4
117.07021	3.9
119.06065	0.6
119.08581	0.7
121.10130	0.8
123.04448	1.8
131.08562	2.0
133.10139	1.5
135.08060	100.0
139.03886	0.6
145.10124	0.8
147.04436	0.6
149.09615	1.3
149.13246	0.6
151.03922	1.2
165.05498	0.8
173.13246	3.0
191.14313	75.7
192.14737	0.9
193.08669	1.3
206.40073	0.5
208.11191	0.4
215.00194	0.5
219.10223	0.4
293.64478	0.4
329.10193	0.6
410.16684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
55.05518	1.0
58.83640	0.5
67.05520	0.6
69.03438	1.1
69.07074	1.0
70.71286	0.9
70.71635	1.1
71.05013	1.3
76.15794	0.5
77.03922	0.5
79.05502	1.8
81.07058	4.5
85.02908	1.8
85.06578	1.3
91.05477	3.9
92.91157	0.5
93.07057	3.3
95.08604	2.0
97.02896	0.8
97.06534	3.3
99.90286	0.6
103.90409	0.5
105.07035	17.1
107.08568	2.6
109.06548	1.2
109.10136	1.1
111.08075	0.8
115.05479	0.6
117.07013	1.4
119.08588	3.8
121.10147	2.7
123.04417	0.9
123.08092	2.0
129.06989	1.1
131.08578	31.2
133.10139	100.0
135.08063	3.4
143.08592	1.7
144.09290	0.8
145.10121	6.9
147.11676	3.1
149.09642	1.1
149.13268	2.7
156.95024	0.6
158.10912	4.5
163.11142	1.0
163.14792	1.0
173.13275	88.2
174.13573	0.8
190.13318	0.5
191.14319	77.1
192.14677	1.1
209.15344	1.5
210.11177	0.9
243.94019	0.6
388.25461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
57.07074	1.9
65.03944	1.7
67.05499	9.2
69.03436	2.9
69.07066	2.1
70.21612	3.3
70.21992	3.7
71.04998	22.8
75.20214	1.4
79.05511	9.8
81.07063	4.1
81.84923	1.6
83.04967	1.6
83.08623	6.0
85.02911	2.2
85.06551	67.4
86.09691	2.4
91.05481	7.1
93.07051	18.5
95.04956	2.0
95.08609	7.0
97.06540	10.2
105.07046	12.9
107.07884	2.3
107.08599	36.7
109.06521	6.3
109.10151	6.6
111.08092	12.1
117.07005	4.8
119.08571	5.9
121.10153	28.5
123.08066	9.6
127.03955	3.0
131.08575	12.2
133.10139	17.0
135.08075	18.6
137.05997	2.7
138.56189	1.6
142.00786	1.6
143.08566	2.4
145.10117	2.9
147.04373	3.3
147.11716	11.4
149.09639	5.5
149.13272	9.6
158.10867	2.9
169.17464	1.5
173.13268	33.5
185.04457	3.8
191.14322	100.0
209.15514	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03177	2.2
53.40475	1.9
55.05500	2.4
55.15119	2.1
63.84175	1.8
67.05499	5.7
69.03092	2.4
69.03438	37.6
69.07067	4.3
69.50942	13.0
79.05461	2.5
81.07059	5.8
83.04979	3.6
84.04484	8.7
84.09515	2.1
85.02895	8.5
85.06532	2.9
86.09238	2.2
86.09715	27.2
88.04001	2.9
91.05476	12.8
93.07044	2.7
95.08595	9.3
97.06548	4.7
98.21482	2.9
100.13062	2.1
102.05555	4.3
105.07026	6.0
107.08596	9.3
109.06532	4.8
109.10175	2.6
111.08079	3.6
119.08571	6.9
121.06487	2.1
121.10147	8.8
123.11732	5.3
125.09629	18.9
131.04964	3.1
131.08540	5.5
133.10172	4.7
135.08038	8.2
135.11696	4.2
143.09570	2.1
145.10217	2.8
146.11758	14.4
147.11705	3.4
149.09607	4.3
149.13321	2.4
151.11111	2.3
153.09128	5.8
163.14809	5.4
173.13266	17.7
191.14322	69.3
197.12854	3.1
209.15381	100.0
210.15646	2.1
215.13937	8.2
221.50262	2.2
231.63309	2.0
237.22795	2.2
273.07657	1.9
281.43192	2.1
365.45966	2.2
388.13947	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	389.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01870	2.7
55.05508	1.1
57.03431	3.6
61.02924	3.6
61.47945	0.9
67.01895	0.7
69.03433	33.3
69.07069	1.9
70.01348	2.6
71.04994	4.8
73.02928	4.7
75.12977	0.8
81.03422	41.2
81.07046	1.1
83.01344	0.9
83.04967	1.0
84.04531	0.9
85.02912	25.3
86.13549	0.8
91.05460	0.7
93.07035	1.4
95.04944	1.2
95.08611	2.0
97.02898	16.7
99.04453	9.7
106.23339	0.8
107.04901	0.8
107.08598	1.8
109.02139	1.7
109.02884	33.3
109.06526	1.6
109.10170	1.3
111.04454	1.0
115.03929	1.1
117.07012	0.8
119.08534	1.1
121.02850	1.5
121.10139	1.6
123.04419	2.1
123.11700	1.9
127.03926	30.8
127.28208	0.7
128.95714	0.9
133.04997	1.7
133.10149	1.8
134.10510	1.2
134.73076	0.8
135.08125	1.1
135.11696	1.1
139.03902	3.3
139.11209	1.0
141.11505	1.0
145.04962	7.0
149.02359	3.9
151.11238	1.2
165.09094	0.8
167.03412	16.9
172.31172	0.8
181.04854	1.2
185.04465	100.0
186.04797	1.4
187.06024	37.6
191.14447	0.9
205.07066	2.5
209.04503	2.1
209.15297	1.3
212.99815	0.8
227.05284	1.9
227.07245	1.1
227.14333	0.8
361.02185	1.8
384.04736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05503	1.4
57.03442	1.0
67.05495	2.2
68.58943	0.9
69.03418	2.6
69.07066	1.6
70.06583	2.4
71.04992	1.6
71.26065	1.7
79.05494	1.3
81.03406	1.0
81.07053	4.1
84.04467	0.9
84.08109	1.4
85.02912	2.4
85.06555	0.9
86.09691	1.5
91.05473	1.7
93.07031	1.7
94.06548	1.0
95.04942	2.4
95.08606	2.8
97.02871	1.4
97.06511	0.9
97.10155	1.0
97.50385	0.8
99.04414	1.0
105.06997	1.3
107.08575	2.1
108.04483	1.1
108.08089	1.1
109.02875	1.5
109.06519	1.0
109.10132	3.5
111.08034	1.4
119.08596	1.8
121.10142	2.6
123.04445	4.6
127.03875	1.3
131.08600	1.4
133.10121	2.9
135.08064	1.6
136.03947	1.3
137.06006	1.2
137.09602	1.5
139.03905	1.0
145.04918	1.0
146.06046	1.1
146.71875	1.1
147.04349	1.2
147.11697	1.0
151.03857	1.3
151.11188	1.2
158.09677	1.0
164.07024	0.9
165.05490	1.8
167.03351	1.2
169.07681	0.9
173.13234	1.4
177.05418	1.8
183.09073	1.2
185.04477	2.9
185.10756	1.3
189.08986	1.6
191.14307	1.0
198.07854	3.0
199.08661	15.1
199.12367	2.0
200.09296	1.1
209.08156	0.9
209.10722	1.2
209.15335	1.3
210.09206	1.5
211.08727	1.4
212.09370	4.8
213.06573	3.6
213.10222	15.2
214.07387	2.0
215.08199	1.3
219.06506	1.4
219.10130	2.8
224.09331	0.9
225.10347	1.4
226.10965	1.7
227.08177	16.3
227.11708	10.7
227.16521	1.4
228.08890	3.3
229.09669	3.9
236.09404	1.0
237.10234	3.2
238.08778	1.3
239.08173	2.0
239.11790	1.1
240.08626	4.3
241.06136	5.8
241.09712	35.8
242.10358	1.2
243.11287	1.9
245.12881	9.6
254.10448	1.3
255.07758	3.5
255.11288	38.9
256.08521	1.7
257.09180	5.9
259.10773	3.3
265.09753	3.2
267.11301	1.9
268.08435	2.1
269.09171	13.7
270.09787	1.9
273.12369	5.4
283.07495	2.8
283.10764	47.5
285.12366	1.3
293.09082	1.5
295.10718	5.9
297.08786	1.9
300.10983	2.1
301.08270	1.9
301.11789	5.3
311.10251	26.0
313.11868	10.2
329.11319	100.0
330.11743	1.1
339.09515	5.7
357.10812	61.2
371.12231	2.7
375.11462	1.2
389.13391	39.9
389.20886	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1576
Annotation	Flustramine A
Peak:m/z	Relative Intensity
52.38854	4.8
53.06876	5.7
55.05507	5.9
55.14587	5.2
58.99585	6.1
70.06597	8.7
71.03146	7.8
71.03465	5.1
72.08154	9.0
72.97489	5.4
73.39709	5.0
74.56438	4.5
75.18420	4.8
81.07079	34.3
82.07401	5.7
84.04510	16.2
86.09705	24.0
87.97914	5.0
99.56554	4.9
104.11761	4.8
116.01692	20.2
120.08083	5.3
123.04437	18.7
130.05051	8.1
133.10091	5.4
142.05048	9.8
162.02234	20.9
165.05522	20.3
177.09108	10.7
178.09485	13.0
183.42378	5.8
192.35982	5.0
196.54016	6.1
210.11368	5.8
211.11642	17.2
236.12950	6.4
237.13133	10.8
291.06458	20.1
322.53690	5.3
389.15445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1599
Annotation	Renealtin A
Peak:m/z	Relative Intensity
54.66044	0.6
55.01881	3.2
55.05521	1.1
57.03443	1.3
67.05499	2.6
68.99773	0.8
69.03429	1.2
69.07059	1.0
69.27981	5.3
71.05004	0.9
77.03924	1.2
79.05519	1.2
81.03425	2.3
81.07066	2.0
85.02910	1.6
91.05480	3.2
93.07035	1.1
95.04975	2.3
95.08610	0.9
97.02888	1.7
97.06573	2.9
105.03352	0.8
107.04967	1.5
109.02901	4.0
111.04424	0.8
115.05473	0.9
119.04964	9.0
119.08590	0.9
121.06545	1.3
123.04445	100.0
127.03930	2.0
131.04964	1.0
133.10124	0.7
135.04449	3.2
137.02361	2.0
137.05956	1.7
139.03917	29.3
141.09134	0.7
143.04921	3.2
145.10181	0.8
145.29684	0.7
147.04436	33.6
148.05075	0.7
149.06001	1.9
151.03923	44.5
161.06001	10.9
163.03935	6.4
165.05504	21.3
169.04997	1.5
173.06021	16.5
175.03986	0.8
175.07552	0.7
176.04709	3.8
177.05493	14.4
179.07028	3.9
181.05023	2.3
181.08606	3.3
183.10170	0.8
185.04483	1.1
189.05504	3.4
191.07039	5.1
191.10654	0.7
193.08630	52.0
203.07042	0.8
203.10666	0.8
205.08655	2.7
207.06573	12.6
207.10277	0.7
219.10201	17.4
223.09724	1.7
227.05560	2.6
231.06615	0.9
231.10117	1.4
237.11270	12.6
239.07030	0.8
249.07675	1.5
249.11304	3.0
265.09970	0.8
269.09241	2.2
285.07669	4.0
287.27081	0.7
291.08664	5.6
293.09222	1.8
303.08704	8.4
311.09137	3.0
321.08795	1.6
325.11942	1.5
327.12329	5.1
329.10245	13.1
345.13379	28.3
353.13956	5.9
371.15082	16.5
389.16507	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01865	3.3
55.05510	9.2
56.05033	3.4
57.03434	14.8
58.99290	1.9
58.99585	23.4
59.38155	1.3
61.01130	4.0
61.02921	2.4
63.74269	1.2
67.05522	7.3
68.05019	6.0
68.68771	1.2
69.03414	6.4
69.05355	1.8
69.07066	6.5
70.06606	9.6
71.04970	5.4
71.06921	2.4
72.08161	12.2
73.01124	4.3
73.02908	2.4
74.06058	4.3
76.02216	3.9
76.03989	5.9
79.05495	17.9
80.04997	3.6
80.05823	2.5
81.03417	1.8
81.07061	100.0
82.06578	3.0
82.07391	15.2
83.04998	1.4
84.04509	45.5
84.08122	3.8
85.02907	17.1
85.04178	1.5
85.04825	8.8
85.06544	3.4
86.06043	3.7
86.09711	25.5
86.99052	18.0
87.02699	13.6
88.02210	6.7
89.25010	1.2
91.05482	4.4
93.07037	7.7
94.06554	5.8
95.04975	41.5
95.06887	4.3
95.08592	4.2
96.04474	3.1
96.08128	1.8
97.02872	4.4
97.06532	4.8
98.06026	4.3
98.09682	1.9
99.04441	11.6
99.07484	2.5
99.08095	29.7
102.05541	2.0
104.07122	1.3
105.07024	4.4
107.08578	11.1
109.06503	3.0
109.10162	21.6
110.06009	1.4
112.03977	4.7
113.04241	2.3
114.03745	2.7
114.05545	23.1
115.05927	8.3
115.07584	3.0
116.01685	85.1
116.07098	2.8
117.02035	4.2
119.08577	5.2
120.08141	1.5
121.10159	4.8
122.06002	2.3
123.04434	7.1
123.11703	10.1
124.04797	2.4
124.11185	2.0
125.05981	1.4
125.11612	1.9
126.03712	2.5
127.03944	2.7
127.07568	2.8
129.06581	1.7
129.10269	2.2
130.05009	28.0
131.05321	5.0
131.08565	4.4
133.10138	37.7
135.08054	2.2
136.11234	1.8
137.11523	1.8
139.11185	3.3
140.07071	4.6
141.04781	2.7
142.03275	20.0
142.05008	36.5
143.03523	4.9
143.05368	11.7
143.11758	1.7
144.01154	26.0
145.01474	2.2
145.04980	2.9
145.10115	2.6
147.04451	3.3
149.09607	1.7
149.13258	4.9
151.03870	1.9
151.11153	9.3
153.06535	1.6
153.09131	18.8
154.05011	1.4
155.07062	2.6
156.06567	2.6
156.08322	2.4
157.06889	2.5
157.13338	1.6
158.11009	1.9
162.02213	74.8
163.02428	2.8
163.03860	1.3
163.14713	1.9
164.10776	1.7
165.11098	3.1
168.06578	10.8
169.01331	4.6
169.06915	7.5
169.12207	4.4
171.11308	2.2
173.13245	14.8
177.05530	1.7
177.09085	3.8
178.09464	6.4
181.04936	4.1
187.05400	4.1
187.10701	2.0
188.03903	2.5
188.05522	18.8
191.14334	24.2
199.07182	2.9
203.13963	1.7
205.11855	2.6
209.15382	47.1
210.11261	39.8
211.11606	62.6
215.04901	7.7
216.05116	5.0
216.06914	7.2
227.05423	4.1
227.09151	5.7
227.16391	3.9
236.12883	3.0
237.13213	6.6
245.05836	14.2
246.06146	3.1
257.07614	3.1
259.11185	2.7
260.09140	6.6
260.11545	4.7
268.12180	1.9
273.05438	4.2
286.11041	2.2
291.06445	62.6
292.06717	3.4
314.12454	9.3
371.16971	2.5
389.14224	37.1
390.14676	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01875	11.4
55.05513	26.0
57.03436	2.6
57.07059	2.7
61.02929	2.0
64.61882	1.6
65.03946	2.6
67.05507	15.1
69.03442	9.0
69.07068	10.7
70.06590	4.9
71.04977	6.4
71.52856	1.9
79.05482	8.8
81.03423	4.9
81.07063	28.5
83.04967	6.7
83.08613	4.8
84.04499	2.9
84.08145	56.3
85.02911	10.3
85.06542	13.3
86.09702	6.0
87.04484	2.4
91.05474	6.9
93.07050	20.5
94.06571	1.9
95.04967	7.9
95.08614	23.1
97.02876	4.3
97.06516	8.3
97.09556	2.7
97.10173	52.9
99.04423	5.2
99.08070	5.0
100.11272	2.7
105.07048	11.7
107.04971	3.4
107.08597	16.3
109.02876	4.3
109.06499	9.0
109.10162	21.8
111.04438	3.1
111.08085	100.0
116.76281	1.9
118.47690	2.0
119.08593	10.9
121.10149	15.6
123.04422	21.0
123.08074	5.4
123.11689	9.8
125.09637	11.3
127.03905	4.3
127.11237	2.3
130.08621	6.0
131.08562	4.6
133.10155	13.2
135.08032	3.9
135.11653	3.2
137.05878	2.9
137.09608	5.3
139.03876	11.2
139.11185	7.5
141.09099	2.3
143.08577	2.3
143.10693	16.8
145.10121	5.2
146.05914	2.4
147.04466	2.7
147.08069	2.5
147.11685	9.8
149.09634	3.4
151.03914	21.8
151.07556	2.5
151.11166	13.2
153.09084	2.7
153.12727	4.2
155.10638	2.8
157.10086	2.0
159.11646	2.9
161.09566	2.2
161.13156	3.4
163.03885	5.7
163.11186	3.1
165.05461	13.7
165.09108	2.9
165.12746	10.7
165.57912	2.0
167.03526	1.9
167.10690	2.9
169.12268	20.6
171.10136	4.3
173.13249	7.0
177.05466	3.8
179.10686	6.3
181.04955	4.3
181.12224	4.0
183.13821	4.6
185.04475	6.4
187.06000	2.0
188.07080	2.2
189.11279	4.3
191.10649	4.4
191.14323	5.6
203.17952	2.1
209.04445	2.4
209.11693	5.0
209.15381	9.5
219.06599	4.7
221.11888	9.2
227.05547	2.9
227.16455	4.3
255.11339	2.2
269.09106	2.1
277.18082	2.7
283.10611	2.5
287.05682	2.5
289.21490	2.9
299.20053	3.5
303.04904	2.3
305.21167	2.5
308.25757	2.8
311.10001	3.6
317.10205	4.1
317.21118	8.5
319.08179	5.0
329.11276	3.5
335.22180	15.7
339.09915	1.9
353.23117	11.9
353.27820	7.9
357.10840	4.0
363.64630	1.8
371.28958	13.8
377.01541	3.0
389.13425	5.9
389.20706	3.3
389.30063	7.6
389.81012	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.3
57.03435	6.0
57.07082	7.7
59.90476	4.8
67.05507	84.0
69.07081	40.8
71.04979	7.1
76.35138	4.4
79.05499	33.5
81.03445	7.3
81.07061	100.0
83.04984	8.0
83.08620	18.1
85.02911	7.4
85.06546	9.7
91.05492	16.6
93.07043	50.4
95.05010	6.7
95.08614	87.6
97.02859	4.6
97.06528	7.7
97.10171	14.2
105.07021	14.5
107.08607	27.0
109.10161	44.0
111.08078	6.2
119.08567	14.5
121.10145	30.3
123.08035	5.2
123.11729	17.4
125.09563	4.7
131.08577	11.7
133.10106	16.7
135.11731	21.7
137.13254	5.0
145.10048	5.1
147.11679	12.3
149.13313	11.0
159.11685	10.9
161.13329	8.3
185.04468	12.9
230.95023	4.4
243.21078	8.0
255.96280	5.0
261.22137	32.9
279.23141	76.2
297.24237	17.4
353.26901	49.2
371.27866	64.4
389.25046	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	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94364	1.1
53.03952	1.7
53.83032	1.1
55.01884	1.1
57.03439	2.8
57.71595	1.1
61.02938	5.2
69.03442	9.0
70.06574	3.3
70.10180	2.0
70.10562	2.7
71.04964	1.2
73.02927	1.8
77.42601	1.1
81.03413	5.4
84.04507	4.4
84.08150	2.6
85.02915	34.8
86.09702	3.9
87.04467	1.6
91.03966	1.6
95.04943	1.3
97.02898	10.1
98.51635	1.0
98.97611	1.7
99.04481	1.9
105.07123	1.3
109.02861	2.8
114.05531	2.1
116.98610	1.1
123.04449	5.8
127.03938	6.5
139.03946	2.2
142.05017	2.3
145.03909	1.5
145.04976	13.5
151.03946	5.1
161.06030	2.7
162.09402	1.1
165.09120	8.4
169.04990	10.3
177.05571	1.3
179.03418	14.4
193.08643	4.2
197.04478	100.0
198.04744	1.4
211.09636	3.7
212.12857	5.2
258.79330	1.0
271.53915	1.1
359.09708	9.3
369.80005	1.1
390.17960	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.4
56.48179	1.0
57.07062	1.4
61.02929	1.8
67.05497	4.1
69.03416	1.6
69.07076	6.0
69.97661	1.7
69.98011	4.4
71.04986	4.8
79.05494	7.1
79.18188	1.1
81.03373	1.4
81.06656	1.4
81.07066	15.7
82.48821	1.1
83.04977	2.1
83.08621	2.0
85.02929	6.4
85.06541	2.8
86.09720	1.3
91.05483	11.6
92.13868	1.0
93.06490	1.6
93.07055	32.4
95.08607	13.2
97.02909	2.6
97.06493	1.3
98.21465	1.4
99.04504	1.0
100.44108	1.0
105.07039	16.2
107.08606	40.7
109.10136	6.2
111.08080	3.8
113.09664	1.2
117.07039	1.5
119.08587	42.4
121.10124	2.7
122.10413	1.4
123.08032	2.6
123.11717	7.7
125.09689	1.2
127.03921	1.9
131.08557	1.5
133.10138	59.0
135.11702	99.2
137.09639	5.3
145.10172	1.5
147.11697	6.5
149.13229	1.2
175.14839	100.0
186.04921	1.4
193.15898	43.1
211.16963	3.9
260.02399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01873	7.0
55.05268	1.5
55.05514	22.0
57.03434	7.1
57.07082	11.5
57.16642	1.0
67.05505	19.6
69.03435	1.6
69.07071	26.8
71.08645	7.4
71.52467	1.4
74.41125	1.0
79.05496	14.6
81.07065	31.8
83.04974	3.0
83.08617	19.8
83.36861	1.1
85.06536	1.5
85.10175	2.0
91.05489	12.3
93.07047	26.6
95.04974	21.7
95.08067	1.4
95.08614	17.1
97.06539	9.7
97.10179	14.0
98.98470	79.1
103.05446	1.2
105.07032	19.4
107.08598	15.2
109.06520	3.0
109.10154	8.9
109.68348	1.1
111.08071	4.0
111.11709	3.8
111.44283	1.1
115.05484	1.3
117.07017	4.9
119.08595	15.7
119.09399	2.0
121.06499	4.3
121.10153	21.0
123.08124	1.6
123.11727	5.3
125.09628	1.6
125.13281	1.4
128.06218	3.6
129.07027	5.7
130.07793	1.5
131.08572	6.9
133.10138	8.1
135.08099	1.8
135.11700	12.8
137.13217	3.7
139.11140	1.3
141.06992	2.7
142.07756	3.7
143.08577	8.9
144.09302	1.2
145.10150	11.3
147.08086	2.5
147.11696	2.7
149.02345	15.0
149.09593	1.2
149.13245	4.0
154.07736	1.4
155.01051	100.0
155.08536	7.2
156.09387	6.1
157.10138	14.8
159.08040	3.1
159.11703	6.3
161.09596	4.2
163.14888	1.7
165.06978	3.1
167.03433	1.8
167.08551	4.7
168.09315	1.8
169.10152	9.2
170.10907	3.0
171.11710	9.9
173.09706	1.2
173.13263	3.6
175.11327	1.2
179.08572	4.9
180.09320	2.6
181.10092	5.5
182.10933	2.3
183.11690	8.1
184.12473	1.5
185.09578	1.4
185.13304	5.8
187.11166	1.1
187.14851	5.6
193.10107	6.4
194.10941	2.9
195.11731	9.3
196.12465	3.1
197.13272	10.8
199.11171	2.9
199.14803	2.7
203.14301	2.4
205.10170	1.7
205.15891	2.6
206.10954	3.5
207.11740	6.4
208.12457	3.7
209.13289	8.6
210.13982	1.4
211.14777	5.8
213.12729	3.3
215.14363	1.1
217.10201	1.3
219.11678	3.4
219.21045	7.8
220.12480	1.6
221.13232	8.0
222.14034	1.9
223.14798	6.3
225.16484	2.1
231.11591	3.5
232.12518	2.3
233.13286	3.6
234.14009	1.7
235.14764	5.7
236.15669	1.8
237.16391	3.4
237.22147	25.0
239.14447	1.6
241.15993	1.6
245.13284	1.7
247.14861	3.6
248.15767	2.3
249.16493	5.4
251.14536	1.1
251.17918	5.8
253.15916	1.3
255.17548	1.7
259.14728	1.7
260.15656	1.3
261.16449	2.5
262.17380	1.5
263.17935	2.3
264.18692	1.8
265.19589	2.3
267.17480	4.2
269.18982	4.3
271.20828	1.1
273.16434	1.5
274.17126	1.4
275.17999	2.3
277.19452	2.5
279.17569	1.3
281.19052	1.4
282.19806	5.3
283.20645	1.5
287.17639	1.3
289.19498	3.8
291.17526	1.3
293.19009	1.3
307.20584	3.0
317.18927	1.6
329.22614	2.2
337.39545	1.2
355.23944	1.9
373.25266	12.4
391.26331	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90944	0.7
53.03941	1.2
55.01884	5.2
55.05272	1.2
55.05519	18.7
55.65604	0.7
57.03439	7.7
57.07083	8.7
63.40853	0.7
67.05512	13.0
69.07079	24.2
69.92339	3.3
71.08629	4.3
79.05508	8.9
81.07067	15.6
83.04980	0.7
83.08150	1.3
83.08627	19.2
85.06522	1.0
85.10158	1.7
91.05472	1.5
91.48801	0.7
93.07057	10.9
95.04987	1.7
95.08624	11.2
97.06525	5.0
97.10184	14.4
98.98481	83.4
105.07077	0.9
107.08598	5.7
109.10186	5.5
111.08141	3.4
111.11730	6.0
116.99482	1.4
119.08621	0.8
121.10171	14.7
123.11737	3.4
123.42857	0.7
125.09618	1.2
125.13317	0.8
133.10132	0.7
133.15494	0.7
135.11700	9.3
137.13263	2.4
149.02373	3.5
149.13264	2.6
151.14893	1.0
155.01065	100.0
157.10126	1.2
163.14842	1.3
195.11723	0.8
219.21138	8.7
221.13329	0.9
237.22147	21.6
249.16302	1.0
268.79248	0.7
276.04401	0.8
357.42920	0.7
373.25638	1.2
391.26495	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.07073	13.0
65.03955	4.7
67.05503	18.7
69.03429	5.7
69.07066	10.2
71.08630	9.3
71.46858	3.2
71.52055	4.2
71.52396	4.2
79.05492	22.6
81.07068	28.6
83.04992	5.4
83.08584	4.4
91.05492	35.5
93.07045	39.1
95.04961	29.5
95.08621	19.9
97.06519	5.7
105.07034	60.9
107.08620	22.7
109.06514	12.1
109.10148	9.8
117.07027	14.0
118.38467	3.6
119.08594	47.7
121.06496	10.9
121.10120	24.3
123.08099	5.0
123.11671	4.3
128.06268	7.8
129.07004	14.1
130.07802	5.1
131.08548	24.4
133.10152	17.6
135.08075	8.2
135.11723	4.2
141.06998	7.3
142.07828	17.3
143.08554	29.4
145.10138	43.1
147.08090	5.0
147.11708	10.6
149.02350	64.6
155.08575	12.6
156.09373	9.3
157.10139	29.2
158.10896	6.1
159.08112	10.8
159.11720	17.5
161.09593	8.9
165.06984	6.5
167.03377	7.2
167.08580	9.3
168.09369	5.6
169.10204	23.7
171.11725	17.0
173.09665	9.8
173.13264	16.4
175.11108	3.7
175.14774	3.7
179.08513	5.9
180.09418	6.1
181.10086	18.8
182.10893	5.5
183.11729	19.3
185.09596	4.5
185.13283	3.9
191.14287	4.5
192.09465	4.2
193.10164	14.1
194.10880	7.9
195.11746	14.3
196.12334	4.7
197.13272	9.7
199.11180	5.9
199.14819	5.5
201.12732	5.1
205.10016	6.3
207.11722	12.0
209.13254	17.4
211.14757	9.7
213.12810	4.1
217.09958	5.4
219.11688	4.0
221.13257	10.1
222.14058	3.8
223.14832	10.9
225.16411	4.1
227.14363	8.4
233.13168	6.3
235.14816	12.8
244.12465	4.1
246.14091	6.1
247.14792	4.7
249.16411	10.4
251.17999	5.9
261.16501	4.3
263.18039	7.1
267.17542	4.8
273.16174	5.0
277.19495	5.4
282.19839	5.5
297.18503	4.8
307.20560	5.4
308.21564	4.9
317.19308	4.9
335.19675	5.7
345.25800	4.3
373.25262	14.9
391.26315	100.0
391.36133	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
54.27084	1.2
55.05518	10.1
57.07071	4.9
59.04983	2.8
65.03944	2.4
67.05502	13.9
69.03432	3.4
69.07066	7.4
69.67172	4.7
69.67583	4.0
71.04973	2.2
79.05491	21.1
81.07062	32.1
83.04964	4.6
83.08616	1.9
85.06542	3.3
91.05482	29.0
93.07049	34.2
95.04971	36.2
95.08614	19.0
97.06535	4.8
98.20795	2.5
103.05452	3.0
104.91304	1.4
105.04511	3.0
105.07036	51.5
107.08604	18.6
109.06538	8.4
109.10154	9.8
115.05449	1.9
116.06228	2.7
117.07034	15.1
119.08591	48.3
121.06526	11.1
121.10154	21.4
123.08083	2.2
123.11713	3.8
128.05409	1.6
128.06192	8.3
129.07016	12.2
130.07793	6.4
131.08585	22.5
133.06529	2.9
133.10139	15.4
135.08046	4.0
135.11691	2.4
141.06978	6.2
142.07796	13.1
143.08562	27.7
143.09677	1.5
144.09358	6.7
145.06474	2.2
145.10126	41.1
146.10944	1.6
147.08063	5.9
147.11705	13.2
149.02315	7.6
149.09624	3.7
153.06953	3.6
154.07808	2.7
155.08562	13.6
156.09392	11.0
156.49277	1.8
157.08948	2.8
157.10147	32.8
158.10838	2.2
159.08078	4.9
159.11725	14.7
161.09654	5.4
161.13240	2.4
163.11197	2.4
165.07042	6.2
166.07809	4.2
167.08601	8.3
167.10667	2.3
168.09338	4.6
169.10132	20.4
170.10867	3.3
171.08083	2.3
171.11697	16.8
172.08931	1.6
172.12354	2.1
173.09650	6.3
173.13249	13.9
175.11188	4.4
178.07745	2.0
179.08543	10.5
180.09393	4.4
181.10103	12.6
182.10960	7.4
183.11691	19.1
184.12476	2.6
185.09608	4.1
185.13313	9.1
187.11191	2.1
187.14862	3.3
189.12720	2.5
191.14381	5.8
192.01106	1.6
192.09386	4.2
193.10168	13.7
194.10892	8.0
195.11697	14.9
196.12477	3.1
197.13245	15.7
199.11203	7.8
199.14845	5.4
201.12781	4.3
203.14407	2.7
205.10172	4.7
206.10902	3.7
207.11714	13.2
208.12476	8.6
209.09579	2.5
209.13260	14.9
210.14072	2.7
211.11171	3.9
211.14786	7.6
213.12807	4.0
215.14246	2.5
217.10213	3.2
218.10959	3.0
219.11786	7.0
220.12479	5.5
221.13306	13.5
222.13908	1.9
223.11263	2.6
223.14789	10.9
224.15617	2.4
225.12814	2.9
225.16449	1.8
227.14375	4.4
231.11745	4.2
232.12485	2.7
233.13261	7.9
233.15431	3.5
234.14055	4.2
235.11082	1.8
235.14810	10.5
236.11761	1.5
236.15588	2.1
237.12794	3.0
237.16364	4.8
238.17146	2.1
239.14378	2.0
239.17830	1.9
241.15868	2.3
243.11676	2.4
244.12439	3.9
245.13330	4.9
246.14099	3.8
247.14813	5.6
248.15677	2.3
249.12790	3.1
249.16420	16.0
251.14371	3.8
251.17873	2.8
253.15834	1.7
255.17450	1.7
258.13925	1.7
259.14886	3.5
261.16486	4.2
263.17929	6.5
264.18781	2.9
265.16226	2.0
265.19293	2.8
267.17441	4.2
267.20398	1.6
268.18314	1.7
269.13205	1.8
269.19003	5.3
271.20505	1.8
273.16440	2.7
275.17957	5.2
277.19479	3.6
279.17508	4.3
281.18945	3.9
282.19827	8.9
283.20578	2.7
284.15582	1.6
287.18088	1.7
289.19659	3.7
291.17459	4.2
293.18939	2.9
295.20599	4.1
297.18607	4.3
303.17596	2.0
305.19083	2.7
307.20590	3.5
308.21228	3.5
311.19855	1.8
317.19095	3.3
318.19815	1.5
335.20041	6.7
337.17770	1.4
345.25912	1.9
347.23529	2.4
355.24289	2.3
363.26718	2.0
373.25333	17.1
391.26328	100.0
392.26520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.0
57.07068	3.3
59.04993	1.6
63.50935	1.3
65.03952	1.8
67.05499	6.5
69.07061	5.7
69.27194	13.2
71.08612	2.5
79.05506	11.9
81.03417	1.8
81.07060	22.6
83.04968	2.1
83.08637	3.7
85.06514	3.1
91.05486	20.0
93.07051	24.6
95.04981	25.4
95.08615	9.6
97.06536	4.4
97.49027	1.3
98.61381	1.4
103.05526	1.7
105.07039	35.1
107.08614	13.4
109.06511	7.4
109.10168	7.2
115.05449	1.5
117.07017	6.4
119.08590	29.9
121.06490	8.6
121.10137	16.3
123.08107	2.8
123.11675	2.2
128.06244	5.1
129.07025	7.9
130.07793	4.0
131.08563	12.5
133.06497	2.5
133.10152	11.5
135.08052	4.7
135.11652	2.3
137.09645	2.3
141.06967	4.3
142.07809	9.2
143.08554	16.6
144.09328	3.1
145.06487	2.4
145.09033	2.6
145.10123	24.4
147.08060	5.3
147.11684	6.7
149.02341	12.9
149.09631	3.5
153.07008	2.1
155.08589	7.3
156.09373	6.0
157.10133	17.2
159.08066	6.4
159.11716	10.9
161.09616	8.9
165.06989	4.1
166.07838	3.4
167.03410	2.4
167.08591	5.8
167.10715	3.4
168.09373	3.0
169.10141	12.8
170.10947	3.9
171.11699	12.6
172.08855	2.1
173.09639	7.7
173.13338	7.4
175.11183	3.2
178.07674	1.7
179.08601	6.7
180.09404	3.0
181.10104	8.3
182.10878	4.1
183.11711	10.9
185.09636	4.2
185.13297	6.5
187.11118	2.3
187.14867	2.1
192.09387	2.9
193.10179	8.7
194.10944	4.5
195.11664	10.5
196.12515	2.6
197.09645	3.6
197.13246	11.0
199.11205	4.6
199.14842	3.9
201.12749	2.8
203.08588	2.6
205.10193	4.4
206.10963	3.9
207.11679	9.8
208.12527	4.6
209.09802	1.6
209.13246	11.5
210.13974	1.5
211.11201	1.9
211.14847	6.3
213.12735	2.7
215.14305	1.5
217.10178	1.5
218.10912	2.2
219.11789	4.0
220.12456	2.6
221.13242	8.7
223.11188	2.5
223.14796	8.2
225.12799	4.7
225.16463	1.6
227.14331	1.9
230.10883	2.4
231.11763	3.6
232.12567	2.4
233.13283	6.7
233.15373	2.3
234.14024	3.3
235.14899	7.1
237.12762	2.4
237.16286	4.2
239.14328	2.8
240.15001	1.9
243.11690	3.2
245.13293	4.1
246.14055	3.6
247.14862	6.0
249.12717	2.3
249.16371	8.6
251.14259	3.1
251.18074	3.4
253.15910	2.2
253.19513	2.5
259.14841	3.5
261.12817	1.6
261.16360	3.7
263.18008	5.2
264.18640	2.4
265.15976	2.0
265.19522	1.8
267.17517	2.7
271.20578	1.8
273.16342	2.6
275.14691	1.5
275.17963	3.5
277.19611	3.2
279.17468	4.4
281.19034	2.1
282.19849	2.5
283.20502	2.0
284.15503	1.8
287.17972	2.1
289.19629	2.8
291.17471	2.3
293.19009	2.2
295.20578	2.2
297.18594	5.3
299.17621	2.4
305.19012	2.1
307.20590	2.6
309.22253	1.8
311.19916	1.6
317.19089	4.0
329.22955	1.6
335.20132	4.1
345.25775	3.2
350.23169	1.5
355.24158	1.8
363.27127	1.8
373.25217	18.2
391.26337	100.0
392.26749	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	391.2692
Annotation	bhos#24
Peak:m/z	Relative Intensity
50.55439	5.3
51.14923	4.9
53.73197	4.8
55.05509	29.4
57.07066	12.5
67.05515	29.6
69.03430	10.3
69.07073	31.7
69.25550	46.7
70.06603	6.2
71.05005	7.0
71.08634	16.7
79.05505	26.9
81.07067	71.9
83.04979	13.9
83.08620	9.9
85.02913	6.3
85.06578	9.1
91.05487	31.2
92.05843	6.3
93.07039	38.2
95.04962	48.5
95.08598	35.2
97.06536	12.5
97.10170	23.6
99.04449	8.8
99.29680	5.0
100.11220	9.8
105.07024	20.7
107.04941	6.3
107.08598	23.4
109.06528	46.5
109.10191	36.1
111.08092	9.7
111.11747	8.9
117.06987	7.5
119.08590	38.7
121.06538	7.3
121.10158	22.5
122.92175	5.0
123.11720	27.9
123.19372	5.0
130.04984	13.4
131.08548	9.2
133.10153	15.0
135.08078	17.4
135.11699	26.3
137.09605	15.6
139.11201	15.8
145.10123	16.4
147.11688	7.1
149.02350	100.0
151.11150	5.9
153.12755	5.5
157.10161	11.9
157.12299	10.0
159.11673	8.8
161.13248	5.5
163.11174	11.3
164.88882	5.1
167.03415	15.4
169.12260	11.8
173.13383	5.4
183.11853	5.9
183.17453	5.5
185.13249	5.5
195.50482	5.6
210.01819	5.5
251.16528	6.7
253.18175	7.9
262.10828	5.2
273.22156	6.5
301.21609	19.4
319.22540	30.1
373.18103	5.7
391.17120	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	392.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05518	1.5
56.05036	1.2
57.03439	11.8
58.69236	0.7
58.99583	7.9
65.03937	1.0
65.69583	0.9
67.05500	2.2
71.16493	1.5
73.01134	1.0
76.02231	38.7
76.03983	1.8
81.07050	1.2
81.97293	0.7
83.06116	2.5
84.04508	25.8
84.08162	7.2
85.01160	0.7
85.06547	18.9
86.00683	1.0
86.99048	4.5
87.02666	0.9
88.02234	2.4
89.00631	2.1
89.04280	1.3
99.02683	5.2
101.04243	1.5
102.05552	2.0
108.08129	1.1
109.08884	0.9
112.03984	2.2
113.04329	1.3
116.01688	15.8
116.05341	2.2
116.07111	0.9
117.03724	75.8
125.04205	4.4
129.06586	4.7
130.05019	12.0
131.05473	0.9
142.03226	2.8
142.06866	11.6
142.08583	4.8
143.05255	6.1
144.01143	7.7
145.06148	0.9
149.02361	1.5
150.02638	1.0
160.07927	18.3
162.02214	27.3
163.38530	0.8
170.02759	1.3
179.04869	17.6
187.05322	1.5
190.92198	0.9
202.05334	1.5
203.97232	0.8
215.04868	1.0
221.51376	0.7
228.06952	1.9
233.05916	3.5
245.09566	100.0
246.07889	6.6
246.10049	1.1
263.10574	8.3
270.87415	0.8
271.11026	1.1
291.06943	0.8
299.10593	2.4
317.11658	13.5
329.11890	1.0
392.14932	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03429	0.7
69.03419	2.5
70.06599	1.4
70.77640	1.4
72.08163	0.8
79.05491	2.7
81.03419	1.7
84.04502	0.7
85.02911	9.6
86.09708	1.3
87.04469	0.7
91.03947	0.9
91.05486	1.9
95.04958	0.8
97.02898	2.8
99.04440	1.0
102.02583	0.6
103.05486	2.8
105.07025	2.7
106.04147	0.7
107.04958	38.1
107.08569	1.5
109.02856	1.1
115.05449	1.3
116.07097	0.7
117.07015	1.1
120.05827	0.6
120.08078	1.1
121.06496	0.9
123.04427	2.0
124.05233	1.5
127.03951	1.6
131.04916	2.2
133.06459	0.8
135.08055	11.0
145.04939	1.1
145.07558	1.0
147.04364	0.6
149.02309	1.9
149.06018	0.7
151.03876	0.8
151.07539	5.4
152.04666	1.1
154.06203	1.9
163.07553	27.7
167.07045	81.7
168.07449	0.7
177.09071	1.5
180.07843	2.5
181.08635	1.1
195.10176	27.6
213.11226	100.0
310.25656	0.7
321.13443	0.7
327.32269	0.7
375.11914	1.9
392.19653	0.8
393.21039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05501	5.3
57.03432	5.9
57.07080	3.0
67.05183	2.1
67.05514	29.7
68.19388	1.6
69.03425	3.6
69.07065	9.8
70.06576	2.2
71.04990	2.8
72.08134	1.6
73.02866	1.5
79.05496	14.7
81.03417	3.5
81.07062	37.1
83.04983	5.8
83.08621	7.5
85.02925	8.5
86.09704	3.6
91.05499	8.5
93.07049	29.7
94.04479	1.4
95.04975	2.5
95.08611	10.1
96.75433	1.3
97.02868	4.0
97.06528	7.5
99.08073	3.3
105.07021	3.6
107.04965	2.9
107.08599	15.1
109.02888	2.2
109.10167	3.1
111.08060	3.2
113.09625	1.6
117.07013	4.1
119.08607	2.5
120.08131	12.3
121.06526	2.5
121.10182	12.5
123.11691	2.2
127.03902	3.4
131.08565	3.8
133.10141	5.1
134.09647	3.4
134.62971	1.5
135.11700	10.6
145.04935	2.4
147.11679	1.5
148.11263	1.5
149.02353	5.4
149.09691	2.1
149.13263	40.0
150.02711	2.4
153.09062	1.8
159.11720	14.8
176.14378	2.0
177.12804	14.2
180.08766	2.2
195.13823	100.0
213.14870	38.6
213.16887	2.0
234.14725	1.6
237.12297	2.7
264.12341	4.4
278.13861	10.0
294.17078	8.4
311.88232	1.4
339.17902	1.6
392.24283	22.7
392.28485	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	393.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13675	1.7
56.05032	2.2
57.32862	1.8
58.94909	1.5
69.03426	3.4
70.06578	5.6
71.51733	2.6
72.08141	2.7
84.04472	1.9
84.08130	1.6
85.02898	3.0
86.09700	2.6
94.12322	1.6
96.25350	1.5
97.02897	2.6
98.96458	1.5
101.00904	8.7
112.07551	1.6
113.00876	4.9
115.02363	1.9
115.28217	1.6
117.86298	1.8
119.01929	8.7
127.02419	2.3
127.03883	2.4
131.01910	10.5
133.03452	3.1
143.01956	8.4
143.05476	2.3
145.03519	7.6
155.01906	13.5
156.02644	2.2
157.03482	4.8
159.05054	3.9
161.02968	6.3
161.06586	6.9
167.05580	3.1
169.03471	1.6
171.05078	3.4
173.03001	15.5
173.06583	2.4
177.05838	1.5
179.07697	2.1
185.02969	6.7
185.06607	26.2
187.08138	8.6
189.06090	3.9
197.06601	20.8
199.08125	10.0
203.04018	14.3
203.07695	9.7
210.03827	1.7
213.06084	3.6
215.07680	11.3
217.09279	2.5
221.05069	32.8
221.07013	2.3
227.07640	6.9
231.07246	2.0
239.07581	4.6
243.07195	4.5
245.05107	7.9
246.10008	2.9
247.53784	2.0
259.06622	9.9
261.08240	14.5
269.08694	21.6
271.06589	2.7
273.08282	3.3
287.09772	100.0
288.09857	4.0
289.07739	5.0
305.10831	86.9
306.11041	2.4
315.09265	5.7
333.10318	19.4
351.11401	51.1
351.15735	3.4
393.12534	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41651	0.4
68.05029	2.2
68.99796	0.4
69.03436	0.6
70.06557	1.4
70.44597	1.5
72.08130	1.0
72.79586	0.4
81.03422	0.7
84.08112	1.1
85.02898	0.9
86.09682	1.4
91.05455	1.1
95.05000	0.5
95.08607	0.5
97.02875	0.6
98.66369	0.5
98.69273	0.7
119.04910	1.2
125.09676	0.4
127.06577	0.4
130.04982	0.9
137.05957	1.6
140.03394	0.8
147.04410	6.8
151.03871	0.6
166.07336	0.5
172.06024	1.0
178.58585	0.5
179.10704	0.6
189.05420	1.0
197.11801	0.7
201.06482	0.9
202.07222	2.5
203.08003	1.7
204.08813	7.3
214.07172	0.6
215.07994	2.0
216.08810	100.0
217.09502	3.4
218.10388	5.9
225.06462	10.6
226.07196	3.3
227.08014	1.1
228.08702	1.0
229.09590	1.5
230.10374	10.4
231.06586	1.7
236.06290	0.6
240.08812	56.3
241.09561	2.4
243.06488	2.5
246.09909	7.0
258.09885	2.4
268.08328	5.4
272.11417	4.4
273.07516	2.8
283.09424	1.5
297.07730	1.4
300.10922	53.3
301.11160	0.7
311.08798	0.8
315.12076	0.8
333.13034	2.5
343.11484	2.2
347.13196	0.6
361.12607	5.9
375.14166	5.6
393.15219	37.9
394.15430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47688	0.3
56.00691	0.3
58.36881	0.3
74.44223	0.3
81.07051	0.5
91.05500	0.4
95.08595	0.6
105.03389	0.3
105.07037	0.3
106.16210	0.3
107.08603	0.6
131.08461	0.3
133.10168	0.5
135.08026	1.5
146.87563	0.4
147.04373	0.4
171.06642	0.3
200.88644	0.3
203.05246	6.1
204.29303	0.3
213.12537	1.0
230.02792	0.3
393.18823	100.0
394.19214	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1886
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
52.46558	0.3
53.03953	0.4
53.57893	0.3
55.01872	0.4
65.03499	0.3
67.05501	0.6
69.03413	0.9
69.45016	1.1
69.45451	1.4
70.06561	0.5
72.08157	0.4
73.55985	0.3
75.07112	0.3
79.05485	1.2
81.07048	0.8
86.09713	0.9
87.10065	0.4
88.57452	0.3
91.05475	1.2
93.07040	1.0
95.04977	1.2
95.08623	1.6
105.03407	4.7
105.07024	1.3
107.08591	3.6
108.08954	0.4
109.06510	0.6
109.10152	0.6
112.74666	0.3
117.07046	1.2
121.08424	0.3
121.10175	0.7
123.85655	0.3
129.93234	0.3
131.08578	0.4
133.10057	0.4
135.08063	21.0
136.08434	0.3
145.10088	0.4
149.02391	0.4
149.09633	0.5
163.03864	0.5
173.13229	0.6
191.14351	0.9
203.05257	10.1
203.07126	0.6
213.12515	2.8
230.12100	0.4
231.13687	0.4
239.06966	0.4
271.06015	1.5
283.06061	0.5
357.62631	0.3
393.18845	100.0
394.19260	2.2
407.46341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02100	2.1
53.03943	5.8
53.93443	2.4
55.01868	3.1
55.05519	19.1
55.89053	2.0
57.07083	10.6
59.04963	1.9
65.03940	6.6
67.05509	33.5
69.03419	4.8
69.07074	21.4
70.72276	2.1
70.96955	4.2
71.05035	1.8
71.33282	1.8
71.81467	2.1
79.05502	41.6
81.07069	64.0
83.04981	5.2
83.08617	9.7
85.06541	3.9
91.05490	53.8
93.07052	86.1
93.07642	5.1
95.04981	57.3
95.08617	57.9
95.16932	2.0
97.06563	12.8
98.98502	5.2
99.08058	3.3
105.07041	100.0
106.07799	2.5
107.08602	49.8
109.06529	16.2
109.10175	34.5
115.05479	5.9
117.07020	21.9
119.08601	100.0
121.06513	21.1
121.10165	38.2
123.08112	5.8
123.11722	12.6
128.06218	12.2
129.07047	16.4
130.07771	11.0
131.08589	41.2
133.10146	57.9
135.08073	7.5
135.11710	23.5
137.09612	5.0
141.07002	8.2
142.07799	21.7
143.08574	41.3
144.09363	10.8
145.06532	3.7
145.10141	69.7
147.08073	3.9
147.11699	21.8
149.09621	5.9
149.13330	2.9
153.07011	2.7
154.07764	3.4
155.01033	8.0
155.08626	13.9
156.09311	12.9
157.10146	64.6
158.10837	4.9
159.08067	8.1
159.11707	47.3
161.09651	24.2
161.13295	8.4
163.11176	4.8
165.07060	4.1
167.08574	5.7
168.09370	2.9
169.10176	22.8
170.10933	6.3
171.11682	25.4
172.08749	2.4
172.12593	5.6
173.09619	6.7
173.13297	23.2
175.11206	10.8
175.14845	20.1
179.08562	6.7
180.09325	4.5
181.10120	14.4
182.10994	4.5
183.11710	22.0
184.12439	4.0
185.09669	2.2
185.13318	13.4
187.11201	8.0
187.14786	13.0
189.16408	3.0
192.09389	3.5
193.10132	6.3
194.10989	5.3
195.11722	11.9
196.12503	4.1
197.13272	15.0
198.13930	2.9
199.14824	7.3
201.12697	4.1
201.16437	7.2
205.10219	3.2
206.10912	3.5
207.11679	6.0
208.12675	3.1
209.13345	11.2
211.14886	10.3
212.15237	2.3
213.16243	3.2
217.15912	2.2
219.11720	2.5
219.17337	3.1
221.13214	5.4
223.14812	10.1
225.16443	6.2
227.14478	2.7
235.14842	7.3
237.16486	4.5
239.14325	3.8
239.17960	3.0
241.19563	4.2
249.16170	3.0
253.15921	6.9
253.19501	4.2
265.19553	7.1
281.19046	3.7
293.19043	2.4
295.20660	2.4
375.26855	8.5
393.27875	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98663	2.8
53.03929	8.8
55.05509	15.6
57.03425	4.4
57.07084	21.9
60.70201	3.1
65.03929	4.0
65.58753	2.6
67.05511	32.4
67.34845	3.0
69.03422	3.7
69.07073	25.0
71.08627	11.5
74.10419	2.6
79.05507	36.6
81.07064	64.9
83.04966	7.0
83.08616	10.4
83.56094	2.7
85.06535	8.0
85.10181	3.3
89.06028	5.1
91.05482	50.3
93.06494	5.0
93.07050	82.5
95.04381	3.2
95.04975	62.1
95.08612	68.9
96.63137	2.7
97.06551	14.2
97.10229	3.1
98.21628	6.1
98.98464	21.6
103.05457	3.0
105.07039	99.1
107.07876	5.0
107.08602	63.0
109.06539	20.6
109.10161	30.1
111.95103	3.0
115.05430	7.3
117.07038	22.8
119.04886	4.6
119.08588	100.0
121.06484	28.8
121.10163	38.6
123.08061	8.8
123.11694	12.7
128.06209	11.5
129.07042	18.0
130.07768	8.1
131.08582	46.2
133.10141	58.5
135.08073	7.8
135.11682	25.5
137.09602	5.5
141.06998	7.1
142.07777	27.1
143.08569	36.5
144.09329	9.9
145.06419	4.0
145.09059	4.6
145.10133	65.2
147.08102	6.2
147.11697	27.7
149.09618	6.6
154.07713	4.5
155.01042	42.2
155.08594	13.5
156.09341	11.4
157.10143	59.0
158.10892	4.9
159.08034	6.3
159.11703	51.5
161.09633	22.1
161.13264	10.1
163.11179	6.6
165.07040	3.5
167.08572	6.3
168.09290	5.6
169.10146	23.7
170.10890	4.3
171.11682	24.5
172.12524	2.5
173.09587	3.7
173.13266	30.3
174.36819	2.7
175.11172	14.5
175.14888	22.2
177.12790	3.0
179.08548	6.3
181.10091	9.7
182.10889	4.9
183.11682	22.4
184.12511	3.3
185.13246	14.1
187.11191	12.8
187.14827	12.9
194.10861	4.7
195.11829	8.9
196.12447	7.8
197.13313	16.9
199.14839	6.6
201.16362	13.1
207.11668	7.2
208.12549	2.8
209.13310	15.5
211.14729	7.6
213.16415	5.8
215.14224	3.4
221.13295	6.9
223.14803	8.3
224.15697	2.8
225.12846	3.3
225.16394	5.6
227.14265	3.9
229.22493	3.5
235.14890	5.6
237.16209	5.1
239.23660	4.8
241.19336	3.0
247.14886	3.2
253.15874	4.8
253.19527	3.9
265.19510	3.6
361.27332	9.5
375.26910	6.8
376.26099	5.0
393.27637	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.1
57.03438	12.3
67.05494	41.8
69.07058	18.0
71.04999	22.1
71.52856	13.4
75.32922	11.9
79.05497	33.9
81.07055	100.0
83.08603	12.7
85.02917	17.8
85.06554	16.6
86.09698	50.3
91.05490	17.7
93.07034	49.5
95.04986	14.1
95.08601	86.2
97.06541	14.2
105.07034	23.2
107.08579	41.3
107.97673	12.0
109.10163	48.4
111.08072	21.8
111.11720	11.1
117.57536	10.3
119.08576	21.6
119.09894	9.9
120.08109	42.7
121.10138	38.7
123.11706	46.7
131.08519	14.1
133.10152	19.5
134.58081	10.5
135.11719	25.4
136.12009	17.4
137.09613	12.1
137.13290	19.9
139.11153	14.1
144.77766	11.2
149.13272	27.9
151.11205	14.1
165.09122	31.7
169.12228	14.0
177.16328	11.3
183.13777	13.2
185.11708	19.1
196.14133	17.4
201.11270	20.2
214.15179	16.3
234.16710	21.5
293.24689	16.3
303.23193	18.7
316.88324	10.0
321.24332	31.5
339.25558	15.7
347.04510	18.8
370.05856	14.8
386.86227	10.7
393.19107	32.3
393.23663	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	13.7
55.05516	23.3
57.07068	6.6
67.05519	21.3
69.03437	10.9
69.07074	50.7
69.23985	11.2
69.24404	21.5
71.05009	5.3
79.05498	13.9
80.17780	3.3
81.07069	59.9
83.04983	8.2
83.08618	6.3
84.21081	3.2
85.02939	8.8
85.06557	36.3
91.05507	8.3
93.07057	34.4
95.05002	6.2
95.08610	40.3
97.02930	4.5
97.06559	17.3
97.10184	26.9
99.08103	13.0
101.06029	10.3
105.07024	19.6
107.08611	32.0
109.06527	6.0
109.10170	28.1
111.08092	100.0
111.11736	10.4
116.36449	3.7
118.88355	3.4
119.08609	16.3
120.07995	3.2
121.10143	33.2
123.08100	3.9
123.11691	20.5
125.09665	4.0
126.99123	3.4
131.08563	6.4
133.10135	8.7
133.31149	3.4
135.11703	24.5
137.13272	12.3
139.11165	26.1
145.10146	6.6
147.11710	17.4
151.11194	8.5
153.12787	14.0
157.12239	16.1
159.11766	6.4
161.13306	8.2
163.03877	5.4
163.11189	4.9
165.12814	22.6
171.13803	8.8
175.14844	3.6
177.12694	4.6
177.16446	5.2
181.12288	5.2
195.17476	7.5
223.16928	9.5
253.18015	13.4
257.22754	4.0
275.23657	12.4
293.24780	8.1
303.23190	35.8
321.24210	86.4
339.25323	15.2
393.18866	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	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77715	1.6
55.05515	11.0
57.03428	2.7
61.02909	3.3
67.05508	12.2
69.03426	3.6
69.07073	8.1
70.78404	2.9
70.78745	1.9
71.05012	2.7
79.05505	6.9
81.03407	1.3
81.07057	37.1
83.04985	3.1
83.08614	10.6
85.02916	19.7
85.06548	5.7
87.04461	2.0
91.05499	9.9
93.07056	13.0
95.08611	53.9
97.02893	5.7
97.06531	9.4
97.10164	6.9
99.08104	9.7
101.06007	2.1
105.07039	16.1
107.08611	7.8
109.02900	1.9
109.10173	3.8
111.08089	1.9
113.09661	4.0
119.08587	23.3
121.10162	9.4
123.08073	4.1
127.03937	2.3
127.07579	1.8
133.10144	17.4
135.11707	11.6
137.13283	9.3
145.04974	3.6
161.13269	72.8
161.14633	3.5
179.14319	100.0
180.14732	1.8
197.15385	47.5
215.16458	10.2
216.61179	1.4
250.73328	1.5
333.69736	1.7
358.19128	1.4
367.34845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.0
57.07085	19.3
67.05214	2.9
67.05511	23.9
67.47921	2.4
69.07076	27.1
69.26262	15.6
69.26674	6.2
69.41682	2.5
71.08646	16.5
72.80543	2.4
79.05503	12.9
81.07057	66.2
83.08617	11.1
85.10195	13.8
89.06033	5.1
91.05486	21.0
93.07031	18.5
95.08609	38.8
97.10181	12.9
99.44159	2.2
105.07034	32.1
107.08594	19.3
109.10156	18.7
111.11720	6.0
117.07030	14.8
119.08598	12.2
121.10173	7.5
123.11699	9.9
129.07030	4.7
130.07799	4.4
131.08568	20.7
133.10138	37.2
135.11708	6.2
137.13269	2.6
143.08578	6.1
145.10130	62.8
147.11693	20.2
149.13281	5.1
151.14911	2.8
157.10135	7.8
159.11687	38.5
161.13281	9.9
163.14868	4.3
171.11674	4.5
173.13237	12.5
185.13264	5.2
187.14812	5.0
195.12346	2.9
199.14871	8.5
201.16447	4.9
213.16418	6.5
241.19537	6.1
255.21140	6.8
275.27368	3.2
395.36761	100.0
401.56836	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	397.113
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	0.6
70.10091	0.8
84.08154	0.4
85.02890	0.5
86.09702	0.3
93.88483	0.3
96.72389	0.3
97.02934	0.6
99.79930	0.3
104.32112	0.3
105.07094	0.3
110.42520	0.3
145.02882	0.5
147.04311	0.4
161.06012	0.4
163.03844	0.9
170.44611	0.3
189.05473	85.6
190.05937	1.0
200.96130	0.3
217.04967	100.0
218.05267	0.9
234.96948	0.8
235.06021	43.4
252.97931	1.3
298.69098	0.3
312.97873	0.4
379.01141	1.0
397.02039	0.8
397.11288	1.6
408.27670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48574	0.2
53.87610	0.2
58.56304	0.2
68.99804	0.2
69.03419	0.2
70.06583	0.6
72.08180	0.4
84.04488	0.3
84.08140	0.4
85.02894	0.6
86.09703	0.5
107.04939	0.3
107.08560	0.3
110.07176	0.2
119.71762	0.2
120.08080	0.6
121.06474	0.4
123.37000	0.2
125.05968	0.4
127.03876	0.4
129.10251	0.3
135.04405	0.2
135.08072	1.3
139.03995	0.2
145.06488	0.3
151.03912	5.7
161.05966	2.5
163.03951	0.3
163.07506	0.4
176.04697	0.3
182.83490	0.2
189.05478	16.3
190.06248	4.7
191.07028	4.2
193.04993	3.0
217.04976	21.7
218.05193	0.4
235.06020	100.0
236.06342	1.1
237.12534	0.2
240.06609	0.2
252.97954	0.5
312.97931	0.3
315.64529	0.2
357.98306	0.2
379.01190	0.2
397.02289	0.2
397.11325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30560	1.1
69.70065	4.4
69.70480	2.2
70.06586	2.3
79.17882	1.3
84.08142	1.3
86.09711	2.8
100.07595	2.0
110.07181	1.4
132.95851	2.3
136.06192	100.0
141.84946	1.1
152.04611	1.5
158.97339	1.4
186.96953	1.6
189.05501	2.1
198.96864	2.5
217.04889	2.2
234.99043	3.5
235.06087	2.8
252.97826	1.4
268.10416	34.8
268.13290	2.1
277.00064	3.8
307.04684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	100.0
57.03426	3.2
57.07064	5.3
61.56540	3.4
67.05514	54.2
69.07078	19.4
71.04984	2.9
71.08634	3.5
72.45552	2.7
79.05502	20.2
81.07065	62.5
83.08164	4.4
83.08630	89.0
85.06564	3.9
91.05494	9.4
93.07034	17.6
95.08614	64.3
97.06518	6.3
97.10149	8.3
98.21568	5.6
105.07017	8.9
107.08593	15.4
109.10168	41.9
111.11758	4.3
119.08561	13.2
121.10170	17.3
123.11689	19.2
131.08585	8.3
133.10139	12.7
135.11722	10.7
137.13281	9.1
139.11160	3.4
145.10130	4.1
147.11703	8.3
149.13258	4.4
159.11702	5.7
161.13251	7.2
165.12743	5.2
173.11781	5.2
173.13319	4.0
178.79510	2.9
179.14330	6.7
181.12183	4.3
186.43141	3.1
195.13940	3.4
243.21098	10.9
249.28064	3.3
261.22214	21.3
268.55780	3.1
279.23206	76.6
283.65747	2.8
297.24252	22.3
411.08792	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	397.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	100.0
57.03426	3.2
57.07064	5.3
61.56540	3.4
67.05514	54.2
69.07078	19.4
71.04984	2.9
71.08634	3.5
72.45552	2.7
79.05502	20.2
81.07065	62.5
83.08164	4.4
83.08630	89.0
85.06564	3.9
91.05494	9.4
93.07034	17.6
95.08614	64.3
97.06518	6.3
97.10149	8.3
98.21568	5.6
105.07017	8.9
107.08593	15.4
109.10168	41.9
111.11758	4.3
119.08561	13.2
121.10170	17.3
123.11689	19.2
131.08585	8.3
133.10139	12.7
135.11722	10.7
137.13281	9.1
139.11160	3.4
145.10130	4.1
147.11703	8.3
149.13258	4.4
159.11702	5.7
161.13251	7.2
165.12743	5.2
173.11781	5.2
173.13319	4.0
178.79510	2.9
179.14330	6.7
181.12183	4.3
186.43141	3.1
195.13940	3.4
243.21098	10.9
249.28064	3.3
261.22214	21.3
268.55780	3.1
279.23206	76.6
283.65747	2.8
297.24252	22.3
411.08792	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	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83319	2.2
53.91417	2.0
55.05518	12.7
57.02339	2.0
57.07080	16.0
58.24036	2.4
62.65754	2.0
67.05517	19.0
69.07078	22.9
71.08640	12.9
71.52026	2.2
79.05500	12.8
81.06597	3.2
81.07067	47.0
83.08636	10.7
85.10181	9.1
91.05473	15.5
91.58986	2.0
93.07058	17.9
95.08060	3.2
95.08613	39.1
97.10159	10.8
105.07042	26.8
107.08597	19.4
109.10168	38.4
111.11724	6.4
119.08599	21.2
121.06509	2.0
121.10162	16.9
123.11718	14.5
125.13208	3.5
131.08580	4.3
132.43062	2.5
133.10139	20.1
135.11702	31.7
137.13272	4.7
139.80655	2.0
145.10143	5.8
147.11699	51.9
149.13254	17.3
151.14847	4.4
159.11679	2.7
159.35947	2.0
161.13261	39.4
163.14819	5.8
165.95586	1.9
173.13165	2.3
175.14815	15.2
187.14903	3.5
188.81720	2.0
189.16429	8.4
201.16411	5.3
203.17973	7.8
215.18016	9.8
217.19675	3.3
221.22621	4.1
229.19569	6.4
243.21187	8.6
257.22748	6.3
261.25745	3.5
267.09171	2.5
287.27484	3.9
299.27374	2.2
315.30469	4.0
395.90942	2.2
397.38321	100.0
399.39474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1603
Annotation	Corynolamine
Peak:m/z	Relative Intensity
55.05521	0.4
56.05044	0.4
59.46472	0.4
67.14333	0.3
68.05043	0.3
70.06213	0.4
70.06599	5.8
70.10870	1.4
72.08147	0.3
75.70064	0.3
79.05488	0.7
81.07069	1.8
84.08141	1.1
85.02893	0.4
86.09696	0.9
96.08153	1.6
97.06503	0.6
98.09703	100.0
98.20806	0.3
99.10033	0.5
109.06539	0.9
110.09693	3.2
120.08112	0.5
125.06010	0.9
132.08061	0.3
138.09171	0.4
140.10748	0.6
158.84912	0.3
166.08665	8.6
189.05484	19.3
215.07028	0.9
217.04979	17.9
217.12152	0.5
218.12642	0.6
229.06483	0.7
233.08231	0.6
235.13515	0.4
236.13695	1.2
241.05046	1.3
243.02939	0.7
259.06183	0.6
279.10266	0.4
283.06061	1.1
288.40900	0.4
295.05960	0.9
296.06714	0.9
297.07672	0.9
301.07126	0.9
309.07581	0.5
319.09717	0.5
321.11227	0.9
323.09055	0.7
337.10822	0.7
339.12286	0.8
342.20703	0.3
349.10501	0.5
362.13910	0.7
380.14957	21.7
381.15149	0.7
398.16019	29.9
399.15970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05500	2.2
57.03436	22.0
59.04980	5.3
60.04527	2.8
61.02909	3.4
66.38692	1.9
69.03432	69.4
69.07078	20.3
69.41533	6.3
69.41942	9.4
70.06592	13.3
72.08141	5.6
73.02893	5.2
75.04461	2.6
79.05510	2.3
81.03391	5.2
81.07072	5.5
83.08624	3.6
84.08134	5.6
85.02910	73.1
85.06552	2.7
85.22249	1.9
86.09729	5.3
87.04470	48.4
91.03938	3.6
91.05444	4.1
93.07037	2.3
97.02297	3.9
97.02898	61.0
99.04430	3.4
101.06631	2.1
103.03928	2.5
109.02944	3.1
110.07153	4.0
111.08089	14.2
115.03934	82.3
119.08577	3.6
120.08075	3.0
123.04420	2.6
123.08056	2.7
127.03934	11.9
133.04974	100.0
133.05995	4.9
134.18974	2.1
136.06200	2.8
137.09601	2.8
139.03870	2.4
145.04979	29.3
147.08034	2.8
150.07625	12.7
153.09087	6.2
163.06023	18.6
165.09126	8.3
167.07001	3.0
181.08881	2.1
183.10182	7.2
189.11186	2.5
192.07375	3.1
195.10225	4.1
201.11234	7.1
213.11198	4.3
215.02100	2.1
219.12427	3.9
223.06114	2.7
236.09349	7.7
241.07083	4.0
259.08173	6.1
277.09100	4.3
295.10342	7.5
310.02844	2.4
398.13840	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	398.2693
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
55.05523	1.0
57.07064	0.9
62.96702	0.4
67.05507	2.5
68.05024	2.6
69.03391	0.6
69.07053	2.2
69.81116	2.7
70.06596	14.1
70.77283	0.5
77.67117	0.5
79.05491	4.5
80.05016	0.8
81.07062	4.9
83.08601	1.0
84.08144	6.1
86.09655	0.5
91.05480	5.3
93.07050	7.8
94.06561	1.8
95.04965	1.2
95.08611	3.5
96.08135	2.8
98.06048	0.9
98.09693	0.6
98.21514	0.7
100.07616	4.9
103.05451	1.1
104.76650	0.5
105.07040	9.4
106.06539	0.6
107.08610	5.5
107.42681	0.5
108.08119	1.3
109.10149	1.6
114.05535	4.2
115.05464	0.8
116.06335	0.8
116.07090	6.3
117.07034	2.9
119.08587	12.3
120.08107	3.3
121.10154	3.5
122.09647	2.5
123.11771	0.5
125.25362	0.5
128.06218	0.8
128.07068	5.2
129.07007	1.7
130.07785	0.8
131.08563	6.4
132.08054	0.8
133.09018	0.8
133.10121	6.2
134.09607	1.3
135.08069	1.5
135.11682	1.1
136.11205	1.5
140.07100	0.6
142.07765	1.6
143.08536	3.9
144.09383	0.7
145.10115	6.4
146.09685	1.2
147.10654	0.5
147.11708	2.1
148.11218	6.2
149.09621	0.7
149.12083	0.8
149.13239	0.7
150.12804	0.5
151.06261	1.4
154.08656	1.4
155.08577	1.0
156.09370	1.3
157.07637	0.5
157.10159	4.2
158.09714	0.7
158.10951	0.7
159.11705	3.0
160.11209	1.2
161.09596	0.8
161.13249	1.1
162.02226	0.6
162.12822	1.0
164.07144	1.0
166.08679	1.2
168.08955	0.8
168.10248	16.1
169.10141	1.9
171.11737	2.4
173.13257	4.2
174.12839	0.5
175.14813	2.2
178.08640	4.5
179.08505	0.8
181.10228	1.1
183.11714	3.3
185.13310	1.4
186.12735	0.6
187.14795	1.5
188.14566	0.6
192.10164	1.7
194.11838	9.5
195.11705	1.0
196.12524	0.7
197.13281	1.7
199.14874	1.6
200.14308	0.5
203.14421	0.6
206.11719	0.8
208.06107	1.5
209.13348	2.9
211.14926	0.7
223.14812	1.4
230.11763	0.5
232.13348	0.8
234.15059	1.5
235.09766	1.1
235.14960	0.8
236.10089	2.8
253.04929	0.9
260.16461	2.6
264.07791	0.7
265.04883	0.6
265.19516	1.2
279.06696	0.6
279.10181	1.6
281.04416	5.3
283.20657	0.6
289.08545	1.4
292.07410	0.7
295.09659	0.7
305.08118	1.7
306.20645	3.2
307.09647	34.5
308.10147	1.0
309.07590	2.3
317.08133	1.4
319.09830	1.2
335.09241	1.5
348.08041	1.1
348.12320	19.7
366.08945	0.6
366.13406	8.1
380.25848	4.8
398.16031	37.3
398.26910	100.0
399.10971	0.7
399.16220	1.1
399.27231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2695
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.54255	1.6
55.05512	3.3
67.05495	5.9
68.05033	6.3
69.03440	2.6
69.07063	2.4
69.73716	8.7
70.06252	2.7
70.06599	28.5
74.41007	1.6
75.08983	1.6
79.05494	5.7
81.07063	9.9
83.08651	1.7
84.08154	2.2
91.05476	9.3
93.07053	7.3
95.04977	18.2
95.08646	3.1
96.08112	2.4
98.21413	3.0
98.72871	1.6
100.07626	5.9
105.07038	26.6
107.08602	5.8
108.08125	2.9
108.99181	1.7
109.10160	3.6
114.05531	7.4
116.07114	8.8
117.07037	10.1
118.30457	1.8
119.08595	42.3
120.08148	3.8
121.10156	5.2
122.09676	7.0
128.06227	3.4
128.07063	8.4
129.06978	4.2
130.07800	5.3
131.08566	9.1
131.15141	1.6
133.10149	11.5
136.11227	2.9
139.03969	2.1
143.08545	8.0
144.09323	4.1
145.10130	34.6
147.11687	8.4
148.11249	2.2
155.08693	2.2
157.10147	3.3
159.11655	2.0
161.09642	2.0
161.13272	2.1
164.87479	1.7
166.08560	1.8
168.10223	49.0
171.11652	3.0
173.13268	5.8
175.14867	2.7
178.08688	10.3
181.10033	1.8
183.11746	2.2
185.13316	2.6
187.14880	2.3
192.10216	1.7
194.11800	6.9
201.99207	1.7
209.13293	2.3
223.14864	2.0
244.13443	3.4
258.14890	3.0
259.15729	2.0
260.16461	32.0
265.19519	2.4
288.19513	2.7
307.09647	11.6
348.12445	6.1
380.25916	59.1
398.16119	14.2
398.26913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.4
56.05035	18.3
61.01149	7.6
69.03420	9.8
70.06588	9.9
71.08633	4.6
71.51319	3.6
73.07063	2.8
74.02459	4.2
74.06073	7.2
78.60307	3.0
81.03432	3.0
84.04507	4.6
85.02905	12.4
85.10137	2.5
97.02897	77.1
97.03526	4.3
98.97582	2.3
102.05536	30.0
119.01941	5.9
121.06482	5.1
123.04420	4.0
127.03876	2.9
129.05537	3.8
131.01924	2.8
136.06195	96.3
137.02396	3.1
143.01941	4.4
145.03372	4.3
147.03078	3.3
155.01918	2.7
156.97606	2.7
163.04088	4.4
173.02971	3.4
195.01398	3.8
198.98619	6.9
228.05727	9.1
237.01761	2.5
237.08658	4.5
240.99783	2.5
245.05113	2.7
250.09367	100.0
255.03551	3.5
264.08966	5.0
279.00421	3.7
279.03564	2.7
283.00705	3.7
291.03394	3.6
298.09708	18.8
339.05679	19.0
357.06723	17.1
383.05972	2.6
399.07013	45.6
399.12820	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	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
55.01860	6.3
55.05513	48.1
57.07065	3.7
67.05513	23.6
69.03423	10.5
69.07059	11.6
69.80987	6.4
69.81389	10.1
70.06595	4.8
71.04979	11.0
71.08624	9.3
72.93450	3.5
79.05508	20.8
81.07066	24.4
83.04975	22.0
83.08159	4.6
83.08622	57.6
85.02905	4.9
87.04456	4.9
88.07619	12.9
91.05492	22.7
93.07049	27.1
95.04977	47.1
95.08624	24.9
97.02907	4.8
97.06538	24.6
98.21631	3.6
102.09168	6.6
105.07036	34.5
107.08598	49.9
109.06520	6.2
109.10144	13.4
109.47019	4.1
111.04466	4.0
111.08051	4.7
113.09663	19.1
117.06993	9.4
119.08556	22.6
121.06511	7.8
121.10123	8.5
123.08072	7.2
125.09646	25.1
129.05429	6.8
129.07001	13.6
131.08591	24.9
132.09354	3.8
133.10132	17.3
135.08026	11.5
136.06146	4.3
137.09534	4.0
139.11194	10.4
141.07004	4.5
142.07790	10.3
143.08600	24.2
145.10127	18.4
147.08043	12.4
147.11717	4.7
149.09598	7.2
151.60590	3.8
153.07106	4.3
153.12715	6.8
155.10629	19.8
157.10136	28.7
159.08101	20.9
159.11656	8.7
161.09552	6.9
165.06998	5.9
167.08574	5.7
169.10153	9.1
171.07997	5.1
171.11681	17.2
172.08830	6.8
173.09654	20.2
179.08623	6.5
180.09396	4.8
181.10080	8.6
181.12241	9.9
183.11656	8.6
185.13226	11.7
187.11192	7.2
194.10835	6.3
195.11720	18.3
195.13686	6.4
196.12543	5.5
197.09625	4.1
197.13272	7.7
198.10454	4.6
199.14839	5.2
205.72858	4.4
209.13298	19.1
211.14819	11.5
213.12737	26.6
221.13319	9.5
223.14857	5.4
227.14305	10.1
233.15292	4.7
239.14282	8.7
256.56525	3.9
272.17984	4.4
275.16464	6.4
279.17450	6.4
281.19028	7.8
283.16855	4.2
297.18466	9.5
298.19266	12.4
317.84247	3.7
323.20193	6.5
337.32813	8.0
363.23038	5.2
381.19678	7.6
381.24246	100.0
381.31631	4.8
399.36661	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	400.1393
Annotation	Cathaformine
Peak:m/z	Relative Intensity
53.99180	0.5
55.05521	0.7
67.05508	1.3
69.03435	1.7
70.06596	5.4
70.10707	1.1
70.11096	1.1
72.08167	1.3
76.02258	0.7
81.03441	1.2
81.07081	1.1
82.06612	0.8
84.04559	0.6
84.08156	1.7
85.02912	2.0
86.09698	1.1
91.05496	0.8
95.08645	0.8
97.02924	1.2
105.07027	0.9
107.08614	1.0
109.10136	0.8
110.07176	0.6
111.06139	0.6
116.08696	0.6
120.08208	0.6
120.62167	0.6
120.91528	0.6
121.10129	0.7
151.03899	0.7
160.25203	0.6
163.03857	0.7
164.04286	0.7
203.03412	2.6
219.02917	2.7
219.17471	1.9
220.03242	4.6
220.17761	3.4
221.04422	4.7
227.03418	0.6
237.03925	5.4
238.04279	9.4
238.18874	0.8
239.04765	0.6
239.07048	0.8
241.04868	0.8
247.07571	1.4
249.09111	1.0
253.05016	0.8
255.03122	0.8
255.06279	0.7
259.07642	1.2
265.08588	1.1
267.06516	1.0
267.10202	1.1
269.04562	2.9
269.07700	0.6
271.05969	0.7
275.06934	0.7
276.10458	1.3
276.20609	0.6
277.08551	3.4
278.08163	1.3
279.06570	1.0
280.07260	1.3
281.04514	2.4
281.07843	0.9
282.05182	0.8
285.03937	4.0
285.10382	0.8
293.08173	2.0
294.05319	1.2
295.06058	2.1
295.09686	6.0
297.03937	39.6
299.05490	5.3
304.09677	0.8
305.04971	0.7
305.08163	2.1
307.05704	0.8
308.06775	1.4
309.03909	0.8
311.05441	0.9
321.07535	10.0
322.07553	1.7
323.05768	1.2
323.09109	29.2
325.07080	9.8
332.09192	20.1
333.07529	6.0
339.08633	2.8
350.10251	100.0
351.08557	19.5
364.11752	1.6
364.15475	2.3
368.11304	67.7
369.11728	1.3
382.16574	3.1
383.11429	3.0
400.13904	84.9
401.14215	2.2
413.34683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08611	0.9
55.05503	3.3
61.02926	2.3
69.03419	5.0
70.06586	4.9
70.57077	1.1
71.04977	1.3
71.51862	1.5
72.08150	2.6
73.06571	2.4
74.09714	1.2
81.03421	3.0
84.08112	1.4
85.02912	11.4
86.09699	3.2
87.04446	1.2
89.69153	1.0
91.03993	1.2
91.05439	1.3
95.16759	1.0
97.02907	6.2
97.13615	1.1
103.05418	2.6
105.07036	6.6
107.04959	2.5
109.02851	1.0
109.04088	1.1
110.07146	1.2
116.07059	1.2
117.07040	3.6
120.08113	32.0
126.03754	2.2
127.03905	2.4
129.06892	1.3
131.05005	1.4
136.06172	1.6
139.03845	1.4
157.09967	1.3
163.03954	1.3
166.08690	1.7
174.09253	1.1
174.12784	40.7
192.13841	46.0
220.13362	12.5
238.14392	100.0
239.14607	2.7
251.09525	1.4
400.15625	23.3
400.19855	8.8
401.24908	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	401.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37050	0.7
53.03953	1.5
55.01861	1.2
57.03423	2.2
61.02920	3.4
63.48422	0.7
67.01859	1.1
67.05504	1.4
69.03430	10.0
69.95805	0.7
71.04981	1.0
71.52745	1.4
72.20070	0.7
73.02894	2.2
76.57266	0.8
79.05479	0.9
81.03427	4.2
81.07058	1.0
83.01324	2.6
85.02908	25.6
87.04478	1.2
91.03935	1.2
93.07034	0.9
95.04955	2.4
97.02892	8.0
99.04442	1.4
102.67215	0.7
105.07019	1.2
109.02884	3.5
113.09828	0.7
122.29383	0.8
123.04459	5.3
127.03906	5.1
133.02853	0.8
145.04955	5.7
151.03894	8.8
169.04985	14.6
179.03415	21.3
197.04468	100.0
201.16267	0.8
239.09158	74.9
240.09425	1.0
303.17416	0.7
401.32602	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	401.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19465	0.7
51.55998	0.5
53.03937	1.3
55.01865	0.7
55.05502	1.0
55.08927	0.6
57.03416	2.6
61.02934	4.7
67.01873	0.7
67.05484	1.7
67.40247	0.6
69.03432	10.2
69.07056	0.6
69.38680	4.4
71.04970	1.0
73.02912	1.3
81.03420	4.8
81.07025	0.7
83.01344	1.4
85.02910	27.2
87.04463	0.9
91.03942	1.8
93.06999	0.6
94.72910	0.5
95.04970	1.3
95.08623	0.7
97.02900	7.1
99.04434	1.3
105.03392	0.7
109.02892	3.2
109.10154	0.9
123.04433	5.0
127.03938	5.6
133.02859	1.0
145.04924	4.7
151.03914	8.3
161.02327	1.1
169.04974	14.5
179.03412	21.2
186.45805	0.6
197.04462	100.0
198.04726	1.2
205.29425	0.7
221.07974	0.7
239.09154	72.4
240.09395	0.9
265.72882	0.7
309.38940	0.7
365.48001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90757	0.5
53.03938	2.2
54.13582	0.5
55.01868	1.4
57.03429	2.2
60.10482	0.5
60.90799	0.5
61.02935	3.8
61.04719	0.4
61.86772	0.5
67.01862	1.2
67.05501	1.3
69.03432	8.8
71.05003	1.0
73.02912	1.9
81.03418	3.8
81.07050	0.6
83.01344	2.1
85.02913	22.8
85.06524	0.4
87.04466	1.8
91.03934	1.5
91.05518	0.6
92.78362	0.5
95.04961	2.2
97.02903	9.5
98.21524	1.2
99.04464	1.2
105.07025	0.7
109.02908	3.1
118.79260	0.4
119.08517	0.7
121.10027	0.7
123.04442	4.9
123.08232	0.5
127.03928	5.4
133.02853	1.2
135.14996	0.5
145.04967	4.0
151.03925	8.5
161.02228	0.6
166.48157	0.6
169.04979	15.1
179.03419	21.7
197.04468	100.0
198.04782	1.1
221.08138	0.8
239.09158	69.7
240.09363	0.7
297.99469	0.6
309.29846	0.5
351.41745	0.6
355.17767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.3
66.03925	0.2
68.96119	0.2
70.06594	0.6
71.16595	0.2
71.16942	0.6
76.03991	0.4
80.05019	2.1
83.06094	0.5
84.04514	7.3
85.04026	1.4
86.09695	0.5
87.76352	0.2
90.68810	0.3
92.01731	0.4
93.05796	9.3
94.06575	3.4
96.08147	0.7
98.00647	1.8
98.64969	0.3
99.02687	0.8
99.05589	0.6
108.85551	0.3
110.06078	0.3
113.03493	0.4
117.31092	0.2
124.02181	0.6
126.03751	100.0
127.04119	0.5
128.05301	0.4
129.06613	0.8
130.05016	3.5
131.04553	0.9
136.09975	1.2
147.07675	0.6
152.05318	6.1
160.97368	0.3
169.07962	3.9
170.33444	0.3
177.03313	3.1
179.06430	0.8
180.04793	5.7
185.03838	0.8
197.07442	3.8
207.09631	0.3
231.04407	2.3
235.09003	1.8
255.08025	3.9
272.10626	5.9
326.11813	2.1
401.14902	1.0
401.27292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05654	7.5
60.64357	0.9
69.03438	2.0
70.06598	33.1
71.10990	1.0
71.51659	0.9
71.52054	1.2
72.08153	3.8
74.06103	1.2
84.04499	1.3
85.02908	2.4
86.06072	5.4
86.09713	84.8
93.05789	1.1
97.02895	2.3
98.97544	1.0
112.08730	5.2
114.05543	1.9
114.10349	1.5
115.08708	7.0
116.07092	11.7
126.03753	8.6
128.11891	1.3
130.09778	3.6
133.09766	1.1
139.03908	1.9
139.44681	1.0
152.05458	1.0
156.11334	10.8
157.10843	1.0
158.09268	11.7
163.03963	3.0
175.11919	20.5
177.05399	1.1
203.03459	1.1
221.04419	1.4
227.13937	2.0
239.05482	1.1
254.14871	1.0
271.17654	6.5
291.09924	1.3
364.31705	1.0
401.16095	7.9
401.25085	100.0
402.15680	1.6
402.25226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	2.9
55.05508	2.0
56.05022	4.7
58.99591	9.5
59.04997	3.9
65.03937	4.1
66.18348	1.6
67.05482	3.3
68.99783	5.7
69.03415	1.9
69.07064	2.3
70.06583	3.2
71.52602	2.2
72.08138	4.2
73.01137	1.5
79.05502	6.0
81.03407	2.4
81.07072	14.4
82.20789	1.4
84.04508	35.7
84.08145	65.0
85.02908	3.0
85.04048	2.4
86.00644	2.0
86.06026	2.0
86.09701	9.4
86.99048	9.2
88.02222	3.7
89.06021	4.7
91.05466	4.3
93.07051	3.6
94.06566	1.8
95.04974	18.8
96.08139	12.6
97.01132	2.8
97.02897	2.0
98.00646	3.0
99.02678	12.9
101.07181	2.0
103.07555	2.8
105.03408	1.4
105.07094	2.3
107.04916	2.8
107.08614	1.9
108.08134	4.8
109.06516	9.1
112.03963	1.6
112.07599	4.8
114.03783	2.2
114.05549	3.0
116.01684	57.3
119.04903	2.0
119.08545	1.8
120.08148	2.4
121.06489	5.5
123.04430	25.7
123.08036	2.3
124.07575	3.2
125.02374	2.8
126.09207	3.7
127.02148	55.4
127.03870	3.5
129.10231	2.7
130.05017	13.1
133.06485	1.8
135.04379	1.8
136.07576	6.7
137.08322	3.4
140.01677	2.3
142.05043	3.3
144.01154	15.0
145.29115	1.6
147.04399	6.6
147.07959	1.8
149.05995	15.0
151.03911	58.9
152.05283	9.3
152.07080	14.3
153.03682	4.2
159.04428	2.2
161.05988	4.5
162.02209	18.8
163.03899	5.1
163.07553	3.2
165.05515	3.2
165.09058	2.5
166.08621	1.6
167.07056	3.9
168.06563	2.0
168.10185	2.5
170.06355	48.1
170.07932	3.3
173.05978	2.0
175.07516	2.5
177.03308	5.0
177.05487	29.2
179.06969	1.8
180.04814	4.1
181.03218	2.2
187.03976	3.2
187.11191	3.8
189.05478	6.8
191.07008	13.5
192.10210	3.1
193.04974	11.0
193.08604	1.8
194.08156	10.0
198.05852	11.1
199.07310	1.8
201.05464	5.7
202.42801	1.6
205.12294	4.8
207.02956	1.9
210.11189	10.3
212.26549	1.8
217.04950	27.3
218.08209	6.8
219.06548	28.1
221.08142	5.2
223.13324	13.3
227.08492	10.9
231.06532	3.4
232.09671	2.1
234.11287	4.2
236.07355	2.5
236.09445	2.2
250.10742	70.7
251.10812	2.0
255.08032	8.2
256.31177	1.5
259.05975	14.2
262.10754	17.4
273.09048	100.0
275.36371	1.7
278.10257	3.3
285.07748	1.8
301.07031	4.2
309.07562	4.2
311.09167	3.5
327.10303	8.0
366.13400	3.8
384.14465	21.0
402.15512	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1548
Annotation	Noyaine
Peak:m/z	Relative Intensity
52.13552	0.9
54.03458	0.9
68.99785	1.1
70.06598	100.0
71.51992	1.1
72.08150	4.2
78.43814	0.9
79.05514	1.0
84.04498	2.2
84.08154	1.8
85.02913	1.6
86.09691	4.6
91.05517	1.5
105.66905	0.9
107.04967	2.6
121.06511	2.4
126.03724	2.9
127.04044	1.4
129.10303	1.0
131.04907	1.2
135.04407	4.3
136.07562	1.4
139.03909	14.8
148.03914	1.2
149.05998	4.1
161.06035	1.1
163.03935	7.0
165.05482	1.6
167.03362	1.3
175.07529	1.1
176.42958	0.8
177.05489	51.4
181.04999	2.2
190.04979	1.4
196.64503	0.9
217.06822	0.9
222.07712	1.1
222.11259	1.7
222.14993	1.6
234.11197	2.2
240.15913	1.7
241.03450	0.9
250.10771	2.1
304.14008	1.8
304.45694	1.0
345.09692	9.7
375.28635	0.9
402.15518	52.2
403.15414	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	402.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95318	0.2
57.07075	1.1
61.02926	0.4
65.03938	0.7
69.03439	0.5
70.06595	0.3
71.52794	0.4
72.08142	0.3
81.03413	0.3
81.07049	0.4
84.04486	0.4
85.02914	2.0
91.03963	0.3
91.05505	0.4
93.07055	0.4
95.04990	0.3
97.02898	1.0
107.08584	0.3
109.02848	0.3
109.38607	0.3
114.90168	0.3
120.21094	0.3
121.02885	2.1
121.03947	0.3
127.03951	0.6
145.04942	0.3
149.02359	100.0
150.02689	1.0
167.03464	0.9
173.32454	0.3
175.92493	0.3
180.08617	0.4
190.04979	0.4
197.04474	0.7
198.04855	0.9
205.08627	3.7
223.09683	12.9
227.12885	0.4
240.09593	0.6
282.19888	0.3
352.53711	0.3
367.13654	0.3
379.26035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.07080	6.2
58.06606	1.5
63.58126	0.4
69.07085	0.4
70.06596	15.6
71.08633	2.6
72.08145	0.6
74.06112	0.4
84.08135	0.4
85.10180	1.1
86.09739	0.3
88.07634	20.2
102.09184	12.2
103.31326	0.3
115.37183	0.3
128.09494	0.3
132.10240	1.3
146.11740	0.8
150.11266	0.8
296.33273	1.1
314.34268	0.5
322.34714	0.4
338.24948	0.4
340.35748	41.9
341.35965	0.8
384.38412	3.3
402.39426	100.0
403.39896	2.2
416.68787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
53.20224	0.5
55.01884	1.8
56.05045	1.0
57.03443	1.3
57.98800	1.1
58.99588	16.3
67.05511	1.5
69.03426	0.9
69.07072	5.2
69.17840	5.8
76.02232	100.0
76.04003	2.5
79.05492	7.5
80.05012	0.9
84.04507	30.0
86.09702	1.1
86.99048	3.8
88.02228	2.0
91.15759	0.6
97.06535	94.2
98.09738	0.9
98.20676	1.4
98.97506	0.7
102.05510	0.8
112.12106	0.6
114.03804	0.8
116.01682	21.4
119.48869	0.7
129.06660	0.7
130.05002	18.3
141.04852	0.6
142.03210	10.9
144.01151	14.2
162.02206	43.0
170.02692	2.8
172.07927	0.8
179.04860	75.6
187.05324	2.5
205.06403	0.7
207.06534	2.3
215.04970	1.5
216.03168	0.7
225.07521	1.0
226.10736	0.9
233.05917	24.0
245.05910	4.6
290.07971	1.3
291.06409	2.7
308.09113	37.9
335.00790	1.0
404.16089	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54031	1.5
55.05507	4.1
58.21058	1.7
67.05511	2.5
69.03431	4.8
69.86373	3.1
69.86781	6.0
71.04996	6.2
74.07523	1.5
79.05502	3.9
81.03428	3.0
81.07066	4.3
83.04994	4.4
83.08646	3.5
85.02908	13.9
85.73723	1.7
86.80783	1.5
87.04470	4.2
91.05476	6.0
93.07046	4.4
94.99189	1.6
95.04984	7.7
95.08660	4.0
97.02900	2.0
99.04450	9.1
102.19032	1.5
105.07035	5.5
107.08608	33.3
109.02892	1.9
109.06516	4.7
121.10118	7.7
123.08073	100.0
123.11707	7.2
125.06018	4.2
125.09641	23.5
127.03990	2.7
131.08575	4.2
137.09688	1.8
139.11148	4.9
147.04424	1.8
147.08058	2.6
147.11705	4.7
147.86211	1.5
149.02391	1.8
149.09636	37.1
149.10782	3.4
151.07515	6.2
165.12781	5.9
167.10699	17.2
171.11732	2.4
176.14339	3.4
183.13837	3.7
183.29710	1.7
187.65672	1.5
189.12700	8.3
191.10599	2.2
207.13792	15.0
225.14871	81.2
237.14915	2.3
245.29535	1.8
274.21664	2.1
363.61197	1.7
369.19061	2.0
372.12173	1.8
404.24664	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
55.27245	0.9
59.04979	2.6
61.02915	1.0
64.85842	0.8
67.05495	2.4
69.03412	1.7
69.39386	6.7
71.05004	0.8
79.05487	2.7
81.07046	1.7
83.04990	0.9
85.02904	11.2
85.06525	2.0
91.05476	5.9
93.07050	4.1
95.04995	2.0
95.08605	7.7
97.06520	0.9
97.10149	0.9
98.21485	1.8
105.07045	11.3
107.08604	11.1
109.06494	2.6
109.10143	1.6
111.04491	0.8
111.08041	1.2
117.07084	1.5
119.08588	14.3
121.10151	9.5
123.08054	4.8
123.11726	5.7
125.09613	1.8
128.06195	1.8
129.07008	2.6
131.08594	8.3
133.10138	4.2
135.08041	18.6
135.11700	5.2
137.09604	1.6
139.11176	1.0
140.44217	1.0
141.07074	1.0
143.08549	7.9
145.10129	5.4
147.08063	13.3
147.11700	14.7
149.09619	8.7
156.09341	13.7
159.08012	1.1
159.11652	2.8
161.09599	0.9
161.13295	6.6
163.11150	2.7
165.09140	2.4
165.12746	2.4
171.11682	31.2
174.10440	1.0
189.12740	21.0
207.06451	1.8
207.13805	100.0
208.14018	1.1
225.07649	1.0
225.14810	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56047	0.7
55.05512	1.6
59.04990	2.1
67.05500	1.6
68.75253	0.8
69.03439	1.1
69.07069	1.5
70.57073	2.8
71.04973	0.9
73.02895	1.0
74.16533	0.7
79.05506	3.4
81.07053	3.4
83.04976	1.0
84.04523	1.1
85.02911	15.1
86.09716	5.6
87.04427	0.9
91.05483	3.6
93.07050	3.2
95.04967	1.9
95.08600	2.0
97.06559	1.0
104.31828	0.8
105.07035	10.5
107.08588	9.5
109.06516	2.5
109.10180	1.8
117.06963	1.1
119.08581	14.2
121.10133	10.2
123.08060	2.5
123.11718	13.0
125.09667	1.2
128.06192	0.9
129.06987	2.3
130.07745	1.0
131.08562	6.5
133.10143	3.0
135.08060	12.6
135.11699	3.1
137.09644	1.5
143.08586	6.2
145.10120	6.1
147.08044	11.5
147.11691	12.6
149.09625	9.6
156.09361	11.0
159.08014	1.1
159.11710	1.9
159.86270	0.8
161.09663	1.5
161.13277	5.1
163.11093	1.7
165.09122	2.3
165.12715	5.0
171.11691	24.6
182.09410	0.9
189.12752	28.5
189.99045	1.1
207.13806	100.0
208.14197	1.9
246.80707	0.9
413.81021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
63.74641	2.4
67.05493	5.2
69.03420	10.2
70.06598	3.3
71.04982	7.6
71.52185	4.0
72.08179	2.8
79.05479	5.9
81.07064	5.8
83.04984	5.3
83.73679	2.7
84.04518	3.1
84.08129	8.3
85.02896	16.9
85.06538	7.9
86.09706	9.3
91.05479	11.0
93.07052	5.5
95.04971	5.8
95.08597	11.4
97.02879	5.4
99.04473	2.8
105.07030	8.9
107.08595	12.7
109.06528	100.0
109.10164	7.2
110.60216	2.6
111.04469	3.2
111.08040	4.0
119.08617	13.4
121.10137	15.6
123.08067	21.9
123.11724	2.9
125.09619	3.6
129.07001	2.5
131.08598	20.3
133.06488	7.0
133.10054	3.2
137.09631	14.1
140.10567	2.7
147.08060	10.1
147.11699	14.0
149.09627	35.6
151.07547	63.4
154.06906	3.6
156.09338	4.4
161.13214	5.6
163.11163	3.1
167.10695	4.7
171.11678	7.4
186.24263	2.8
189.12756	32.8
191.14209	3.9
207.13824	80.7
225.14879	11.3
228.49858	3.6
257.09598	6.5
282.82806	3.1
370.28433	2.6
426.18555	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01861	1.7
55.83670	1.1
57.03417	1.6
60.21813	1.0
61.02916	3.3
69.03432	13.7
70.49718	1.9
70.50077	2.1
81.03409	2.4
81.07068	1.3
82.51553	1.0
84.74445	1.1
85.02911	13.4
88.27782	1.1
91.05489	6.2
95.04957	2.4
95.08615	1.7
97.02911	6.1
105.07010	3.1
107.08534	2.8
109.02905	1.1
109.06523	20.8
116.06246	1.3
117.07036	1.4
119.08601	10.6
121.10123	3.1
123.08092	6.6
127.03884	3.3
129.06990	2.0
131.08586	21.7
133.06555	4.9
135.08029	1.9
143.09645	1.2
145.04936	2.3
145.10104	1.9
147.08054	22.3
147.11707	1.3
149.09598	3.0
149.60867	1.2
151.07550	100.0
156.09325	3.0
159.11714	1.3
161.09615	2.5
161.13260	1.2
163.11223	6.5
165.12753	1.5
171.11699	8.0
189.12744	39.4
207.13809	79.6
208.07976	1.1
208.14162	1.8
231.13768	4.2
249.14795	1.4
369.19037	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03946	12.5
53.40741	4.8
53.41018	4.3
53.95911	4.1
55.01869	8.3
55.05518	37.2
57.03434	6.9
57.07080	8.3
65.03937	5.6
66.54018	3.8
67.05509	68.6
69.03432	34.1
69.07074	38.2
71.04995	10.1
79.05497	54.4
81.03427	24.4
81.07064	84.1
83.04975	14.2
83.08607	14.4
85.02912	13.5
85.06541	6.5
91.05480	67.4
93.07044	73.7
95.04966	15.3
95.08614	56.5
97.02910	15.3
97.06528	7.5
97.10188	8.6
99.04447	4.9
105.07043	67.7
107.04958	18.6
107.08593	43.6
107.09237	6.5
109.06532	6.2
109.10176	24.4
111.04450	12.8
111.08161	6.0
113.02313	5.1
115.05454	4.8
117.07024	36.5
119.08601	52.2
121.06490	10.3
121.10142	32.7
123.08075	7.6
123.11682	9.4
125.09582	6.1
127.03949	7.4
127.57697	4.1
128.06216	8.7
129.05495	6.6
129.07001	28.9
131.08578	39.4
133.06502	10.3
133.10124	30.3
135.08073	6.4
135.11685	19.3
137.09605	6.3
141.06940	6.9
142.07811	6.1
143.08549	27.6
145.06487	9.3
145.10110	33.5
147.08121	6.4
147.11679	35.5
149.09610	10.5
149.13286	11.6
151.07446	4.8
155.08569	12.3
157.06473	8.8
157.10127	26.3
157.41298	4.4
159.08112	6.6
159.11684	30.1
161.09615	9.3
161.13277	18.3
164.37381	4.2
169.10121	12.3
171.08054	6.0
171.11758	22.3
173.09668	5.1
173.13249	19.3
175.11180	8.8
175.14816	8.3
181.10139	5.3
183.11607	11.4
184.07436	5.4
185.09595	5.6
185.13235	15.6
187.14883	11.3
189.12727	5.3
189.16400	6.1
197.13289	5.6
199.11261	5.5
199.14827	12.5
201.16399	5.4
210.43105	4.0
211.14764	7.0
213.16432	4.4
225.12679	5.5
227.14250	5.4
259.20599	7.5
261.22083	7.1
271.20499	5.5
273.22073	11.8
277.21860	4.4
280.27252	3.9
289.21591	9.6
291.23279	5.3
300.08023	4.3
301.21680	11.9
303.23013	10.3
309.22388	4.8
315.23166	18.7
319.22678	11.5
327.23260	9.2
331.22861	4.5
341.24832	15.6
345.23987	9.2
351.23199	14.9
369.24237	63.5
387.25323	66.6
405.26398	100.0
405.31631	7.0
406.26752	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	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03936	8.4
55.01867	11.6
55.05514	31.9
57.03436	5.2
65.03933	7.7
67.05505	63.6
69.03426	35.4
69.07066	24.2
70.91420	8.8
71.05012	5.2
77.13017	3.7
79.05493	52.3
81.03422	27.2
81.07069	72.8
83.04974	11.3
83.08624	16.3
85.02901	12.3
85.06533	9.5
91.05483	60.1
93.07048	71.9
95.04962	17.4
95.08617	58.3
97.02907	9.2
97.06529	9.7
97.10161	8.8
99.04424	6.9
105.07040	62.6
107.04952	8.5
107.08600	44.2
109.02879	8.2
109.06543	10.3
109.10162	19.7
111.04444	14.6
115.05401	7.1
117.07037	37.3
117.88421	4.0
119.04984	4.5
119.08595	52.7
121.06525	9.7
121.10152	34.7
123.08082	6.9
123.11742	7.0
125.09626	5.2
127.03867	6.2
128.06232	9.3
129.06984	23.5
131.08591	44.3
131.65482	4.3
133.06483	14.3
133.10133	38.9
135.08052	7.8
135.11705	13.4
137.09605	6.0
141.06958	5.8
142.07738	5.2
143.08559	24.9
145.06526	8.0
145.10129	37.3
147.08070	8.9
147.11699	25.0
149.13223	11.7
155.08598	6.4
156.09315	4.2
157.06467	7.4
157.10114	23.5
159.08067	8.4
159.11717	32.2
161.13251	13.7
163.11258	4.2
167.08484	4.1
169.10129	9.6
171.08028	6.8
171.11682	15.5
173.09615	6.6
173.13257	18.2
175.11189	5.5
175.14874	7.0
177.12662	4.7
179.10596	4.1
181.10158	5.3
183.11601	9.3
185.13220	7.9
187.11250	8.0
187.14842	8.4
189.12729	6.9
191.10429	4.9
195.11728	5.4
196.43398	3.6
199.11217	4.4
199.14833	7.4
201.12755	8.2
211.14876	5.6
213.12851	4.4
220.59140	3.8
225.12758	4.0
225.16402	4.1
227.14337	4.0
236.03838	3.6
259.20566	9.2
273.22110	11.2
275.19946	5.8
277.21622	6.4
289.21646	6.0
293.08154	24.9
301.21503	7.3
303.23157	11.2
305.21365	4.8
313.21701	5.4
315.23126	14.3
317.08063	4.6
317.24695	5.1
319.22806	8.4
323.23767	5.0
327.23166	6.4
331.22592	10.2
341.24701	15.3
345.24161	10.7
351.23291	20.2
359.26187	5.3
361.14105	7.0
369.24246	55.4
387.25351	65.1
405.26419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3725
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05505	5.5
57.07082	9.2
66.77206	1.6
67.05489	2.7
69.07085	9.8
71.08635	9.1
71.34077	2.0
81.07049	3.2
83.01344	6.4
83.08621	7.1
85.10155	3.4
85.93256	1.7
87.79461	1.7
93.07043	2.4
95.08604	4.5
97.06535	3.3
97.10159	4.7
107.08607	3.6
109.10178	2.9
111.08079	2.5
123.08070	3.2
125.06008	4.4
125.09614	4.2
127.07516	2.1
139.07518	19.5
151.11237	5.2
153.09125	5.4
167.10672	6.8
169.02591	2.0
181.12312	11.3
195.13799	6.0
209.15427	6.6
214.94960	1.7
223.16928	2.3
252.84570	1.8
405.37262	100.0
406.37827	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05498	0.9
55.07815	0.6
56.05038	3.9
57.03437	3.0
58.99593	5.6
61.26088	0.4
68.05021	1.1
68.26402	0.5
71.15611	0.9
71.15929	0.7
73.01131	0.8
74.00693	0.6
76.01839	0.7
76.02234	10.1
76.03977	1.1
79.05483	1.8
80.05003	0.7
81.07059	10.0
83.06084	0.9
84.04507	14.9
85.01122	1.8
86.00651	2.4
86.99047	3.1
87.02685	2.5
87.54159	0.6
88.02248	1.1
88.89162	0.5
94.06572	0.9
95.08584	1.6
97.01122	0.8
97.06536	1.0
98.09691	7.4
99.05585	0.6
99.08083	2.2
102.05549	2.9
105.07021	0.8
109.22525	0.6
110.09664	1.3
112.03967	2.5
112.27077	0.5
113.04218	4.0
115.05836	1.0
116.01677	11.0
122.09724	1.2
129.06586	1.8
130.05016	4.7
130.06836	2.4
130.08638	1.1
139.05785	1.3
142.03175	1.1
144.01138	5.6
145.06047	1.8
156.08417	13.5
156.10205	7.4
157.06851	5.4
162.02206	14.7
170.02608	0.7
174.09494	12.0
179.04852	8.1
187.05385	0.7
189.03307	0.6
210.11272	2.1
216.06905	3.6
233.05913	1.3
245.05856	0.9
259.11121	100.0
260.09598	2.0
277.12155	0.9
285.12723	1.5
294.68268	0.6
308.09155	1.2
313.12134	4.3
331.13165	6.2
388.15427	1.6
389.13687	0.9
406.16257	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	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01866	1.8
55.05503	2.7
56.05039	6.8
57.03442	6.2
58.99587	10.4
61.01133	1.1
61.41340	0.8
63.69637	0.8
67.05502	1.8
68.05053	1.3
68.88213	0.9
69.03422	1.8
69.07063	2.2
69.95868	0.9
70.06604	4.8
71.04963	2.1
71.52402	1.3
72.08149	2.3
73.01149	1.6
76.02232	26.1
76.03992	2.4
79.05502	4.4
80.05042	1.1
81.07063	18.6
81.16837	0.9
82.06564	0.9
83.04981	1.5
83.06086	1.8
84.04510	32.8
84.08139	3.6
85.01117	2.7
85.02927	4.3
86.00648	4.0
86.09705	6.9
86.99053	5.1
87.02703	4.5
87.89952	0.9
88.02202	2.2
88.45996	1.0
91.05479	2.6
93.07038	4.5
94.06566	1.2
95.04963	2.8
95.08601	7.6
97.01090	1.1
97.02854	1.2
97.06534	1.4
98.06059	1.1
98.09689	11.3
99.04448	1.3
99.08110	5.1
102.05531	3.8
105.07028	4.1
107.08598	2.6
109.06558	1.0
109.10181	2.5
110.09685	2.1
112.03954	3.5
113.04227	6.9
114.05530	1.2
115.05766	1.1
116.01687	23.1
118.06553	7.4
119.08595	1.5
120.08138	1.4
121.10123	2.3
122.02718	1.1
122.09654	1.2
125.09629	1.2
125.14064	0.9
129.06592	3.2
130.05016	10.6
130.06831	3.7
130.08630	1.1
131.08557	2.1
133.10133	19.3
135.08047	1.2
135.11697	1.9
137.09579	1.3
139.05716	1.0
142.03210	3.7
142.04999	1.7
143.02753	1.4
144.01163	8.5
145.10129	2.2
147.11697	1.4
148.36497	0.9
149.09612	1.2
149.13327	1.8
151.11195	4.5
153.09105	1.5
156.08421	18.9
156.10208	12.0
157.06760	6.8
162.02205	23.0
168.06613	1.2
173.13277	7.0
174.09477	12.4
179.04849	14.3
184.07797	1.1
189.03349	1.4
191.10678	1.3
191.14317	9.8
209.15366	7.5
210.11214	6.0
216.06929	4.4
216.32404	1.0
233.05910	3.2
245.05870	1.2
259.11124	100.0
260.09317	2.2
260.11679	1.6
275.10223	1.4
277.12247	1.4
285.12579	2.7
291.06393	1.0
292.12799	3.3
297.08664	1.1
303.05063	0.9
308.09085	5.7
313.12238	5.0
331.13263	6.5
334.05963	1.2
388.15466	4.8
389.13553	3.1
406.16260	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17122	1.6
55.01876	9.6
55.05511	3.9
56.05015	2.9
56.72279	1.5
56.96550	2.7
57.03435	3.7
58.99574	2.5
61.02629	1.5
61.02926	6.1
67.05518	13.3
68.31647	1.8
69.03430	4.0
69.07062	6.1
69.69013	9.5
70.06594	2.6
71.04991	3.5
72.08148	1.7
76.02236	7.8
79.05502	9.5
81.03420	30.1
81.07058	20.2
83.01342	2.2
83.08636	3.7
84.04517	8.9
85.02891	5.2
85.06526	1.6
86.99043	2.5
87.02702	2.5
91.03955	3.7
91.05491	11.3
93.07060	14.5
95.01321	2.5
95.04966	10.4
95.08620	12.0
97.02891	2.1
97.06561	2.6
97.10186	2.8
98.09681	4.7
98.21458	3.2
98.97565	3.4
99.08050	1.7
100.90829	1.4
101.02390	1.8
102.05531	1.8
105.07041	10.4
107.04958	6.4
107.08607	6.2
109.02872	2.4
109.06531	3.6
109.10177	1.7
110.97561	2.6
111.04459	1.7
113.04237	2.1
116.01717	7.7
117.06993	3.2
119.04997	2.1
119.08573	7.0
121.02840	2.8
121.06524	13.8
121.10139	3.8
123.04420	3.0
123.08080	3.2
123.11726	2.1
125.02345	3.7
127.03919	2.8
128.98584	2.0
129.06998	3.2
130.04926	2.3
130.06914	1.9
131.04922	3.4
131.08549	5.9
133.06514	2.8
133.10138	5.9
135.04402	4.9
135.08046	4.6
135.11676	5.1
137.05972	2.3
137.09610	1.7
143.08565	4.7
144.01152	3.1
145.10127	3.5
147.04401	4.0
147.08057	5.6
147.11703	2.1
149.06099	1.7
149.09604	2.9
149.13245	5.0
151.03917	2.5
152.06392	1.4
156.08447	6.2
156.10196	3.9
157.06740	2.7
159.11700	5.3
161.05922	1.8
161.09734	2.8
161.13249	5.8
162.02217	6.4
163.03935	1.9
163.11336	1.7
165.12703	1.6
165.63579	1.5
171.11685	9.4
173.13086	1.7
174.09512	4.0
177.12750	11.8
179.04842	4.3
187.11197	2.9
189.12756	5.6
191.14351	1.8
201.12805	2.3
202.69545	1.6
205.12224	3.5
207.13832	32.6
216.06967	1.7
217.12361	3.7
219.01744	3.7
219.13876	1.9
225.14769	2.7
233.15424	2.3
237.02773	5.4
238.41129	1.6
243.13742	4.1
248.77982	1.8
259.11124	40.2
261.15012	9.3
269.13828	4.2
271.13126	1.6
289.14325	29.6
289.31812	1.8
299.12827	2.3
307.15427	50.5
308.18747	1.8
316.39673	1.6
325.16489	36.9
331.13284	3.0
335.14899	100.0
353.15942	40.6
365.05548	4.6
371.17007	24.5
383.06561	6.0
388.19809	2.7
406.16446	3.2
406.25635	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05510	4.5
56.05037	6.9
57.03445	5.9
58.99593	13.3
61.02911	1.3
67.05496	3.2
68.04996	1.3
69.03423	2.2
69.07054	4.0
70.06595	6.7
70.76926	1.9
71.04994	3.6
72.08146	3.2
73.01155	1.4
74.00672	2.0
74.02438	1.4
76.01836	2.0
76.02237	25.8
76.03994	2.8
79.05481	4.4
81.03438	1.6
81.07061	19.1
81.11199	1.1
83.06102	1.7
84.04509	26.2
84.08141	2.7
85.01128	3.0
85.02907	8.8
85.06544	1.4
86.00647	3.1
86.09711	9.3
86.99044	6.9
87.02695	6.1
88.02215	3.4
91.05468	3.3
93.07050	5.9
94.06547	1.7
95.04975	4.5
95.08614	11.2
97.01122	1.9
97.02885	3.4
97.06526	2.6
98.09692	9.0
99.04453	1.6
99.08111	5.1
102.05537	4.6
105.07045	6.7
107.08601	5.6
109.10161	3.7
110.09692	2.6
112.03960	3.7
113.04239	7.5
113.05999	2.2
114.05530	1.6
116.01685	22.9
118.06534	4.7
119.08587	2.7
120.08057	2.3
121.06491	2.0
121.10169	5.2
122.09647	1.9
123.08055	2.4
123.11734	0.9
125.09624	1.4
125.47740	0.9
127.03947	1.8
129.06520	1.6
129.10159	1.2
129.24356	1.0
130.05011	11.2
130.06883	4.9
130.08646	1.9
131.08557	4.2
133.10139	42.8
135.08089	2.1
135.11691	2.0
137.09596	1.6
139.05753	1.9
142.03210	3.6
142.04956	2.1
143.02780	1.4
143.10588	1.0
144.01160	8.0
144.04839	1.0
145.04985	2.2
145.10150	2.6
147.11688	2.1
149.13268	2.0
151.11189	8.5
156.08440	18.2
156.10225	10.9
157.06787	7.8
158.10883	2.7
162.02208	23.8
163.11244	1.4
163.14818	3.3
163.55406	1.0
170.02773	1.4
173.13290	16.7
174.09486	10.8
179.04868	12.6
191.10635	2.5
191.14319	30.3
209.11754	2.2
209.15408	13.8
210.11282	6.0
216.06908	5.1
233.05836	2.0
249.79530	1.3
259.11136	100.0
260.09274	1.3
260.11713	1.3
269.09158	1.3
285.12555	3.3
292.13025	2.1
297.08713	1.4
308.09048	3.5
313.12213	3.6
331.13223	6.9
371.20535	2.0
388.15250	3.2
389.13470	3.8
406.16156	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	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01859	1.9
55.05506	2.8
56.05031	2.6
57.03440	2.5
58.99587	3.7
61.02906	1.6
63.55824	0.9
65.41223	0.9
67.05493	2.0
69.03440	5.1
69.07059	3.0
69.87183	4.2
70.06591	1.6
71.04979	2.8
73.02898	1.0
74.00628	1.4
75.60282	0.9
76.02240	7.8
79.05496	7.4
81.03419	1.4
81.07065	12.4
83.04964	2.5
83.06076	1.0
84.04119	0.9
84.04506	10.1
84.08147	2.0
85.01139	1.5
85.02914	10.1
86.00644	2.2
86.09698	1.6
86.99060	2.8
87.02704	1.6
89.01138	0.8
91.05495	7.0
93.07042	7.4
95.04987	1.2
95.08630	5.9
97.02886	3.6
97.06515	3.6
98.09693	4.7
99.08091	2.7
102.05547	1.9
105.07034	16.9
107.08604	48.8
109.02884	1.6
109.06528	11.4
109.10142	2.8
112.03959	1.7
113.04221	2.1
115.07564	1.2
116.01673	9.5
119.08575	4.0
120.08121	1.1
121.10161	13.4
122.07266	2.1
123.08067	2.7
127.03915	2.7
129.06578	1.4
130.04999	2.7
130.06819	1.1
131.08575	8.7
133.10143	100.0
134.10452	1.5
135.08028	3.2
135.11671	1.8
137.09622	18.0
142.03246	1.1
143.08548	1.6
144.01120	3.0
145.04967	4.1
145.10141	3.1
147.11684	5.2
149.09593	1.0
149.13257	9.5
151.11208	1.4
153.09189	1.0
156.08444	5.2
156.10208	4.3
157.06836	2.7
158.10907	2.4
162.02209	8.0
163.14830	1.5
165.05484	1.0
173.13269	19.2
174.09511	3.8
179.04900	4.3
191.14313	35.8
207.13762	1.6
209.11635	0.9
209.15498	6.1
216.06906	2.1
246.85776	0.9
259.11139	43.8
283.15546	1.2
305.64865	0.9
306.55225	0.9
311.56998	0.9
313.12039	2.0
326.39819	1.3
331.13223	1.5
388.14832	1.1
406.16333	1.8
427.89429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	3.3
55.05496	3.9
56.05025	4.7
57.03441	6.8
58.99590	9.3
61.01146	1.2
61.02919	2.3
67.05505	2.7
68.25905	1.1
69.03415	4.9
69.07056	3.9
70.06618	1.4
71.04990	2.9
71.09210	2.3
72.08131	2.1
73.02872	1.3
76.02229	19.7
76.04010	1.3
79.05497	9.2
81.03414	1.3
81.07052	20.2
83.04971	3.1
83.06120	2.0
84.04503	24.1
84.08156	1.4
85.01118	3.3
85.02917	11.6
85.06555	1.4
86.00636	3.2
86.09698	1.7
86.99058	5.8
87.02686	5.6
88.02239	1.7
89.67702	1.1
91.05503	6.3
93.07065	8.6
95.04976	1.9
95.08605	9.9
96.08066	1.3
97.02877	3.4
97.06544	7.1
98.09702	11.6
99.08092	4.8
102.05553	5.3
105.07024	14.0
107.08599	47.8
109.06532	11.3
109.10151	3.6
110.09663	1.6
112.03959	2.4
113.04238	4.9
113.09540	1.1
116.01678	18.3
117.07025	1.6
119.08575	3.1
120.08125	1.4
121.06505	1.1
121.10145	13.5
122.07244	2.3
123.08080	5.0
123.10438	1.2
127.03987	2.0
129.06557	2.3
129.10199	2.2
130.05009	7.2
130.05800	1.1
130.06874	3.6
130.08623	1.9
131.08585	8.1
133.10136	100.0
135.08022	3.4
135.11656	3.1
135.29909	1.1
137.09613	20.5
139.05762	2.2
142.03206	1.1
143.08516	1.4
144.01144	7.6
145.04927	3.4
145.10118	3.5
147.11642	3.4
149.09590	1.9
149.13248	8.3
151.11159	2.4
156.08441	18.7
156.10226	13.4
157.06807	6.9
158.10890	2.9
162.02206	20.8
163.14783	2.7
173.13278	20.2
174.09488	10.8
179.04865	7.3
191.10663	1.8
191.14322	40.2
207.13895	1.7
209.11766	2.2
209.15446	8.8
210.11218	2.0
216.06891	5.4
233.06006	1.8
242.08556	1.9
258.63461	1.0
259.11130	95.6
285.12665	2.2
291.06171	1.4
292.90659	1.1
308.09137	1.5
313.12054	3.4
331.13120	4.3
361.17990	1.1
389.13400	2.0
406.16385	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	406.259
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.05511	1.4
56.05021	0.8
57.03439	1.9
58.99590	1.2
61.70475	0.7
67.05487	1.5
68.05028	0.8
69.07062	2.6
70.06582	1.1
76.02213	2.9
79.05479	2.7
81.03416	0.7
81.07054	5.1
81.68681	0.9
84.04515	6.0
85.02910	25.0
86.00660	0.8
86.09713	2.2
86.99041	0.8
91.05489	2.3
93.07036	6.5
95.08617	1.9
98.09699	1.4
98.21568	1.3
99.08103	0.9
105.07021	2.1
107.07346	3.2
107.08600	2.5
108.08131	1.2
109.10153	0.9
113.04232	1.1
114.05558	2.1
116.01672	2.7
117.06968	1.0
119.08601	1.6
120.08105	4.1
121.10134	1.6
122.09669	1.3
130.05034	1.9
130.06900	1.1
131.03438	2.8
133.10132	1.3
134.09653	8.4
135.10536	1.2
135.11697	3.5
136.11256	1.1
142.05031	1.1
144.01114	1.5
145.10057	0.9
146.09622	2.8
147.10394	0.9
148.11215	12.4
148.86929	0.8
156.08388	3.4
156.10269	1.1
157.06821	1.3
161.13264	0.9
162.02188	3.0
162.12794	39.1
174.09499	2.1
176.14345	3.7
177.14975	1.6
178.15901	1.8
179.04906	0.9
184.07358	1.0
229.36015	1.0
237.09940	3.7
250.10818	2.4
259.11160	14.4
264.12241	1.2
265.17416	0.8
266.13876	2.5
274.14560	0.8
276.23251	11.0
278.13910	7.2
279.47238	0.8
292.15433	45.6
293.15781	1.3
294.17102	1.3
299.18250	1.0
308.18567	27.6
313.12271	1.2
359.68695	0.8
360.25317	1.1
406.25867	100.0
407.26187	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
56.05021	1.7
57.03437	2.2
58.99584	2.8
59.77359	1.3
69.03420	1.7
69.07061	3.3
70.06583	5.0
70.65303	2.7
72.08136	1.7
76.02213	4.9
76.04029	1.2
79.05497	2.3
81.07046	3.7
82.07379	1.1
84.04522	8.3
84.08147	2.2
85.01121	1.4
85.02924	2.0
85.04840	1.6
86.09693	4.3
90.46087	1.3
91.05460	3.1
93.07038	2.3
94.06585	1.5
95.04964	2.9
95.08604	2.0
98.09682	2.8
98.97595	3.3
99.04460	1.4
105.07027	3.9
107.08620	1.8
108.04466	1.4
109.06544	1.2
110.10466	1.5
112.08984	1.3
113.04281	1.9
116.01658	3.4
119.08590	2.9
120.04454	3.0
120.08137	2.1
124.03957	1.8
129.06609	1.3
130.04994	1.9
134.05968	1.7
138.05490	4.4
144.01158	2.0
145.10063	2.1
147.04472	1.8
148.07582	1.5
156.08446	3.7
156.10190	2.6
157.06636	1.4
157.08742	3.1
162.02216	3.6
162.05496	2.0
163.02559	2.0
163.03960	1.5
166.08565	1.8
174.09459	2.3
178.04985	10.1
178.08510	1.5
179.04848	1.6
188.03401	8.2
196.06082	3.6
199.08604	2.6
200.10855	1.5
201.10263	2.1
206.04549	1.7
209.11763	1.8
210.09193	1.5
210.12035	2.3
213.08051	1.8
213.10164	6.6
214.08653	3.4
215.08147	3.6
216.10164	1.4
217.09660	2.8
223.08588	1.9
225.10280	1.6
226.08603	2.6
227.08232	10.3
227.11787	3.8
228.10471	1.5
229.06133	3.0
229.09657	3.3
237.10254	9.4
239.08235	1.4
239.11774	3.7
241.09714	12.6
243.11266	5.7
245.08279	1.9
246.11195	1.6
251.08073	7.5
254.08112	1.2
255.07672	6.6
255.11179	8.4
256.09747	1.8
257.09232	3.0
259.11032	9.1
260.11465	19.7
265.09744	10.7
266.10544	1.7
267.11282	3.6
268.09723	2.4
269.09229	28.6
269.12170	1.6
271.07886	1.4
271.10797	11.9
273.08774	9.2
273.12332	4.7
274.10757	2.4
279.07681	14.9
280.08432	1.2
283.10745	11.4
284.09045	2.4
285.12283	1.9
287.10223	3.8
289.11774	1.4
293.09225	16.9
297.08725	37.0
299.10248	10.0
301.11911	9.2
302.10190	2.8
311.10287	9.0
312.08981	2.1
313.11868	4.9
315.09674	18.6
315.12808	3.1
317.11279	14.0
319.12830	8.3
321.08661	11.9
325.11835	4.1
329.11237	8.3
331.12994	2.0
333.10822	15.0
339.09769	21.2
343.12808	8.2
345.10864	19.0
347.12500	5.2
357.10785	11.8
358.08902	1.4
371.12439	14.3
375.11874	11.0
377.13382	4.8
379.14938	2.9
389.13428	83.5
390.13226	1.8
407.14456	100.0
408.14777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90242	0.5
60.08399	0.5
65.54673	0.5
71.51122	1.0
77.49057	0.5
101.00868	2.3
119.01930	5.5
130.36162	0.5
134.99953	0.8
137.02986	0.7
140.98865	0.7
158.99925	1.7
177.00975	12.6
182.99887	1.0
185.74719	0.6
201.00977	2.2
217.04132	2.6
219.02032	22.6
220.02161	1.2
221.01990	0.9
221.65059	0.7
225.01106	2.1
243.01985	11.3
259.00037	0.9
261.03088	100.0
262.03265	2.9
263.03101	1.3
283.00055	2.2
284.00134	1.1
284.04633	1.4
284.99780	0.8
301.00952	1.9
302.01263	1.0
313.65057	0.5
343.50226	0.6
367.02148	2.4
385.03177	20.5
386.03293	0.8
403.04276	17.7
408.05017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
52.33857	0.2
53.03942	0.9
55.01872	0.4
56.10777	0.2
56.91434	0.2
57.03436	0.2
69.03426	0.5
69.17287	1.8
77.03962	0.3
79.05500	2.0
81.03408	0.3
81.07028	0.2
84.04491	0.2
85.02904	2.3
89.02782	0.2
95.04980	0.7
97.02887	0.7
105.04508	0.5
105.07042	0.2
107.04964	100.0
108.05309	0.6
109.04187	0.2
109.06557	0.4
121.06512	0.5
127.03969	0.3
133.06500	0.2
145.04982	0.6
145.06477	0.3
148.07544	0.3
149.06039	0.4
162.02336	0.2
164.26764	0.2
179.89732	0.2
229.08575	1.4
233.08185	0.3
251.09201	1.5
258.12234	0.2
269.10245	0.7
287.11282	0.2
408.27597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48067	0.3
53.03927	0.7
55.01875	6.6
55.02131	0.3
55.05513	2.2
57.03444	5.2
61.02930	1.3
67.05513	2.9
69.03446	3.3
69.06724	0.5
69.07075	5.8
70.06590	0.4
71.04997	1.2
71.52708	0.4
72.08161	1.6
73.02929	4.9
79.05069	0.5
79.05500	5.1
81.03407	1.0
81.07069	18.4
82.25677	0.4
83.04994	1.3
84.04488	0.4
85.02438	0.5
85.02916	5.9
85.06567	0.7
86.09705	3.1
91.05488	4.5
93.07064	5.5
94.07346	0.4
95.04989	2.3
95.08629	4.2
97.02908	1.4
97.06544	7.1
99.04478	0.8
105.01781	0.3
105.07046	13.9
107.08619	6.1
109.02920	0.6
109.06534	14.0
109.10159	4.2
110.07209	0.5
111.11723	0.9
113.06001	0.4
117.07032	1.1
117.44534	0.4
119.05004	0.4
119.08595	15.9
120.08133	1.1
121.06524	2.7
121.10162	9.6
123.08083	4.2
123.11710	1.2
124.41512	0.4
127.03930	0.8
131.08565	0.8
133.06476	0.6
133.10156	2.7
135.08072	3.7
135.11722	0.7
136.07593	1.6
137.06001	4.7
137.09633	19.0
137.13191	0.5
139.11192	3.8
142.07822	1.3
145.04959	0.8
145.10104	1.1
147.04425	0.4
147.08070	1.1
147.11710	12.9
149.09637	0.8
149.13269	0.4
151.11223	3.9
153.01839	0.4
157.10144	3.2
160.08791	0.7
163.11206	1.5
165.09132	0.6
165.12787	5.3
175.11205	23.2
179.07069	0.6
181.12267	2.1
185.16554	1.2
193.12267	72.7
194.12596	1.2
196.09695	1.3
199.13326	2.4
211.13316	100.0
212.13660	1.1
213.16017	0.6
229.10869	0.5
229.14375	11.9
247.06084	4.5
249.12146	0.4
372.20953	0.4
408.16782	0.4
431.27069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.81616	0.5
55.01863	2.2
55.05511	3.3
57.03419	2.2
59.04974	0.5
61.02905	1.8
67.05505	8.0
69.03427	3.5
69.07073	4.8
69.07395	0.9
70.06583	1.4
71.04981	1.7
71.17352	1.3
73.02907	0.7
79.05494	4.3
81.03412	1.6
81.07057	29.1
83.04973	2.2
83.08617	3.4
84.04511	0.7
85.02435	0.9
85.02910	12.3
85.06525	2.2
86.09716	0.7
87.04459	0.7
91.03926	1.0
91.05487	8.1
91.17506	0.5
93.07039	4.2
95.04993	0.9
95.08601	6.1
97.02885	4.2
97.06511	2.1
99.04427	1.2
99.08114	1.4
101.06025	0.6
105.07037	13.9
107.08596	5.6
109.02843	1.2
109.06496	2.5
109.10119	1.0
113.05999	1.0
119.08583	12.3
121.09414	0.5
121.10140	11.9
121.15578	0.6
123.08057	1.9
123.11710	16.8
127.03898	2.0
127.07528	2.2
131.08545	0.8
133.10118	1.7
137.13257	1.7
141.09074	0.7
145.04951	3.0
147.11691	48.8
157.10072	1.0
165.12759	33.7
175.11214	1.3
180.08696	5.0
183.13806	13.2
193.12218	4.2
211.13263	9.1
229.14359	100.0
230.14742	1.2
261.10660	0.6
377.01743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
57.03430	0.7
59.05008	0.5
67.05496	1.8
69.03422	0.6
69.07066	3.7
70.64748	1.4
71.04995	12.7
72.08154	0.5
74.42071	0.5
79.05499	0.8
81.03405	0.5
81.07061	2.5
85.02915	2.8
85.06536	1.5
93.07041	2.7
95.08608	6.5
97.02877	0.7
97.06525	1.8
97.10140	1.0
99.04460	41.0
102.41674	0.5
105.07050	1.1
107.08598	5.4
108.01288	0.4
109.06567	0.6
109.10153	5.2
111.11711	0.6
113.09660	5.5
115.07578	2.3
115.89400	0.4
118.09058	0.4
119.08563	3.7
120.08142	0.7
121.10130	1.5
123.08082	1.1
123.11714	2.2
125.09637	1.9
128.42944	0.5
128.43874	0.6
133.10139	3.3
135.11696	14.2
137.09584	0.5
139.11188	0.9
141.12733	2.3
145.04962	0.6
149.13225	0.6
151.14815	1.9
153.01894	0.5
153.12753	1.1
162.02318	0.4
169.15891	0.9
175.14841	6.5
193.15901	5.1
211.16940	100.0
212.17346	1.0
261.69077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05509	1.6
57.03436	0.7
57.07067	0.6
59.99230	0.5
63.72044	0.5
67.05494	2.3
69.03397	0.9
69.07064	4.6
69.41563	0.8
69.41966	3.0
69.54251	0.6
70.06597	0.8
71.04996	4.3
72.82942	0.5
73.02903	0.6
73.85915	0.5
79.05483	1.6
80.79938	0.5
81.07067	4.0
83.04971	1.0
83.08611	1.0
85.02900	2.0
85.06550	8.4
86.09708	1.5
91.05451	1.2
93.07048	5.8
95.08604	6.1
97.06523	0.7
99.08103	4.5
105.03459	0.7
105.07027	1.7
107.08591	9.5
109.10162	16.1
111.08086	1.3
113.06007	1.3
119.08583	4.3
120.08075	0.7
121.10144	2.9
123.11720	4.0
124.31381	0.6
127.11171	2.1
133.10121	4.1
135.11699	23.1
135.12730	1.3
137.09544	1.2
139.11169	1.0
147.11693	1.8
149.13264	8.0
151.11154	1.0
151.14835	1.8
153.01935	0.5
153.12758	14.7
165.12839	0.7
167.14304	1.1
175.14838	9.1
193.12329	0.6
193.15848	2.7
211.16939	100.0
212.17155	1.2
229.14288	1.3
247.06024	0.6
261.10632	0.6
409.18365	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	409.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
57.16686	1.1
60.04525	3.4
67.01891	1.0
67.05502	1.9
69.03450	2.1
69.78959	5.1
70.06590	4.3
72.08157	5.6
79.12459	1.2
81.07064	2.6
84.04510	5.2
84.08148	2.7
85.02907	3.4
86.09713	6.4
91.05498	1.9
93.07071	1.4
95.08595	1.4
103.92011	1.2
115.68536	1.5
120.08115	3.5
124.07614	1.4
125.02295	1.4
129.10269	2.5
130.04979	2.3
136.07610	1.8
138.05505	1.2
141.06940	1.2
152.07130	1.3
159.11305	1.5
171.09465	1.1
172.07585	1.5
187.05016	11.7
187.08696	1.4
197.07124	1.6
199.08629	1.7
200.07248	2.3
201.06619	4.1
205.09769	1.3
211.05070	3.7
211.08716	4.4
211.13348	1.3
213.10269	1.5
215.08194	13.0
217.06227	1.8
223.08812	1.3
225.06645	3.8
226.07390	1.3
227.08157	2.3
229.06247	6.9
230.06854	2.8
233.09222	4.5
239.08235	12.1
241.09776	5.6
243.07649	22.5
244.08261	1.4
245.09357	1.9
247.05969	22.2
247.12975	1.5
253.06158	4.3
254.06891	2.8
257.05408	1.4
257.09277	11.5
258.06384	2.0
259.06961	1.7
259.10843	1.6
260.19647	1.5
261.08612	10.1
261.10760	1.3
262.11185	4.5
267.07669	11.6
269.09238	4.5
271.07129	15.7
273.08682	3.5
285.05511	2.3
285.08713	44.7
287.10193	2.4
289.08191	28.9
295.07214	3.8
297.08658	8.0
303.09763	16.2
307.09341	6.6
313.08170	47.9
315.09756	15.5
317.07681	1.4
331.09265	71.3
332.09381	1.7
333.10889	14.9
336.95084	1.3
341.07794	5.7
349.10321	63.9
359.08704	18.9
367.11398	9.6
377.09790	21.9
391.11346	29.5
409.12375	53.3
409.18320	100.0
410.12872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05503	1.4
67.05517	1.1
69.03435	1.3
69.88705	5.0
70.06593	6.8
72.08154	3.9
81.07092	2.0
84.04535	2.4
84.08144	2.4
85.02912	3.4
86.09705	6.0
91.05463	1.0
94.96297	1.0
95.04984	1.1
95.08627	1.3
97.02871	1.5
98.09719	1.2
103.44091	1.0
116.07111	3.5
119.08560	1.6
120.08121	4.7
121.08372	1.1
122.06088	1.1
125.02230	1.0
129.10283	2.5
136.07579	2.8
147.04405	1.1
153.01862	2.4
161.07155	1.3
166.08597	1.0
173.07196	1.0
187.05038	9.6
196.07628	1.3
197.07095	2.2
199.08730	1.2
201.06633	5.6
203.93095	1.1
211.05028	3.3
211.08664	4.3
212.13615	1.3
213.06575	1.7
213.10223	1.6
215.08192	10.8
217.06116	1.6
217.09727	1.9
225.06659	4.6
226.07245	2.8
227.08080	1.9
229.06120	7.0
229.09712	1.0
230.06865	1.7
231.07611	1.7
233.09216	2.8
239.08162	11.3
241.09703	3.6
243.07683	23.0
245.09271	3.2
247.05992	17.7
247.13161	2.9
253.06119	3.5
254.06956	3.6
257.09253	11.2
259.07138	2.3
259.10687	1.2
261.08710	9.2
262.11151	1.2
267.07739	9.0
268.15530	2.4
269.09244	4.6
271.07172	17.0
273.08652	3.9
279.09760	2.9
285.08713	40.1
286.09152	1.2
287.10269	2.0
289.08173	29.9
295.07208	5.1
297.08704	7.5
303.09729	11.6
307.09213	7.2
311.10077	1.1
313.08194	54.7
315.09766	16.3
317.07712	2.0
331.09253	73.0
333.10812	13.3
341.07614	5.7
349.10300	61.8
359.08731	15.2
365.20654	1.2
367.11407	14.5
377.09790	31.1
391.11404	28.0
409.12408	56.3
409.18323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51096	2.1
55.01863	4.5
55.05501	7.1
56.05044	10.0
56.05844	3.3
57.03422	8.2
58.99594	9.1
60.99169	11.2
61.99496	1.9
68.05005	2.6
69.07071	2.1
70.06584	1.8
71.03356	4.4
76.00267	2.3
76.02225	9.4
76.04015	3.8
77.02567	2.6
78.01804	23.3
79.02122	2.2
79.05486	5.2
80.05816	4.3
80.67141	1.8
81.07053	23.8
82.07396	12.4
83.06072	3.0
83.08604	8.0
84.04502	39.3
84.08956	3.7
85.04828	12.6
85.13825	1.7
86.99059	4.3
87.00656	2.0
87.02668	2.0
88.00197	4.3
88.98618	7.3
89.02252	5.6
90.01767	2.2
90.16088	1.7
95.08603	3.7
97.42200	1.9
98.09711	15.4
99.08094	5.6
99.10051	8.9
100.08413	3.1
102.05531	5.1
111.10008	1.9
112.03955	3.0
113.04217	3.0
115.03793	5.8
116.01708	18.2
116.04133	2.6
117.02003	8.2
118.01257	20.9
118.02037	3.0
119.01595	5.8
123.08010	2.4
129.06602	5.9
130.05011	10.1
130.06903	3.2
131.05344	5.4
131.09021	2.0
136.83183	2.0
144.01143	9.2
144.02776	2.7
145.06044	2.4
146.00690	8.9
147.01062	3.3
156.08430	7.3
156.10182	10.6
157.08705	4.0
157.10580	9.8
158.08052	13.4
158.10585	2.1
159.06346	5.5
159.08374	16.1
160.06740	6.4
160.08745	2.8
162.02206	24.3
163.02541	9.4
164.01764	18.9
165.02104	9.2
171.86485	1.8
174.09511	2.0
175.09846	3.7
176.09039	8.4
177.09419	6.2
179.04878	2.1
181.04413	5.0
199.08748	3.5
210.11363	2.3
211.08698	3.3
211.11584	2.7
218.06650	2.6
219.06874	3.1
239.08121	3.5
239.11755	4.0
240.08928	3.1
241.09647	3.5
243.11382	5.0
247.05910	11.0
253.09760	2.8
259.11264	12.6
260.11429	18.8
261.10693	49.1
261.13937	2.5
262.11072	100.0
263.11517	9.4
267.11298	4.8
268.08435	4.8
271.10776	18.1
273.12210	2.2
277.11844	2.1
280.14285	3.6
285.08911	1.7
285.12250	4.3
295.10764	4.6
313.11841	5.7
316.12567	2.9
323.10196	7.5
323.48264	2.0
327.13501	2.7
334.13223	8.2
335.12360	3.3
341.11304	16.1
355.12799	3.3
359.12323	3.2
373.13901	10.3
391.14960	18.5
409.09909	3.8
409.16061	80.8
409.21881	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	409.1622
Annotation	Pestalospirane B
Peak:m/z	Relative Intensity
55.01880	5.3
57.22918	0.9
61.02909	0.9
62.67386	0.7
63.42962	0.7
65.68689	0.7
67.05498	1.2
69.03413	2.0
70.59039	0.8
71.52676	0.9
71.53051	0.7
79.05481	1.5
81.03384	1.7
81.07021	1.5
85.02869	3.6
91.05465	0.8
91.78395	0.8
95.04960	1.0
95.08605	1.7
97.02866	1.6
97.10140	0.9
105.06998	1.5
109.10110	0.8
125.02363	3.9
130.40538	0.8
147.04315	1.1
151.07481	1.4
153.01761	3.0
171.02840	1.1
177.03548	0.9
190.24013	0.8
201.05476	1.0
203.05183	1.4
223.87798	0.7
229.04944	1.2
247.06027	64.3
248.06277	1.4
306.04919	0.8
325.32767	0.8
389.95477	0.9
390.19479	0.8
409.16061	100.0
410.16367	2.0
413.20065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1624
Annotation	Pestalospirane B
Peak:m/z	Relative Intensity
55.01873	4.5
55.05483	1.4
57.03423	1.0
61.02907	1.0
67.05499	1.0
69.03389	1.3
71.53099	1.1
74.42005	0.8
79.05484	1.0
81.03371	1.3
81.07012	2.2
85.02858	3.2
93.06995	1.2
95.04922	2.9
95.08577	2.3
97.02898	1.8
97.10241	0.7
107.08556	1.3
117.07010	0.8
125.02351	4.6
147.04425	1.0
151.07504	1.5
153.01775	2.8
171.02902	1.4
189.46375	0.9
193.12146	0.8
201.05435	1.0
202.86086	0.8
203.05165	1.9
203.08020	1.0
229.04860	2.2
247.06024	72.4
248.06157	1.1
286.50052	0.9
305.60867	0.9
409.11783	3.7
409.16095	100.0
410.16449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.74144	1.6
55.01878	2.6
55.05269	2.3
55.05516	31.3
56.05032	7.1
56.05282	1.6
56.05853	9.1
57.03460	3.1
58.99594	17.9
59.99918	3.7
60.99168	8.1
61.01152	2.2
69.07067	2.0
70.06595	1.5
70.23076	3.7
70.23471	2.8
76.02238	14.4
76.03997	6.0
78.01816	16.7
79.05497	2.3
80.05806	2.2
81.07072	15.5
82.07392	10.3
83.06097	2.9
83.08625	35.0
84.04512	50.3
84.08969	20.1
85.01138	1.8
85.04334	2.4
85.04833	14.6
86.99061	13.1
87.00666	1.7
87.02692	1.9
87.83156	1.6
87.99400	2.6
88.00246	3.3
88.02213	4.6
88.98645	5.3
89.02258	3.8
89.98972	1.8
95.08612	3.3
97.06522	1.9
98.09704	8.8
99.05571	2.3
99.08105	4.1
99.09997	5.1
102.05543	3.1
103.05873	2.6
106.59999	1.6
112.03962	3.0
113.04244	4.1
115.03818	3.0
116.01685	60.0
117.02065	21.5
118.01254	14.7
118.02024	2.2
119.00881	1.6
119.01646	7.2
121.03110	1.5
127.70444	1.5
129.06593	5.1
129.07426	1.9
130.05000	11.2
130.06946	1.8
130.08635	1.6
131.05363	4.4
131.09016	2.0
132.06453	2.2
142.03201	3.7
143.03618	2.0
144.01175	27.3
145.01540	10.5
145.06099	2.0
146.00656	3.3
156.08437	3.4
156.10223	7.5
157.08813	4.1
157.10570	5.9
158.08046	8.9
159.06407	2.4
159.08406	39.7
160.06706	5.0
160.08755	26.0
162.02226	100.0
163.02586	40.0
164.01767	17.5
164.02847	2.0
165.02145	6.9
176.09026	4.0
176.11017	4.7
177.09390	2.7
177.11464	3.3
181.04451	5.7
182.04785	3.1
218.06500	2.6
219.06804	3.0
245.10484	1.5
247.06064	2.4
259.11069	5.2
260.11456	13.3
261.10718	31.6
262.11078	97.5
263.11444	48.6
279.13867	13.7
280.14127	28.7
316.12173	2.2
334.15387	10.3
356.71609	1.5
391.15717	3.3
409.11218	2.7
409.17175	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
61.49842	0.2
61.80080	0.3
69.62930	0.6
69.63337	0.8
85.02900	0.4
95.04954	0.2
119.08543	0.3
125.02326	0.3
130.66982	0.2
136.07513	0.3
152.83597	0.3
153.01891	0.3
167.71382	0.3
203.05234	0.3
208.77576	0.3
229.12039	0.6
247.06020	4.3
247.12988	1.6
409.18350	100.0
410.18808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77913	0.3
55.01876	0.9
55.05492	0.4
56.59977	0.3
69.03435	0.5
69.68643	0.7
69.69049	1.1
70.06613	0.8
74.61531	0.4
81.03465	0.4
84.04502	0.4
85.02908	0.7
89.43746	0.3
90.97208	0.3
91.05529	0.4
95.04992	0.4
95.08654	0.4
97.02929	0.5
97.32883	0.3
98.21523	0.4
116.07127	0.5
119.08554	0.5
125.02353	0.6
153.01886	0.7
171.02916	0.5
196.62958	0.3
202.13443	0.3
212.13693	0.5
229.04948	0.5
229.12003	0.5
247.06023	10.9
247.13185	1.0
288.14294	0.7
409.18347	100.0
410.18735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Woodhousin
Peak:m/z	Relative Intensity
55.01858	0.6
55.05506	0.3
56.05022	0.2
56.87666	0.2
64.48803	0.2
67.05508	0.3
69.07094	0.2
69.41259	1.8
70.06589	0.3
71.04983	0.4
72.08157	0.2
73.92139	0.2
81.07072	0.5
84.04518	0.2
84.08159	0.4
85.02894	0.7
85.06532	0.7
86.09703	0.4
91.05465	0.2
93.07050	0.5
95.04971	0.6
95.08607	0.7
96.08923	0.4
97.02859	0.3
99.08105	0.3
105.03397	3.8
105.07047	0.3
107.08581	0.8
108.08930	0.4
109.10172	1.2
110.10477	0.7
119.08588	0.6
120.08965	0.4
121.10063	0.2
123.11687	0.3
124.27139	0.2
125.02348	0.5
127.03895	0.3
130.04970	0.2
134.10594	0.2
135.08116	0.3
135.11728	1.3
136.11993	1.3
146.36617	0.2
147.04446	0.3
147.11664	0.2
149.13306	0.5
150.13586	0.5
153.01840	0.4
153.12743	0.8
154.13049	0.6
162.06491	0.7
173.05801	1.1
175.14845	0.3
176.15135	0.4
179.80125	0.2
194.16264	0.3
199.03975	0.3
203.03581	0.4
203.05283	2.1
205.18736	0.2
211.16943	3.6
212.17293	6.9
229.12009	3.9
242.28403	0.3
247.06053	7.0
247.09412	1.3
247.13042	3.0
255.06581	1.0
283.06131	0.6
287.05496	1.6
291.10056	0.2
294.71722	0.2
385.48798	0.2
409.18344	100.0
410.18823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.7
55.05498	3.8
57.03436	8.9
61.02916	4.5
67.05499	2.5
69.03092	1.1
69.03429	6.8
69.07074	1.5
70.06587	2.2
70.10451	2.9
71.01351	1.5
71.04607	1.6
71.04999	25.4
73.02914	3.5
75.04481	7.2
79.05502	1.4
80.61823	1.0
81.03411	3.4
81.07045	3.6
83.04997	4.8
84.08145	2.2
85.02910	83.2
85.06529	1.3
86.03231	0.9
86.09704	3.8
87.04469	2.6
91.03987	1.2
91.05486	2.7
93.07050	2.5
95.04948	6.0
95.08605	3.6
97.02911	7.3
101.06002	1.7
105.07023	2.7
107.04967	1.8
107.08590	2.5
109.02877	1.4
109.10153	3.8
111.04434	3.6
111.08060	3.6
117.07052	1.2
119.08582	1.7
120.08139	1.4
121.02857	3.6
121.10156	1.6
123.11666	2.5
125.02341	8.5
127.03909	6.7
129.05489	23.9
130.06529	2.0
132.08020	2.4
133.10127	1.0
136.07596	1.6
137.09601	1.4
139.07564	1.4
145.04980	6.2
147.04445	2.1
147.06512	15.4
147.11703	1.3
153.01849	11.1
154.02187	1.5
159.09175	4.1
163.05956	1.3
170.06068	2.3
171.02849	2.3
176.11526	1.1
179.03476	1.4
194.12581	1.8
201.05394	2.8
223.16940	2.8
229.04988	3.6
247.06036	100.0
248.06357	2.5
255.08472	1.3
269.17581	1.4
271.06107	1.3
291.23203	1.4
337.23697	1.3
355.24982	2.1
367.11499	1.9
409.11130	3.5
409.18387	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03949	6.3
55.05513	17.7
56.16948	2.0
57.07065	8.2
58.90271	2.3
59.05008	5.3
65.03949	3.2
67.05512	21.0
69.03429	7.7
69.07055	7.6
69.28114	19.9
71.05000	2.3
79.05504	22.6
81.07062	38.0
83.05000	5.6
83.08614	4.1
85.06531	5.5
91.05490	40.1
93.06490	3.4
93.07054	58.4
95.04982	55.5
95.08614	36.4
97.06551	16.4
98.21521	4.3
103.05500	3.6
104.06258	3.1
105.07046	100.0
107.04975	2.8
107.08595	28.5
109.06535	14.3
109.10172	9.1
111.08070	3.5
115.05471	3.9
117.07033	14.7
119.04933	3.0
119.08599	69.7
121.06521	19.2
121.10147	21.6
122.07270	2.7
123.08068	19.5
125.06018	2.9
128.06224	6.6
129.07025	11.0
129.67633	2.3
130.07771	6.9
131.08595	23.5
133.06493	7.2
133.10146	25.5
135.08055	15.5
135.11729	4.2
137.09637	11.0
141.07013	5.0
142.07788	15.1
143.08583	23.1
144.09346	6.7
145.09068	4.1
145.10143	52.1
147.08096	19.7
147.11720	32.6
149.09563	11.8
151.07574	28.2
153.06937	3.9
153.09128	4.5
155.08546	9.5
155.10651	2.4
156.09370	11.0
157.10147	29.6
158.10875	2.6
159.08067	8.0
159.11723	19.8
161.09604	10.4
161.13289	6.6
163.11186	7.6
165.09143	38.9
167.08629	4.2
168.09354	10.1
169.10159	15.7
170.11018	3.1
171.11731	16.5
173.09653	6.8
173.13255	9.5
175.11200	28.3
175.14766	4.0
177.09145	3.7
179.08548	3.0
181.10129	8.1
181.12271	7.2
182.11101	3.5
183.11769	19.3
183.13368	2.8
185.13251	7.3
187.11203	6.1
187.14830	2.7
189.12730	11.0
191.14305	2.8
193.10205	4.0
195.11736	8.6
196.12444	3.3
197.11707	3.0
197.13310	7.3
199.11227	5.5
199.14838	3.5
201.12785	7.4
201.16396	3.7
203.14319	15.4
207.11803	3.4
207.13818	12.3
209.13316	4.5
209.15320	4.9
211.14809	11.1
215.14395	4.7
216.15216	2.7
221.13437	3.8
221.15384	85.5
223.14830	3.6
225.16400	3.5
229.15898	7.0
231.13855	3.0
233.15382	4.6
234.16153	14.8
239.14400	2.7
251.17747	3.2
253.15831	3.1
258.14111	2.7
286.19238	4.9
287.19931	11.2
303.01566	2.5
319.84518	2.3
329.21179	7.9
335.20114	2.9
391.26303	10.2
409.18936	3.7
409.27386	95.7
423.66803	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03932	5.9
53.04152	1.2
55.01859	2.2
55.05515	18.1
57.03440	1.5
57.07094	6.3
59.05001	3.3
65.03934	2.5
67.05511	17.2
69.03430	6.7
69.07072	6.6
69.64063	7.1
71.05008	1.8
77.03944	1.3
79.05502	20.7
81.03439	1.5
81.07061	27.2
83.04977	3.5
83.08614	2.5
85.06548	3.4
91.05492	34.6
93.06484	2.6
93.07056	47.0
95.04980	46.4
95.08613	25.1
97.06551	6.7
98.21461	1.8
100.44484	1.3
103.05458	4.3
105.04536	2.4
105.07042	100.0
107.08602	23.9
109.06508	12.5
109.10204	8.5
111.08095	2.9
115.05473	2.8
117.07041	13.9
119.04976	1.7
119.08597	64.9
120.09387	1.5
121.06527	16.7
121.10159	15.4
123.08097	14.2
125.06039	1.6
128.06245	4.8
129.07007	9.1
130.07787	5.6
131.08597	24.7
132.09314	2.1
133.06483	6.2
133.10141	15.2
135.08073	12.9
135.11711	4.7
137.09622	7.6
137.45276	1.4
139.28496	1.5
141.06995	3.6
142.07790	12.0
143.08577	14.4
144.09402	6.1
145.06474	1.7
145.10141	39.2
145.11298	2.0
147.08058	14.1
147.11702	43.0
148.08911	1.3
149.09618	13.6
150.79495	1.4
151.07585	16.0
153.09129	1.9
155.08621	6.0
156.09396	6.2
157.10159	18.6
159.08092	4.3
159.11716	13.1
160.08936	1.7
161.09639	7.9
161.13281	5.3
163.11211	3.4
165.06993	1.9
165.09131	29.5
167.08604	3.3
168.09383	4.2
169.10139	10.3
170.10938	1.6
171.11742	9.3
173.09674	6.2
173.13303	7.7
174.10342	2.1
175.11205	32.3
177.09148	4.8
178.09883	2.3
179.08574	2.1
181.10156	4.2
181.12306	1.8
182.10883	2.4
183.11749	11.2
185.09663	2.3
185.13263	4.5
187.11224	3.8
187.14877	2.8
189.12730	6.0
191.14282	2.4
193.10208	2.9
194.10959	1.9
195.11713	5.6
196.12465	2.2
197.13274	4.3
199.11241	3.6
199.14879	1.7
201.12733	9.2
201.16362	1.7
203.14319	11.9
207.11859	2.6
207.13831	9.0
208.12543	1.4
209.13292	2.7
209.15297	2.9
211.11250	1.8
211.14838	4.5
213.12823	3.7
214.69759	1.4
215.14372	3.9
219.11778	1.5
219.13844	4.3
221.13380	2.9
221.15385	67.5
223.14952	1.9
225.16429	1.9
229.15878	5.0
231.13866	3.5
233.15425	3.0
234.16182	18.1
235.14778	2.1
237.14821	1.5
249.16527	2.4
253.15981	2.3
281.19022	2.1
286.19391	3.6
287.20129	5.9
295.20508	1.5
300.20822	4.9
329.21231	5.7
373.25287	2.1
391.26129	7.0
399.89612	1.3
409.27402	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03044	1.5
53.03941	5.0
55.01889	1.6
55.05514	17.4
57.03428	2.6
57.07067	5.2
65.03954	2.6
67.05505	15.9
69.03417	7.1
69.07060	5.7
69.93216	6.8
71.04974	2.3
79.05499	20.2
81.07060	29.7
82.27008	1.7
83.04987	4.8
85.06555	3.8
91.04970	2.9
91.05484	31.2
93.06480	3.0
93.07045	45.0
95.04974	50.0
95.08620	23.7
97.06521	6.6
103.05471	4.0
105.07038	100.0
107.08597	24.2
109.06520	12.8
109.10149	8.5
111.08090	2.7
115.05425	2.0
116.06221	1.7
117.07013	10.3
119.04916	2.5
119.08587	57.3
121.06522	15.4
121.10138	15.4
123.08076	15.5
128.06197	5.2
129.06989	7.2
130.07785	5.1
131.08568	21.8
133.06482	3.5
133.10144	14.7
135.08073	13.2
135.11653	3.1
137.05946	1.8
137.09576	8.4
141.06972	4.8
142.07773	10.3
143.08557	17.4
144.09337	2.8
145.06519	3.8
145.10138	34.8
147.08043	15.5
147.11694	40.9
149.09615	10.9
151.07559	15.6
151.11282	2.1
154.07829	2.8
155.08554	6.8
156.09377	4.8
157.10104	22.3
159.08055	4.7
159.11726	14.1
160.08913	2.0
161.09641	9.0
161.13243	5.4
163.11159	4.1
165.09114	31.1
167.08537	2.2
168.09297	2.9
169.10150	9.4
171.08080	2.1
171.11696	11.3
173.09622	4.9
173.13275	7.1
174.10350	2.1
175.11201	32.6
177.09128	3.9
178.09987	2.9
179.08574	2.8
181.10129	5.7
182.10948	2.5
183.11719	12.0
185.09650	2.3
185.13263	4.7
187.11189	4.0
187.14804	2.4
189.12746	6.8
191.14316	2.5
193.20393	2.0
194.10905	2.4
195.11757	4.7
197.09630	1.9
197.13255	4.7
198.10426	1.9
199.11235	2.7
201.12750	6.8
203.14374	13.9
207.13805	6.0
209.13312	2.9
209.15298	4.2
211.14827	5.7
213.12723	3.2
215.14394	2.2
219.13867	4.0
221.15370	72.2
225.16350	2.1
229.15926	4.1
231.13855	3.5
233.13268	2.5
233.15425	3.7
234.14088	2.7
234.16180	18.9
253.15903	4.1
287.20099	7.3
300.20877	4.2
311.06357	1.8
329.21027	5.8
335.19803	2.0
348.53696	1.8
391.26193	6.7
409.21927	2.8
409.27344	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01844	2.4
55.05310	1.7
55.05519	19.4
57.07072	6.4
58.61332	1.9
59.05008	2.3
59.88176	1.9
63.88529	1.7
64.26217	1.6
65.03935	2.6
66.36387	1.9
67.05513	28.8
69.03420	8.3
69.07072	10.2
70.69736	5.3
71.04991	2.5
79.05157	1.7
79.05516	21.6
81.07066	36.5
83.04975	5.2
83.08610	3.2
85.06535	5.1
91.05489	34.2
93.06498	2.7
93.07059	51.8
95.04381	2.5
95.04981	49.8
95.08618	36.2
97.06545	10.7
103.05446	2.9
105.07043	100.0
106.07806	2.0
107.08612	30.6
109.06529	13.3
109.10179	35.5
111.08083	4.0
115.05450	3.4
117.07025	15.0
119.08595	68.1
121.06532	19.0
121.10178	18.9
123.08099	21.3
127.11237	2.6
128.06210	5.7
129.06998	10.6
130.07777	6.9
131.08588	26.3
132.09328	2.6
133.06499	4.8
133.10150	23.8
134.96269	1.8
135.08086	15.3
135.11711	4.3
137.05986	2.3
137.09645	9.8
141.06963	4.4
142.07820	12.7
143.08575	26.6
144.09337	5.9
145.06493	3.0
145.10141	43.9
147.08104	17.5
147.11719	37.7
149.09621	8.5
151.07556	25.3
153.07013	1.9
154.07848	2.5
155.08499	10.0
156.09341	7.4
157.10170	24.7
159.08057	6.3
159.11707	18.2
161.09651	7.6
161.13260	4.2
163.11212	5.5
165.09142	35.1
166.07796	2.0
167.08554	4.5
168.09370	7.7
169.10133	17.1
170.10959	2.9
171.08081	2.2
171.11671	12.3
173.09624	5.5
173.13327	6.7
175.11201	27.1
175.14859	2.3
177.09152	4.2
178.09941	2.1
179.08580	3.2
181.10071	5.0
181.12256	3.5
182.10884	3.3
183.11705	15.5
185.13268	5.5
187.11244	6.5
187.14854	4.4
189.12799	7.5
191.14301	3.4
193.10201	2.4
195.11703	5.5
195.13943	2.0
196.12456	2.6
197.13245	5.5
199.11151	2.6
201.12791	12.1
201.16518	2.1
203.14360	17.4
206.10933	2.3
207.11948	3.2
207.13832	11.5
208.12460	2.6
209.13332	5.7
209.15462	5.2
211.11221	3.0
211.14850	7.3
212.29884	1.8
213.12714	2.5
213.16344	1.9
215.14369	3.1
219.13828	4.9
221.13467	3.2
221.15379	71.6
223.14938	2.4
225.16388	2.2
227.14362	2.5
229.15938	7.1
231.13881	3.0
233.15430	4.8
234.16141	13.1
253.15793	2.9
269.19113	2.5
286.19250	3.4
287.20074	9.4
299.20074	2.5
300.20868	4.1
329.21167	4.6
333.22562	2.0
353.21188	2.4
391.26221	10.6
409.27402	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
53.60942	2.2
55.01860	2.7
55.05515	18.7
57.07055	8.4
59.04986	3.3
65.03939	2.7
67.05516	21.4
69.03431	10.7
69.07063	9.3
69.75505	11.5
79.05501	19.5
81.07053	35.1
83.04974	4.3
83.08646	4.8
85.06539	5.9
91.05484	33.0
93.07052	48.5
95.04975	56.0
95.08620	27.1
97.06530	7.2
98.20741	3.8
98.98442	2.8
103.05437	3.0
105.04507	2.2
105.07042	100.0
107.05049	2.5
107.08592	25.4
109.06529	10.5
109.10143	11.7
115.05454	2.7
117.07014	11.5
119.04998	3.4
119.06040	2.3
119.08595	64.0
121.06516	17.6
121.10154	14.7
123.08089	17.8
128.06197	3.7
129.07011	7.0
130.07806	3.6
131.08572	19.7
132.09389	2.9
133.06476	4.4
133.10135	20.1
135.08075	12.7
135.11667	5.0
137.09592	8.6
141.06990	5.2
142.07777	12.9
143.08572	19.3
145.10139	43.7
147.08054	15.1
147.11694	45.6
149.09691	12.3
151.07553	21.7
153.07014	4.0
153.09137	4.1
155.01022	4.8
155.08530	7.0
156.09315	7.7
157.10149	25.6
159.08038	7.1
159.11687	14.4
160.08910	3.0
161.09662	11.5
161.13269	5.4
163.11192	4.8
165.09106	33.3
167.08588	4.3
168.09326	3.9
168.99156	2.4
169.10170	14.8
170.10956	2.7
171.11617	11.8
173.09700	6.8
173.13293	7.8
175.11208	29.8
175.14803	2.8
177.09048	4.8
179.08496	3.7
181.10127	5.3
181.12236	3.9
182.10851	3.0
183.11723	10.9
185.09731	2.6
185.13216	3.6
187.11278	4.1
187.14828	2.7
189.12741	6.7
191.14305	2.7
195.11755	4.0
195.13710	3.7
197.13239	4.7
199.11208	3.3
201.12744	13.0
201.16438	2.2
203.14348	15.0
207.11923	2.7
207.13802	8.4
209.15318	3.6
211.14839	7.1
219.13860	3.3
221.13458	3.2
221.15382	80.5
225.16301	3.1
229.15898	6.9
233.15514	3.7
234.16118	18.2
286.19357	4.3
287.20053	7.6
300.20670	4.1
329.21072	7.4
391.26151	5.3
409.27417	73.7
409.32678	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	410.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93114	0.3
57.07085	5.9
58.06597	1.5
65.03943	1.7
67.05525	0.5
69.03450	0.5
69.07071	0.8
70.06597	15.1
71.08649	3.3
71.52693	0.5
72.08181	0.4
81.07065	0.5
84.08120	0.5
86.09718	0.6
88.07639	20.8
90.46340	0.4
95.04972	0.4
95.08607	0.5
102.09195	14.0
103.01855	0.4
109.10163	0.4
112.71078	0.4
121.02845	0.9
149.02362	50.8
149.03448	3.2
150.02765	0.6
156.17439	0.6
193.04985	54.2
194.05417	0.4
200.20114	55.0
201.20332	0.4
220.92345	0.4
237.07597	70.7
238.07932	0.8
244.22789	0.9
410.25403	100.0
411.25702	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	410.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38998	2.4
69.39399	6.2
73.79323	1.1
93.29868	1.1
93.71887	1.2
94.93023	7.5
96.92832	6.7
102.57247	1.3
106.83208	1.0
111.46115	1.3
118.07657	1.2
167.50575	1.0
201.81444	1.1
204.87114	5.4
206.86894	10.5
212.85352	1.2
214.84955	1.7
230.92224	46.3
263.92612	4.7
318.93860	36.7
335.91870	1.1
410.98596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.05865	0.2
51.91352	0.2
67.60748	0.3
68.09039	0.3
69.82247	1.5
69.88203	0.3
70.06597	0.5
85.02908	0.4
95.08599	0.3
108.45663	0.2
124.03957	0.6
192.03958	0.3
197.24802	0.3
209.64169	0.3
257.49036	0.3
287.29907	0.3
300.56030	0.3
377.11551	0.3
401.04337	0.3
411.19901	100.0
412.20398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48678	2.4
55.05516	24.7
57.03440	4.3
57.07083	4.7
65.59971	2.4
67.05514	32.1
69.07064	21.6
69.85607	8.3
71.04991	5.7
79.05504	22.5
81.07066	80.2
83.05000	7.3
83.08622	13.1
85.06548	4.2
89.50596	2.4
91.05490	28.1
93.07061	23.6
95.04927	3.9
95.08616	100.0
97.06527	16.6
97.10169	7.7
99.08092	8.6
102.78673	2.5
105.07043	38.8
107.08591	13.7
108.57795	2.5
109.06509	5.3
109.10168	7.7
111.08095	6.1
113.09641	4.4
117.07015	3.6
119.08587	42.9
121.10155	13.5
123.08104	6.3
129.38892	2.4
131.08560	2.6
133.10126	28.5
135.11714	21.0
137.09587	2.7
137.13287	15.1
161.13278	89.4
165.12743	3.3
179.14322	72.8
197.15359	9.2
293.57703	2.7
357.27878	9.0
359.38177	2.7
375.29141	4.6
420.37320	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38075	1.1
55.01863	1.6
55.05516	2.7
57.03444	20.7
59.05000	4.9
60.04537	2.1
61.02928	4.1
69.03436	76.4
70.67060	1.9
70.67393	2.8
71.05003	2.3
73.02925	2.3
81.03439	5.9
83.08618	4.3
85.02908	82.8
87.03931	2.1
87.04476	57.5
91.03992	4.0
97.02898	67.2
99.04460	3.5
99.08076	1.7
105.07028	1.4
105.51528	1.4
109.02888	4.0
111.08096	3.1
115.03082	1.2
115.03938	90.9
127.03928	14.3
133.04973	100.0
139.07506	2.7
141.09099	2.3
145.04965	26.7
150.07661	14.0
162.45842	1.1
163.06009	11.4
167.10712	3.6
169.04987	2.0
197.11815	3.9
209.11729	2.0
223.06180	1.6
227.12820	2.0
241.07094	2.5
241.80876	1.3
245.13853	1.7
259.08176	3.9
263.14890	2.0
277.09155	3.2
295.10367	3.0
296.97906	1.3
434.90567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03440	19.4
59.05002	4.7
61.02922	7.2
69.03433	75.3
70.06598	12.0
71.28886	2.3
71.29205	2.3
73.02917	3.2
73.60944	1.8
74.36340	1.8
75.99234	1.7
81.03415	6.6
83.08604	2.4
84.04502	2.2
84.08140	5.5
85.02908	95.6
86.09695	5.3
87.04476	45.0
91.03939	2.8
95.08604	3.0
97.02897	63.4
99.04465	6.3
109.02859	5.8
110.07101	2.7
115.03934	81.1
120.08096	3.4
127.03930	22.0
133.04971	100.0
133.05994	4.8
134.05286	1.9
143.05659	6.1
145.04973	47.7
150.07639	7.6
163.06026	25.6
168.69563	1.9
169.04944	2.6
215.12833	3.2
229.15512	3.6
233.13873	3.0
241.07164	3.0
259.08145	6.7
263.14963	10.0
277.09067	4.4
295.10205	6.2
412.19278	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	412.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.05515	8.9
57.03446	7.5
57.07076	6.4
59.04991	1.4
67.05515	8.8
69.06728	1.7
69.07072	19.2
70.42605	3.1
70.43000	2.0
71.04993	2.3
71.08643	0.9
77.89176	0.9
81.07050	3.6
83.08624	5.9
84.17854	0.9
85.02917	2.5
89.06024	1.9
97.10179	25.0
98.03017	1.2
98.21490	1.4
109.10165	34.7
111.11703	3.3
115.11219	17.3
120.08073	1.4
127.11204	100.0
129.12773	4.0
130.05032	1.0
141.91153	0.9
145.12256	16.5
145.72649	1.1
147.04402	1.3
158.87802	0.9
180.39905	1.2
215.16455	2.5
233.17526	24.4
310.68311	1.1
317.24744	1.1
368.24377	1.6
412.26782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.05515	8.9
57.03446	7.5
57.07076	6.4
59.04991	1.4
67.05515	8.8
69.06728	1.7
69.07072	19.2
70.42605	3.1
70.43000	2.0
71.04993	2.3
71.08643	0.9
77.89176	0.9
81.07050	3.6
83.08624	5.9
84.17854	0.9
85.02917	2.5
89.06024	1.9
97.10179	25.0
98.03017	1.2
98.21490	1.4
109.10165	34.7
111.11703	3.3
115.11219	17.3
120.08073	1.4
127.11204	100.0
129.12773	4.0
130.05032	1.0
141.91153	0.9
145.12256	16.5
145.72649	1.1
147.04402	1.3
158.87802	0.9
180.39905	1.2
215.16455	2.5
233.17526	24.4
310.68311	1.1
317.24744	1.1
368.24377	1.6
412.26782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05030	0.7
69.03426	0.4
69.92348	0.7
69.92749	1.1
70.06588	1.1
72.08137	0.3
74.06091	2.5
80.11225	0.3
86.09708	0.7
92.02443	0.3
98.20854	0.3
101.52763	0.3
102.05545	1.0
109.82884	0.3
119.03531	2.9
120.06580	8.9
136.06190	100.0
137.04594	1.2
162.04115	60.9
194.99486	0.4
233.04411	2.9
236.53070	0.3
251.05530	3.3
252.12344	0.5
256.46283	0.3
268.10400	0.8
281.09937	57.7
294.08450	0.5
358.07913	0.3
360.96298	0.3
413.14059	1.6
414.17526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1444
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
53.03940	1.3
53.63516	0.9
55.01882	1.1
55.05503	1.3
57.03423	2.5
60.49786	0.9
60.69823	0.9
61.02924	4.0
67.05506	1.4
69.03436	9.8
70.06574	1.3
73.02919	2.4
79.05474	1.2
81.03423	5.5
81.07066	4.4
85.02907	23.8
87.04480	1.7
89.30953	0.9
91.03945	1.1
91.05473	2.0
93.07035	1.7
95.08604	1.2
97.02911	8.7
99.04473	1.4
106.81659	0.9
109.02874	3.0
121.06477	1.3
127.03939	5.5
135.04408	1.0
139.03893	2.1
145.04971	4.0
145.10121	1.2
149.06070	1.6
155.03450	1.8
163.03920	6.0
169.04984	1.0
173.06013	2.0
177.09174	1.7
179.03418	3.4
181.04965	14.1
181.08495	1.2
186.08986	1.0
187.02348	1.1
187.07556	1.8
191.07076	3.6
197.04425	11.2
197.05965	0.9
205.08682	1.9
209.04495	2.9
209.08112	4.0
215.07040	3.3
223.09697	1.9
229.55824	1.0
233.08104	5.6
233.15326	1.4
251.09158	100.0
274.97241	1.0
313.06897	1.9
351.08707	1.1
413.12366	1.7
413.21628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1788
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
55.05500	0.2
61.85670	0.2
67.05531	0.4
69.03416	0.3
69.07064	0.3
70.06588	0.7
71.44345	0.4
81.07048	0.5
85.02943	0.3
93.07049	0.3
93.84097	0.3
95.08635	0.3
105.07027	0.4
107.08571	0.3
145.10161	0.3
151.52982	0.3
156.58302	0.3
173.24855	0.3
201.03772	0.4
233.11528	0.3
251.12706	3.4
251.16350	0.4
293.12405	0.6
413.17859	100.0
414.18143	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2174
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.03941	8.0
55.01860	4.3
55.05522	9.1
56.95875	1.7
57.03440	18.9
59.09317	2.1
59.72612	1.7
61.02940	2.3
65.03968	2.1
67.05191	2.8
67.05513	37.0
69.03438	36.2
69.07075	10.7
70.06577	3.2
71.05001	11.2
71.53167	2.8
73.02924	5.2
79.05498	22.1
81.03419	38.3
81.06590	3.4
81.07061	47.6
83.04988	12.2
83.08626	10.4
84.08136	3.1
85.02513	2.3
85.02912	23.6
85.06529	4.1
86.09722	2.4
91.05476	20.4
93.07047	30.3
95.04967	8.1
95.08610	19.0
97.02908	18.1
97.06512	9.4
99.04465	8.6
99.08097	3.6
101.02356	3.9
103.03966	3.7
103.05447	2.1
105.07058	12.1
107.04935	5.7
107.08616	16.6
109.02881	14.8
109.06504	5.2
109.10170	6.0
111.04456	5.4
111.08105	3.7
117.07033	6.8
119.08598	7.6
121.06489	3.5
121.10193	9.0
123.08053	2.1
123.11749	3.1
125.06001	2.1
127.03928	17.8
129.05487	5.5
131.08562	9.9
133.06448	3.3
133.10159	9.4
135.11705	8.0
141.07002	2.4
145.10176	2.7
147.11723	5.4
149.13286	21.1
159.11685	11.7
161.09689	2.2
163.03902	2.0
177.12770	6.4
179.14304	1.9
181.50128	2.0
183.06526	2.7
195.13847	18.9
197.84648	2.2
201.07600	4.1
213.14900	2.7
215.14377	1.9
219.56326	2.2
233.15442	2.6
251.09189	5.6
269.17526	15.0
297.17252	2.2
311.18750	2.6
339.17966	4.5
377.19650	2.7
395.20871	4.4
412.94711	4.7
413.21710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66259	1.8
53.03940	2.4
55.01872	3.2
55.05273	3.1
55.05513	36.9
57.03444	15.2
57.07077	35.4
63.37606	2.0
67.05515	15.8
69.03434	4.0
69.07069	48.8
70.97041	3.1
70.97350	2.5
71.04996	2.2
71.08638	19.4
79.05492	7.1
81.03387	2.9
81.07059	21.9
83.04990	4.9
83.08625	34.6
85.06543	2.7
85.10191	12.6
93.07052	11.3
95.08611	25.5
97.06532	5.9
97.09711	1.8
97.10186	18.3
100.11015	2.2
107.08578	7.7
109.10162	8.9
111.08166	3.1
111.11718	5.7
113.20419	1.9
115.07546	3.2
118.41133	1.9
121.10157	10.0
123.11723	3.9
125.09669	5.5
128.40508	1.7
129.09122	3.2
135.11691	10.1
137.13301	4.2
139.11211	5.3
149.13228	7.9
153.12759	4.1
153.42984	2.0
163.14813	2.5
243.40413	1.9
260.74054	2.2
303.30450	4.5
321.31415	10.1
387.80734	2.1
395.35199	13.9
413.21597	5.5
413.36304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1762
Annotation	Bruceolline N
Peak:m/z	Relative Intensity
53.03941	1.1
56.05048	3.6
57.03429	1.0
61.02905	1.8
67.05482	0.7
69.03432	4.2
70.06576	0.9
70.63645	1.0
70.63984	0.6
74.02453	2.9
74.02785	0.6
78.40920	0.4
81.03393	2.1
82.06579	2.5
82.92006	0.4
84.08130	0.7
85.02912	10.2
87.04455	0.6
91.03943	0.7
91.05489	0.5
97.02902	4.2
99.04434	0.9
104.79577	0.5
109.02899	1.3
109.06494	0.9
117.07016	1.0
121.06503	1.8
124.07599	7.2
125.05968	1.0
127.03938	2.8
128.07089	2.6
135.08023	1.8
136.09193	0.4
137.05986	24.6
139.26558	0.4
143.08556	0.6
145.04958	1.2
145.06487	1.0
145.10107	2.0
147.04448	0.9
147.08069	1.1
149.05984	1.7
151.07529	0.6
158.07245	1.4
161.06015	1.1
161.09618	2.1
163.03886	2.2
163.07553	14.7
163.11256	0.8
164.10774	1.0
171.08092	0.8
173.09627	6.4
179.10670	1.2
187.07562	1.6
188.10670	0.6
189.09126	5.6
190.12340	2.8
191.07091	0.8
191.10715	2.8
195.15355	0.6
201.39142	0.5
206.11780	24.5
208.13467	0.8
216.10258	3.5
217.08623	4.6
234.11267	15.8
235.09624	1.9
252.12331	100.0
253.12517	0.7
345.25717	0.5
396.16513	6.5
399.05594	0.5
414.17621	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.5
57.03436	0.9
61.02928	1.6
67.05504	1.0
69.03438	3.5
70.06602	4.5
71.04992	2.0
71.15454	1.6
72.08212	0.8
74.02450	1.5
74.41494	0.7
81.03447	1.2
81.11919	0.8
82.06536	0.9
84.04508	1.7
84.08151	1.7
85.02910	7.2
85.06559	0.9
86.09717	4.5
87.04459	1.1
88.03929	0.8
97.02917	3.2
109.02905	2.1
109.06525	1.1
113.06034	2.5
121.06496	1.1
124.07598	4.8
127.04044	1.2
128.07117	1.0
135.08063	1.1
136.06200	3.5
137.04951	1.3
137.05923	8.3
145.05020	1.1
147.04466	1.3
147.08112	0.9
158.07323	1.5
161.09619	1.8
163.03918	12.6
163.07556	6.2
165.05476	2.2
173.09656	3.3
181.05003	1.1
187.07593	10.2
189.09146	3.3
191.07048	5.3
198.09187	0.9
205.08572	1.2
206.11763	9.9
216.10211	22.8
217.08621	18.9
217.10619	1.5
234.11264	100.0
235.11627	1.1
244.12547	0.9
252.12320	40.1
282.10358	1.3
370.43390	0.8
396.16537	41.6
414.17715	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	414.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92413	0.6
55.05525	0.8
56.56379	0.6
57.10803	0.6
58.99584	1.0
67.05513	2.0
69.07068	1.8
76.02203	1.0
78.67354	0.7
79.05494	1.2
81.07069	1.3
81.78616	0.6
91.05474	1.4
93.07058	0.9
95.05002	0.8
95.08608	1.1
98.21499	2.3
105.07036	1.7
107.08613	1.3
119.08617	1.3
121.78709	0.7
122.02748	2.9
133.10167	2.0
135.08083	0.8
145.10156	1.1
159.11737	0.8
195.08067	0.7
219.08205	0.9
237.09192	0.8
237.12608	0.9
247.07681	0.9
250.06201	1.2
251.07065	7.0
257.19217	0.9
264.07840	1.1
271.90845	0.8
275.07043	1.5
275.20078	5.8
278.05841	6.3
291.06549	2.8
292.07327	20.5
293.08115	100.0
293.20932	3.4
294.08554	1.7
305.08432	0.8
306.08887	1.0
320.10477	1.3
331.27863	0.8
335.12814	84.4
336.13324	1.8
337.14294	0.9
353.13821	9.6
378.32129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	20.2
59.04985	5.9
61.02927	5.9
66.21657	2.1
69.03432	73.4
70.06585	8.7
73.02908	3.9
75.04495	2.1
79.05525	2.0
81.03416	5.4
83.05002	2.3
84.04514	3.0
84.08174	2.5
85.02908	100.0
85.10179	2.4
86.09699	10.1
87.04475	42.2
91.03956	5.4
93.06918	2.4
97.02893	74.4
99.04442	7.3
99.47041	2.0
109.02877	5.3
111.04505	2.6
111.37038	1.8
115.03932	79.7
119.08563	2.2
123.04462	2.9
127.03906	19.7
133.04968	95.5
133.10107	2.1
136.07617	2.9
139.03879	2.0
145.04958	44.8
150.07637	9.6
153.97682	2.3
163.05998	24.3
167.35535	2.1
175.06068	2.4
241.07018	6.0
259.08200	6.2
265.16422	5.6
275.38977	2.3
277.09186	6.5
277.51242	2.3
282.13318	4.4
295.10208	5.3
414.17444	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	414.2639
Annotation	Yesodine
Peak:m/z	Relative Intensity
53.03947	1.3
55.05494	2.1
57.03428	0.6
57.07070	1.1
59.05005	0.8
67.05498	4.4
68.05021	2.8
69.03410	1.8
69.07049	2.8
70.06597	35.8
71.04974	1.9
71.52801	1.2
72.08145	0.7
79.05505	4.7
80.05009	0.9
81.03407	0.8
81.07058	5.8
83.04980	2.7
83.08607	1.7
84.08124	2.3
84.97018	0.6
85.02904	1.6
85.06559	2.9
87.04467	1.2
91.05490	6.1
93.07047	8.3
94.06572	2.1
95.04947	2.3
95.08621	3.9
96.08129	3.8
97.06522	2.4
98.06070	1.1
99.08076	0.7
100.07619	10.1
105.07037	11.3
106.06580	0.8
107.04909	0.7
107.08607	7.6
108.08118	2.4
109.06531	5.5
109.10158	3.4
111.08008	0.9
114.05519	3.8
115.05505	0.7
116.07093	2.4
117.07036	3.0
119.08595	15.0
120.08128	4.6
121.06516	1.4
121.10120	3.2
122.09671	3.0
123.08080	1.8
123.10474	0.9
123.11720	0.7
125.09615	1.8
128.06265	1.0
128.07082	14.0
129.06995	2.4
130.07805	1.1
131.08563	8.2
133.10132	6.2
134.09686	1.8
135.08066	2.4
135.11691	1.0
136.11240	4.9
137.09619	2.6
140.07060	0.8
141.06963	1.6
142.07742	3.2
143.08572	9.5
144.09315	1.9
145.10130	12.8
146.09570	1.1
147.08037	1.8
147.11691	4.4
148.11179	4.2
149.09647	1.6
149.13268	0.8
153.01785	0.8
154.08618	2.1
155.08543	2.6
155.10646	1.0
156.09348	3.2
157.10126	11.5
158.10922	1.1
159.08060	1.8
159.11673	4.0
160.11195	1.3
161.09645	1.2
161.13252	1.3
162.12798	4.2
163.11154	1.7
164.07127	0.7
165.09138	3.8
166.08643	2.0
167.08594	1.9
168.10220	30.1
169.10158	2.3
170.10954	1.4
171.11688	6.4
172.12491	0.7
173.09676	0.8
173.13277	3.3
175.11182	3.7
177.08022	0.7
178.08638	5.4
179.08560	0.7
179.14240	0.8
181.10037	0.9
181.12254	1.5
182.10825	1.2
183.11684	4.3
185.09549	0.7
185.13269	3.0
186.12779	0.9
187.11142	0.7
190.15974	2.1
192.10178	2.6
193.09988	1.0
194.11835	5.0
195.11688	2.8
197.13216	4.0
199.11102	0.9
199.14743	3.6
199.98152	0.6
200.14230	0.8
203.14317	1.7
206.11684	0.8
207.11752	1.5
208.12546	1.4
209.13274	2.6
215.14354	2.4
221.13518	0.9
221.15396	14.2
222.74504	0.6
223.14810	3.1
225.12794	0.7
225.16396	0.8
226.15950	0.6
227.14438	0.7
230.11629	0.8
232.13278	1.0
234.14857	3.0
244.13371	0.7
246.14903	1.5
258.14844	1.2
265.19583	2.9
281.19128	1.0
298.18213	0.7
299.20062	2.2
300.19666	0.7
312.19559	0.9
313.20474	0.9
314.21109	0.8
323.08994	0.8
352.26257	0.8
356.22144	1.9
370.27438	5.5
387.69009	0.7
396.25574	3.2
414.26395	100.0
415.26859	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05494	2.1
57.03428	0.6
57.07070	1.1
59.05005	0.8
67.05498	4.4
68.05021	2.8
69.03410	1.8
69.07049	2.8
70.06597	35.8
71.04974	1.9
71.52801	1.2
72.08145	0.7
79.05505	4.7
80.05009	0.9
81.03407	0.8
81.07058	5.8
83.04980	2.7
83.08607	1.7
84.08124	2.3
84.97018	0.6
85.02904	1.6
85.06559	2.9
87.04467	1.2
91.05490	6.1
93.07047	8.3
94.06572	2.1
95.04947	2.3
95.08621	3.9
96.08129	3.8
97.06522	2.4
98.06070	1.1
99.08076	0.7
100.07619	10.1
105.07037	11.3
106.06580	0.8
107.04909	0.7
107.08607	7.6
108.08118	2.4
109.06531	5.5
109.10158	3.4
111.08008	0.9
114.05519	3.8
115.05505	0.7
116.07093	2.4
117.07036	3.0
119.08595	15.0
120.08128	4.6
121.06516	1.4
121.10120	3.2
122.09671	3.0
123.08080	1.8
123.10474	0.9
123.11720	0.7
125.09615	1.8
128.06265	1.0
128.07082	14.0
129.06995	2.4
130.07805	1.1
131.08563	8.2
133.10132	6.2
134.09686	1.8
135.08066	2.4
135.11691	1.0
136.11240	4.9
137.09619	2.6
140.07060	0.8
141.06963	1.6
142.07742	3.2
143.08572	9.5
144.09315	1.9
145.10130	12.8
146.09570	1.1
147.08037	1.8
147.11691	4.4
148.11179	4.2
149.09647	1.6
149.13268	0.8
153.01785	0.8
154.08618	2.1
155.08543	2.6
155.10646	1.0
156.09348	3.2
157.10126	11.5
158.10922	1.1
159.08060	1.8
159.11673	4.0
160.11195	1.3
161.09645	1.2
161.13252	1.3
162.12798	4.2
163.11154	1.7
164.07127	0.7
165.09138	3.8
166.08643	2.0
167.08594	1.9
168.10220	30.1
169.10158	2.3
170.10954	1.4
171.11688	6.4
172.12491	0.7
173.09676	0.8
173.13277	3.3
175.11182	3.7
177.08022	0.7
178.08638	5.4
179.08560	0.7
179.14240	0.8
181.10037	0.9
181.12254	1.5
182.10825	1.2
183.11684	4.3
185.09549	0.7
185.13269	3.0
186.12779	0.9
187.11142	0.7
190.15974	2.1
192.10178	2.6
193.09988	1.0
194.11835	5.0
195.11688	2.8
197.13216	4.0
199.11102	0.9
199.14743	3.6
199.98152	0.6
200.14230	0.8
203.14317	1.7
206.11684	0.8
207.11752	1.5
208.12546	1.4
209.13274	2.6
215.14354	2.4
221.13518	0.9
221.15396	14.2
222.74504	0.6
223.14810	3.1
225.12794	0.7
225.16396	0.8
226.15950	0.6
227.14438	0.7
230.11629	0.8
232.13278	1.0
234.14857	3.0
244.13371	0.7
246.14903	1.5
258.14844	1.2
265.19583	2.9
281.19128	1.0
298.18213	0.7
299.20062	2.2
300.19666	0.7
312.19559	0.9
313.20474	0.9
314.21109	0.8
323.08994	0.8
352.26257	0.8
356.22144	1.9
370.27438	5.5
387.69009	0.7
396.25574	3.2
414.26395	100.0
415.26859	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05509	3.1
57.03439	1.9
57.07069	1.9
60.17829	0.8
67.05497	4.5
68.05032	3.1
69.03441	4.3
69.07087	3.6
69.85287	4.4
70.06601	33.6
71.05001	1.7
79.05507	6.6
80.05021	1.0
81.03417	2.3
81.07074	7.0
82.07402	1.4
83.04998	3.6
83.08621	2.3
84.04497	1.0
84.08168	2.2
85.02896	1.8
85.06557	2.3
85.32227	0.8
87.04472	1.2
91.05485	9.0
93.07051	10.1
94.06592	2.1
95.04981	2.2
95.08622	4.4
96.08149	4.6
97.06541	1.7
98.06091	1.6
99.08097	1.0
100.07611	7.8
105.07049	13.7
107.08604	8.6
108.08141	2.3
108.08899	1.1
109.06533	3.6
109.10164	4.8
109.83290	0.8
114.05554	3.7
115.05527	1.0
116.07112	2.7
117.07027	3.6
119.08595	16.3
120.08080	4.3
121.06493	1.6
121.10151	5.3
122.09695	3.8
123.08074	3.0
128.06238	1.7
128.07083	11.7
129.07028	3.1
130.07797	1.7
131.08582	8.7
133.10147	5.4
134.09703	2.4
135.08072	2.6
135.11667	1.4
135.42888	0.9
136.11261	3.4
137.09633	2.9
141.06949	1.6
142.07797	3.4
143.08536	6.4
144.09334	1.3
145.10144	13.3
147.08028	2.4
147.10594	0.9
147.11720	3.9
148.11273	4.0
149.09679	2.1
154.08652	1.7
155.08575	2.2
155.10651	0.9
156.09373	3.9
157.10153	10.7
158.10890	1.4
159.08119	1.0
159.11734	3.9
160.11105	1.2
161.13274	1.4
162.12805	3.5
163.11198	2.2
165.09113	4.1
166.08754	1.6
168.10229	25.6
169.10199	2.1
171.11711	6.1
173.13295	2.5
175.11269	3.4
178.08670	5.1
181.12343	1.8
182.10928	1.1
183.11787	3.9
185.13280	2.9
187.14902	1.6
190.16011	2.0
192.10249	2.5
194.11896	4.6
195.11812	1.5
195.13683	1.0
197.13351	3.8
199.14891	2.1
203.14409	3.0
206.11888	1.5
207.13898	1.2
209.13319	2.1
211.14856	1.0
215.14395	2.9
221.13390	1.0
221.15367	18.4
221.17325	1.3
223.14899	3.7
232.13478	1.8
234.15051	3.1
239.17982	1.1
244.13377	1.1
246.14871	1.9
258.15082	1.3
265.19577	3.1
299.20129	1.6
301.21530	1.6
356.22238	2.5
370.27618	5.4
396.25452	3.1
399.74304	1.0
414.26480	100.0
415.26724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01868	0.6
55.16952	0.5
57.03416	1.6
59.24116	0.5
61.02923	2.9
69.03090	0.8
69.03430	9.9
69.34325	3.7
70.06592	4.1
71.01299	0.7
71.04967	1.0
73.02895	1.5
75.11930	0.5
81.03416	3.7
85.02908	16.9
87.04456	2.4
91.03924	0.6
95.04954	1.6
97.02893	7.9
99.04444	1.7
105.34602	0.6
107.04935	1.5
109.02874	2.5
110.82210	0.5
111.41735	0.5
113.02399	0.6
117.07018	1.2
127.03895	3.7
131.04880	1.4
135.04388	1.2
139.03867	1.2
145.05008	1.4
145.06448	2.6
149.05946	0.8
155.04845	0.7
159.04387	2.1
163.03960	0.8
163.07539	0.9
167.07005	3.4
173.05989	3.1
177.05461	4.7
181.04933	1.2
183.04468	0.6
191.07051	4.3
193.04935	0.8
195.06543	9.5
197.04428	0.7
201.05486	4.1
207.06627	0.8
209.04442	0.8
209.08138	4.4
212.09181	0.7
218.08113	0.8
219.06529	14.3
219.08603	0.9
225.07642	2.0
237.07578	71.6
238.07939	1.1
241.31111	0.5
254.10245	87.2
255.10599	1.1
284.06009	0.5
337.97153	0.6
399.12909	1.5
416.15518	100.0
417.15863	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	416.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01869	1.0
57.03437	2.1
57.97790	0.7
59.05000	0.9
59.92233	0.6
61.02942	3.5
69.03089	0.8
69.03438	10.9
70.06593	4.2
70.12153	0.7
71.04992	1.3
71.16944	1.2
72.08128	0.7
73.02919	1.6
79.05513	0.9
81.03415	3.5
85.02911	19.7
86.09699	3.0
87.04473	2.5
91.03983	1.1
95.04950	2.0
97.02907	8.0
98.09671	0.8
99.04446	1.6
107.04943	1.6
109.02888	2.0
113.02364	0.9
117.07003	0.9
118.51045	0.6
121.06547	0.7
127.03107	0.6
127.03928	4.3
131.04980	1.0
135.04440	1.0
138.12804	1.1
139.03943	1.0
140.77356	0.7
143.11902	0.9
145.05066	0.8
145.06490	1.7
149.05995	0.9
155.04913	0.7
159.04424	2.4
163.03871	1.1
163.07610	1.5
167.03484	1.1
167.07063	3.2
173.05978	2.4
177.05504	5.5
179.03490	0.9
181.05002	2.1
191.06992	4.6
193.04929	1.0
195.06589	8.6
196.66096	0.7
197.04492	1.1
201.05441	4.3
207.06573	1.1
209.04597	1.6
209.08096	5.5
211.06093	0.8
218.08174	0.8
219.06546	16.2
219.08620	1.2
224.06897	0.8
225.07594	2.3
236.09149	1.1
237.07590	79.8
238.08023	1.0
254.10254	87.9
255.10753	1.1
314.16025	0.8
368.69617	0.7
399.12830	1.3
416.15527	100.0
417.15826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05499	1.6
56.05016	2.0
58.99587	9.7
61.02919	1.2
64.61745	1.3
65.03934	1.7
67.04240	1.6
67.05490	3.5
69.03429	2.2
70.06588	3.1
70.13874	4.1
70.35644	1.3
72.08143	4.8
76.02231	53.6
76.04001	4.2
80.04990	2.9
81.43289	1.2
82.06590	8.2
82.06992	1.6
83.06122	1.8
84.04507	33.8
84.08131	3.9
85.02889	4.8
85.04009	1.6
86.09706	3.3
86.99046	2.6
88.02184	1.9
97.02888	2.1
98.97591	1.3
109.07613	1.5
110.06052	100.0
111.04388	1.3
112.07594	3.7
114.03783	2.9
116.01677	15.4
116.07087	1.5
123.04432	1.5
126.03719	2.9
127.12329	2.9
129.06540	2.2
130.05016	15.2
131.04543	1.6
136.07593	1.3
140.01645	1.4
140.05312	10.3
142.03229	26.6
142.05008	1.2
144.01155	9.5
147.04405	2.8
153.06541	1.4
162.02208	28.1
163.03911	2.7
168.04832	7.3
170.02727	2.6
177.03337	7.8
179.04863	60.9
185.03873	6.8
185.07446	2.7
187.05293	3.1
196.04317	1.8
197.07478	1.2
199.14420	1.6
215.04854	2.0
218.74849	1.1
231.04346	25.0
233.05933	12.2
243.08008	11.2
245.05928	3.4
251.08650	6.7
255.16003	1.6
266.41293	1.4
279.07956	5.7
285.11172	1.4
288.06860	1.4
288.10126	32.4
291.06461	3.2
306.07285	1.3
308.09125	52.1
342.11288	2.4
354.11023	3.2
417.14426	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	417.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44604	0.4
55.05516	2.5
55.05719	0.4
57.03438	2.4
57.07069	0.6
57.41903	0.5
64.34618	0.5
65.03945	0.6
67.05508	10.5
68.05042	0.5
69.03415	1.5
69.07059	1.9
69.14930	2.4
69.15350	2.2
71.05011	2.6
79.05501	0.7
81.03403	0.5
81.07060	1.0
84.04489	2.2
84.08149	18.7
85.02441	0.7
85.02912	9.9
85.06550	1.5
86.09696	4.0
87.04460	1.7
91.05428	0.7
94.06554	0.5
95.01323	1.0
95.04976	13.0
96.08144	1.2
102.05540	1.6
106.06566	1.0
107.08596	0.6
108.08122	2.0
110.06063	1.0
112.03926	0.5
112.07612	4.3
113.02356	1.5
113.06013	25.3
115.03999	0.6
118.06541	5.0
118.07992	0.4
121.08894	1.5
122.09666	1.8
123.08091	0.9
123.11720	0.5
124.07589	2.3
130.05013	14.5
131.03430	0.9
132.08029	2.4
133.08900	1.4
134.09642	0.9
141.09076	0.9
146.09639	2.3
150.09152	3.1
152.10716	1.4
154.12263	1.7
160.07605	1.5
167.07019	1.1
168.10217	1.4
169.08539	0.9
170.11783	0.8
176.14359	100.0
177.14725	0.9
178.08638	1.1
181.05064	0.6
193.57440	0.4
196.09705	51.0
198.11269	31.7
202.15880	3.1
216.13829	0.9
224.09203	1.9
242.10246	56.8
243.10674	0.6
246.54866	0.5
255.69720	0.4
288.12738	0.7
288.15988	12.6
306.16986	1.3
373.24939	3.7
417.23874	52.1
418.24380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92174	0.5
51.89933	0.6
53.03937	0.9
55.01867	2.0
57.82800	0.5
67.05508	1.2
69.03442	1.0
70.06595	19.2
70.22874	1.2
70.23257	0.9
72.08149	1.2
77.03928	0.9
79.05496	0.6
81.03441	0.9
84.08157	1.0
85.02902	1.8
86.09702	1.7
91.05491	1.0
95.04959	1.6
97.02898	1.2
102.95451	0.5
105.03457	0.8
106.57771	0.5
107.04962	0.6
109.02872	1.6
111.04441	0.7
116.07097	37.3
118.23853	0.5
119.04945	4.3
123.04434	29.7
127.03906	0.8
132.15408	0.5
135.03555	0.5
135.04373	2.6
136.07594	1.2
137.02287	0.7
137.08032	0.7
139.03903	11.6
143.04921	0.7
147.04410	15.2
147.05531	0.9
149.00552	2.4
151.03909	78.7
153.05444	2.7
161.05983	2.2
163.03938	5.8
165.05486	9.0
167.07022	0.7
171.23407	0.5
173.06009	3.3
175.03931	0.8
179.03477	0.8
179.07039	0.9
181.04929	5.4
189.05420	0.9
193.04929	4.4
207.06604	3.2
215.07018	1.1
217.08571	1.6
239.03630	1.0
239.07100	0.7
256.06293	1.0
257.08215	0.7
267.06549	0.8
285.07605	2.9
303.08636	100.0
304.09061	1.2
327.08783	1.3
418.15402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05479	0.5
55.62872	0.4
56.91005	0.4
57.03420	0.5
58.99590	1.4
60.31016	0.4
67.05515	0.9
68.99796	0.8
69.03424	1.1
69.07057	0.6
70.06596	7.1
71.15025	0.5
71.15369	0.7
72.08150	1.3
72.16457	0.4
76.02235	6.5
76.03993	0.8
79.05492	1.3
81.03408	0.9
84.04507	3.5
84.08154	1.0
85.02890	1.0
86.09719	2.7
88.35837	0.4
90.05559	3.3
91.05482	0.8
95.04980	1.1
97.02904	0.7
97.06541	5.2
98.09730	0.6
98.45596	0.5
107.04995	0.5
109.02890	1.5
111.04446	1.1
114.02029	0.4
116.01671	2.1
116.07103	9.0
116.66830	0.5
117.07034	2.5
119.04958	4.3
121.02876	1.1
123.04440	31.1
127.03888	0.6
130.04980	1.5
135.04402	2.8
137.02312	0.5
137.06020	0.5
139.03909	13.4
142.03256	0.7
144.01147	2.1
147.04419	16.7
151.03914	52.6
153.05478	2.3
161.06049	2.4
163.03889	5.5
165.05507	9.0
165.06870	0.8
167.01701	0.5
169.06447	0.7
173.05983	4.0
175.03955	1.0
175.07474	0.6
176.03752	2.3
177.05498	0.7
179.03424	1.1
179.07047	1.1
181.04970	6.4
189.05495	0.8
193.04956	4.1
193.06467	5.7
197.06143	0.8
207.06528	3.7
215.06984	1.2
217.08623	1.4
233.05949	2.5
243.06641	1.0
261.07495	0.5
285.07700	2.6
303.08655	100.0
304.09039	1.1
322.10712	1.6
418.15201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30956	3.3
71.08613	0.4
73.06551	1.0
84.08146	0.5
91.05489	0.7
93.07050	1.2
103.05477	6.0
105.91003	0.4
107.04961	1.4
115.32825	0.4
118.69884	0.5
120.08114	100.0
121.08477	0.6
131.04915	2.8
149.05992	2.5
161.33990	0.5
166.08653	55.8
223.87764	0.5
239.13989	0.7
240.74928	0.4
245.43736	0.5
265.15381	0.5
399.98642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55643	0.3
57.06836	0.3
57.07087	5.0
58.06601	1.9
63.21896	0.3
67.05490	0.4
68.05018	0.4
69.07082	0.4
69.48624	1.3
69.49037	0.9
70.06599	15.7
71.08637	1.7
72.08134	1.7
81.07103	0.4
84.08145	1.4
85.10177	0.8
86.09718	2.7
88.07626	3.7
89.06020	0.5
91.05479	0.4
93.07004	0.4
102.09198	1.5
114.09142	0.5
125.07861	0.4
132.10216	7.9
146.11769	8.6
151.32657	0.3
168.24834	0.4
176.54594	0.3
184.07388	0.4
213.28233	0.3
268.30045	2.0
287.05432	0.8
294.31519	1.4
312.32654	5.9
356.35248	40.3
357.35501	0.4
400.37958	0.5
418.38940	100.0
419.39294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.02512	0.1
57.03454	0.6
61.02654	0.1
61.02930	1.7
68.99811	0.4
69.03418	0.5
70.06484	0.5
71.01347	0.5
73.02920	12.6
77.58622	0.1
79.05484	0.1
85.02892	0.4
87.04472	0.1
97.02898	0.2
98.21503	0.1
102.19010	0.1
105.03365	0.3
107.04955	0.3
109.02863	0.2
111.00815	0.6
115.03947	0.9
115.59699	0.1
121.02872	2.5
121.03776	0.2
129.07040	0.1
133.02855	0.5
135.04427	0.2
137.02356	0.9
137.22202	0.1
141.06947	0.2
141.77730	0.1
145.06487	0.2
147.04382	0.7
153.01836	3.7
154.88371	0.1
157.06485	0.5
161.05972	0.3
165.01831	2.0
171.04404	0.2
183.02888	0.9
185.06041	0.7
189.05447	0.1
203.07118	0.1
204.90082	0.1
213.05473	1.4
214.93425	0.1
224.54366	0.1
229.05022	0.2
231.06490	0.5
241.04924	0.8
243.06581	0.2
258.05258	1.0
259.06024	0.5
269.04492	0.1
287.05499	100.0
288.05811	1.5
299.05099	0.1
319.75644	0.1
342.90048	0.1
353.06552	0.1
377.35849	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	419.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01863	1.8
57.03419	3.2
61.02927	5.3
63.43382	0.9
69.03095	0.9
69.03432	9.9
69.30301	2.2
69.30711	5.2
71.01350	1.2
71.04989	1.4
72.30943	0.9
73.02921	13.7
77.47566	0.8
79.05483	1.2
81.03426	4.1
81.07048	2.1
83.01324	1.2
85.02909	27.7
86.09698	1.6
91.03922	2.4
91.05437	1.1
91.89012	0.8
97.02899	8.9
99.04433	2.4
104.10719	1.1
104.58451	0.8
108.83049	0.8
109.02863	3.6
110.81443	0.9
119.04967	1.1
121.02882	2.0
123.04419	4.7
124.99984	1.0
127.03909	5.1
133.02806	1.4
137.02322	2.7
145.04962	5.5
145.06596	1.1
145.62535	0.9
147.04424	4.2
149.02359	1.5
151.03932	6.6
153.01828	3.3
163.03935	2.3
165.01839	2.3
167.03398	1.7
169.04974	9.1
173.02408	1.2
179.03395	16.8
183.02980	1.0
184.07420	1.2
185.04465	6.6
191.03372	2.5
193.04961	4.3
197.04456	77.2
198.04712	1.4
203.03406	4.0
209.02612	1.3
209.04469	16.7
213.05634	1.2
221.04469	16.1
224.61366	0.9
225.03903	12.3
231.06509	1.2
239.05510	52.2
257.03790	2.2
257.06525	60.4
287.05508	100.0
288.05746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1187
Annotation	Citrifolinin B epimer b
Peak:m/z	Relative Intensity
53.03947	2.0
55.01877	1.5
55.05513	1.0
57.03434	3.1
59.13521	1.0
61.02930	6.2
67.05484	1.1
69.03437	11.3
69.07074	1.7
70.06578	1.1
70.41391	1.8
70.41765	3.3
71.05000	2.0
71.08631	1.3
73.02922	13.9
81.03426	5.4
81.07065	1.9
83.04994	1.3
85.02912	30.3
86.06047	1.0
86.09679	1.5
87.04477	2.3
91.05495	1.5
97.02902	10.3
98.09704	1.2
98.21414	1.4
99.04425	2.0
102.00238	1.0
102.26881	1.1
104.10783	1.3
109.02880	2.1
115.03918	1.8
119.08574	1.7
121.02887	2.4
123.04457	5.5
127.03920	5.9
135.04431	1.4
137.02344	1.9
143.08572	1.2
145.04973	4.7
147.04417	3.6
149.02408	1.6
151.03897	6.4
153.01814	2.1
161.32571	1.1
165.01842	2.1
167.03371	2.6
169.05006	10.2
173.02437	1.1
175.03928	1.6
179.03400	15.8
184.07430	2.7
185.04475	7.6
191.03380	4.1
193.04990	4.6
197.04472	81.6
203.03430	4.7
209.04472	19.3
221.04478	16.6
223.06009	2.0
225.03984	13.5
239.05513	53.3
257.03784	2.1
257.06540	66.3
287.05530	100.0
293.49298	1.2
377.15128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	1.0
56.05018	0.3
57.03444	2.2
61.02933	4.4
62.06089	0.5
62.20839	0.3
67.01870	0.9
69.03434	7.4
69.71175	1.6
70.06573	1.3
71.04984	1.6
72.08135	1.0
73.02908	1.3
74.06034	0.4
76.02219	1.2
81.03427	3.7
83.01333	1.6
84.04498	1.3
84.08147	0.9
85.02911	28.9
86.09713	1.6
87.04473	1.5
87.10006	0.4
91.03965	2.2
95.04956	1.5
97.02301	0.6
97.02898	10.0
97.06554	0.4
99.04449	2.1
105.03337	0.4
109.02877	2.7
110.07257	0.5
119.08683	0.4
120.08119	0.4
123.04424	3.4
127.03927	6.6
136.50360	0.4
137.09569	0.4
141.08974	0.5
145.04968	9.7
147.04388	0.4
147.08025	1.4
151.03903	5.6
154.06837	0.8
157.41997	0.4
161.02304	0.4
163.11336	0.4
169.04980	9.1
179.01830	0.7
179.03406	13.3
197.04465	100.0
197.44461	0.4
198.04800	0.5
211.13292	0.7
223.13167	0.6
233.06023	0.4
255.07986	0.6
273.09143	1.0
285.70270	0.4
359.09747	13.3
359.14200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33242	0.7
55.01862	2.0
55.05502	1.5
56.05035	6.1
57.03426	1.6
58.99585	12.0
63.65637	0.7
68.05020	1.9
69.07070	1.3
70.02946	1.4
70.96542	1.5
73.01129	2.1
74.00651	2.2
76.01837	1.3
76.02232	16.9
79.05480	2.4
80.05036	1.1
81.06596	1.0
81.07057	16.2
83.06129	1.7
83.08595	0.9
83.13169	0.6
84.04504	17.0
85.01121	3.2
85.02888	1.0
86.00654	4.6
86.99054	6.4
87.02686	4.3
88.02199	1.9
90.05562	7.0
93.07050	0.8
94.06549	1.0
95.08618	3.8
96.08130	1.1
97.01122	1.4
97.06525	2.3
98.09699	11.1
99.08095	3.1
105.07028	2.1
110.09669	1.6
112.03977	4.2
112.92691	0.7
113.04242	4.9
114.03751	1.4
115.05807	1.6
116.01679	23.9
116.07095	6.5
122.09662	1.9
123.08070	1.6
126.05489	0.7
127.05768	1.4
128.57797	0.8
129.06572	4.2
129.07355	1.5
130.03232	0.8
130.05040	3.5
130.06856	2.7
130.11266	0.8
133.52939	0.8
139.05782	2.0
142.03217	2.9
144.00122	1.2
144.01147	14.0
144.06580	4.7
144.10211	2.4
145.06804	0.8
153.06543	0.9
156.08430	21.3
157.06839	9.5
159.07672	0.9
170.11766	15.8
174.09508	13.5
176.02271	0.7
176.03767	14.7
193.06429	6.9
203.04779	1.1
210.11299	3.3
213.10672	0.7
215.04774	1.0
223.13332	1.5
230.08453	3.4
233.05870	2.2
256.09897	1.5
259.07480	1.1
273.12674	100.0
274.13242	1.5
285.12610	2.9
291.13605	1.3
303.23447	0.8
303.47928	0.8
313.12106	4.4
322.10675	1.0
331.13284	5.3
402.17010	2.1
420.17963	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17122	2.5
53.03946	2.4
57.03437	19.4
59.05008	6.9
60.04512	2.1
65.03935	4.3
69.03432	76.2
69.44968	11.2
69.45376	3.7
73.02913	5.1
76.02252	2.8
81.03419	3.6
85.02909	53.7
87.04471	49.8
91.05487	100.0
97.02898	70.7
107.04951	8.9
108.57016	1.8
109.02882	2.5
115.03935	87.2
117.05553	2.5
123.08044	2.4
127.03913	7.9
133.04970	95.0
133.06482	3.9
145.04973	11.6
150.07574	12.2
161.04485	4.6
163.06047	4.0
163.11101	2.8
169.05014	2.5
171.08037	2.6
185.81487	2.1
205.08667	3.0
217.08606	2.5
223.06296	2.2
223.09674	9.8
235.09689	3.3
241.07066	3.8
246.84589	2.1
253.10696	3.3
259.08267	4.5
273.12866	10.7
277.09171	2.3
295.10318	3.4
440.68573	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
55.05509	10.7
56.26646	2.4
56.65553	2.3
57.68430	2.6
61.02922	4.3
61.33173	2.5
67.05512	5.7
68.04993	2.5
69.03415	12.8
69.07076	3.4
69.37589	19.4
70.06590	5.4
71.04999	61.9
71.19672	2.8
72.08156	8.2
76.02218	3.9
79.05504	11.8
80.58332	2.4
81.03422	8.5
81.07066	21.5
83.04987	14.7
83.08620	10.9
84.04514	17.5
84.08154	5.9
85.02918	21.6
85.06548	3.6
86.09711	7.8
91.05490	8.1
93.07061	19.2
94.59547	3.0
95.04989	6.8
95.08607	9.4
97.02895	14.5
99.04482	9.1
100.11313	3.2
101.06016	6.3
102.05534	3.5
105.07038	8.8
105.26631	2.4
107.08602	35.0
109.06564	8.0
109.10155	5.8
113.09652	24.3
114.05541	5.5
116.01694	7.3
116.07120	3.6
119.08587	27.9
120.08115	8.0
121.02887	2.8
121.06485	18.5
121.10133	15.7
123.08091	22.2
125.09632	16.7
127.03918	5.6
130.04994	6.5
131.08566	5.6
133.10127	4.6
135.08089	7.9
135.11731	14.7
136.07652	3.7
137.09613	5.7
142.05060	11.1
145.10095	16.5
147.04419	3.9
147.08081	25.0
149.02370	3.5
149.09624	5.4
153.06641	2.8
156.08427	4.3
159.11711	9.6
161.13229	3.7
162.02240	3.4
163.11206	43.0
164.16988	2.8
165.09119	35.9
168.06523	3.1
176.03860	3.2
177.12794	6.3
179.04913	3.5
181.12250	18.6
183.10004	2.5
187.11212	7.0
191.10693	3.0
195.46603	2.6
205.12238	33.7
210.11287	28.8
223.13315	100.0
238.30627	2.8
241.14354	8.1
247.13382	9.7
259.10959	3.0
273.12738	16.7
313.11981	7.7
314.12201	3.8
365.11005	2.5
367.17450	4.4
373.13959	3.1
388.15445	20.2
420.15018	3.7
442.60828	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	420.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.0
57.07076	4.9
58.06597	1.5
62.44383	0.8
68.51575	0.8
69.07040	1.0
70.06595	10.9
71.08641	2.2
71.52384	0.9
79.05505	1.1
81.07040	1.1
85.02898	0.9
88.07640	17.6
90.33982	0.8
91.05489	4.9
102.09188	12.5
119.04917	1.5
147.04422	59.2
147.05470	3.0
191.07047	77.4
212.23511	0.9
219.06529	0.8
256.26373	40.8
415.85626	0.9
420.31146	100.0
421.31461	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.02481	1.6
51.98425	1.7
53.03937	3.8
53.71257	1.7
55.01863	6.2
55.05517	26.5
56.96548	5.0
57.03429	8.5
59.05002	2.5
61.02922	10.3
65.03916	2.6
67.05510	61.7
69.03429	8.9
69.07072	12.0
71.04996	3.8
71.52405	2.7
73.02904	8.1
73.03256	1.9
79.05496	40.8
81.03429	18.5
81.07063	33.1
83.04974	7.7
83.08629	13.5
85.02894	8.5
85.06545	2.8
91.03957	5.7
91.04904	2.3
91.05485	48.1
93.07043	30.0
95.04973	56.3
95.08604	26.1
97.02893	5.4
97.06516	5.7
97.10164	18.0
98.97586	2.5
101.02396	2.0
105.07040	23.5
107.04951	22.0
107.08585	15.6
109.06504	7.9
109.10159	24.0
111.08086	4.2
117.07018	16.0
119.04964	3.8
119.08611	17.6
121.06506	22.9
121.10172	10.4
123.08058	8.0
125.09614	10.7
128.06235	2.4
129.06972	9.9
130.07770	2.5
131.04944	3.5
131.08565	18.6
133.06483	6.2
133.10127	12.1
135.04384	3.8
135.08057	6.6
135.11674	3.9
137.09634	6.1
141.06987	4.2
143.08578	11.2
145.06482	5.7
145.10136	15.3
147.08037	9.6
147.11700	4.8
149.09598	3.1
153.09109	2.6
155.08617	4.5
155.10651	2.7
157.06487	2.9
157.10150	13.4
159.11725	11.3
161.09656	7.4
163.11171	9.1
165.82358	2.0
169.10149	3.6
171.08044	3.3
171.11642	4.4
173.09653	3.3
173.11736	5.1
173.13152	3.1
175.11230	8.0
176.14368	3.2
177.12767	5.0
183.11664	4.5
185.09595	6.0
185.13257	3.8
187.11235	4.5
189.09109	7.7
189.11211	6.1
189.12810	3.4
193.12291	8.6
195.11739	2.2
197.13287	4.4
199.11128	3.3
203.10724	7.8
203.12691	3.8
203.14450	3.4
205.12296	4.9
207.13922	2.3
213.12772	2.7
217.12250	3.2
223.13249	4.9
231.11560	2.5
231.13835	5.5
249.14857	11.2
259.12778	3.6
287.16382	1.9
301.21616	6.2
311.20041	14.4
329.21112	91.2
331.14868	3.7
340.15326	23.5
340.18945	1.8
340.65485	4.1
347.22202	16.8
347.84531	2.0
367.22714	2.9
377.23325	2.6
385.23706	6.6
403.24817	62.2
404.25076	2.2
412.17584	3.3
421.18057	16.1
421.25858	100.0
421.68085	5.9
422.18735	2.3
441.04623	2.1
443.20969	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	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79937	2.2
55.01876	6.8
55.05513	11.3
57.03443	10.0
57.07077	27.4
67.05505	13.0
69.07087	8.6
69.31346	2.0
70.06593	5.7
71.05003	4.1
79.05481	10.4
80.73728	2.0
81.03419	2.7
81.07055	22.8
83.04996	4.7
83.08628	3.1
85.06555	13.3
86.98213	1.9
88.07659	4.0
91.05495	9.0
93.07047	16.5
95.04982	6.6
95.08610	16.0
95.36436	2.3
97.02861	2.5
97.06561	6.2
97.10213	3.7
97.32436	1.9
102.09236	2.5
105.07061	7.9
107.04984	2.7
107.08595	13.9
109.06515	17.4
109.10183	7.4
111.08150	2.1
117.07073	3.8
119.08624	9.2
121.10178	8.5
123.08093	7.7
125.06039	2.9
129.07098	2.7
131.08553	3.2
133.10162	4.4
135.08078	28.7
135.11664	3.3
137.06003	16.9
139.42857	2.4
143.08640	2.2
145.10182	5.2
147.08069	3.5
147.11711	5.0
149.02409	7.7
149.09639	5.9
151.07600	7.1
151.11217	3.9
153.12810	2.4
157.10130	3.4
159.11789	6.4
162.03096	10.8
165.09253	3.1
165.12811	7.2
171.11693	2.3
175.11241	2.2
177.12857	6.8
179.14285	3.3
184.04503	11.3
189.12759	2.8
193.05099	6.5
193.12300	3.8
206.05888	8.7
207.13847	3.7
228.23265	5.1
233.19107	3.9
256.26590	5.0
257.56378	2.3
263.20239	5.8
292.64963	2.4
305.24872	2.5
306.66385	5.1
319.26563	9.9
320.67944	3.9
329.21243	8.0
329.24969	8.1
337.27325	4.2
347.21991	3.2
347.25815	81.3
359.84726	2.3
365.26932	17.8
385.09412	6.9
393.30096	6.8
403.24756	4.1
415.85666	2.4
421.29504	100.0
421.78616	7.5
422.29367	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01634	1.6
55.01876	23.5
56.05027	1.8
58.99587	7.6
61.65693	0.8
69.07072	24.7
69.35040	3.5
69.35472	4.2
70.06586	7.6
72.08151	1.7
73.01139	0.9
73.06562	2.5
74.00665	5.9
76.02243	5.9
76.04002	3.5
79.05469	1.3
81.07052	1.9
83.06137	2.0
84.04507	24.9
84.08142	2.9
85.02900	1.6
85.04028	1.3
86.09686	1.7
86.99060	5.6
87.02686	2.1
88.02212	2.5
91.05479	1.0
92.01714	2.0
93.07028	1.2
97.06535	100.0
98.20772	1.2
99.04471	1.0
99.05585	2.8
102.00101	1.4
102.05541	1.3
112.03977	1.0
114.09191	0.9
115.07575	3.8
116.00896	1.7
116.01685	29.5
122.72795	0.8
127.03991	1.0
127.05795	6.1
129.06596	6.2
130.05006	8.3
130.06854	3.5
131.04491	1.4
136.07530	1.2
142.03235	1.1
144.01143	13.6
145.06093	2.6
147.04388	1.7
149.07463	0.9
153.06610	2.2
155.05247	3.2
156.08440	0.9
162.02213	32.7
172.07921	15.3
173.06375	1.4
177.03325	5.5
178.09891	1.1
179.04773	1.0
181.08598	1.3
188.19630	0.9
190.08971	31.2
199.07256	1.1
200.07446	5.4
207.13728	1.3
209.11722	2.9
227.11887	1.1
253.97026	0.9
255.11301	4.0
258.07990	25.0
259.11179	2.0
275.10629	3.4
276.09012	31.3
283.10831	1.1
293.11655	40.0
301.11951	6.9
306.07657	2.7
326.74268	1.0
347.12714	13.3
381.02563	1.0
404.14828	1.6
422.15912	6.6
423.16287	1.2
430.93100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	25.3
55.05519	1.5
58.99592	7.9
60.04533	1.3
61.01143	1.5
67.05484	1.2
69.03437	1.6
69.07069	24.9
70.06591	11.5
72.04510	1.6
72.08162	6.2
73.02892	1.2
73.06545	3.7
74.00661	5.6
76.02237	7.7
76.04006	4.2
78.03775	2.6
79.05508	1.9
79.20681	1.1
80.91635	1.0
81.03401	1.8
81.07057	2.5
83.06123	2.3
84.04508	25.8
84.08132	3.7
84.92838	0.9
85.02895	3.8
85.04050	2.5
86.06155	1.1
86.09702	3.0
86.99052	7.2
87.02699	2.0
88.02191	2.2
91.05469	2.4
92.01711	2.1
93.07038	4.1
95.04977	1.6
95.08605	2.6
97.02910	1.4
97.06530	100.0
98.09673	1.5
99.04454	2.0
99.05566	2.6
102.00106	2.4
102.03758	3.1
103.03930	1.5
105.07011	1.2
107.08569	2.3
109.06564	1.1
112.03970	2.2
114.05518	1.0
114.75628	1.3
115.07578	4.2
116.01676	28.2
119.08541	2.3
120.08089	2.2
121.10145	2.1
123.11762	1.2
126.05516	2.4
127.03908	1.5
127.05794	6.8
129.06628	5.6
130.04996	13.0
130.06870	3.4
131.04529	2.0
132.04791	1.9
135.08069	1.7
136.07570	1.6
144.01144	15.8
145.06082	3.9
145.10132	2.6
147.04422	1.6
147.08025	2.1
149.07448	5.6
151.07561	1.8
153.06619	3.1
155.05255	2.5
156.06511	1.3
157.06671	1.0
162.02208	32.1
163.07587	2.0
171.11736	1.6
172.07915	15.4
174.09492	1.4
176.08347	3.1
177.03294	13.4
177.09108	1.2
178.09889	9.4
179.04753	2.6
179.10603	1.5
180.06535	1.4
181.06181	1.5
181.08592	5.7
184.97249	1.0
187.05377	1.6
189.12819	1.2
190.08978	33.2
194.09576	1.1
195.04356	1.3
195.10213	1.8
200.07402	7.1
207.10123	3.3
207.13641	2.0
209.11754	16.1
225.11287	2.3
225.14850	3.5
229.22600	1.0
255.11256	2.5
257.09412	1.7
258.07959	25.6
259.08511	1.0
259.11130	5.1
259.13559	1.0
260.11487	1.3
261.03876	1.7
274.10538	1.3
275.10574	7.4
276.09018	29.1
288.06384	1.6
293.11658	54.9
301.11911	3.0
305.01215	1.8
306.07501	3.8
333.00385	1.4
347.12680	12.3
405.16846	3.0
422.15903	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	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80912	0.4
57.03431	0.7
69.03433	1.3
70.98061	0.4
70.98424	0.5
81.03413	0.5
85.02912	2.6
91.05484	0.4
93.56198	0.4
97.02910	0.8
105.07001	0.5
107.04907	0.3
109.02879	0.4
121.06513	0.7
135.04372	0.4
136.05199	0.7
137.05972	1.1
138.06760	1.1
143.68552	0.4
144.51472	0.4
145.04962	0.5
148.05196	5.0
149.06000	0.6
161.05972	0.4
163.07532	0.7
164.08299	1.2
165.05464	0.6
165.09079	0.5
166.06270	1.5
167.07036	1.1
176.08325	1.6
180.07828	1.2
181.08601	100.0
182.09042	1.4
195.10202	5.9
207.10187	7.2
225.11221	19.8
243.12299	22.8
245.09821	0.4
256.67453	0.4
275.12589	0.6
302.99454	0.4
324.14493	0.4
379.15842	0.6
398.14215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01876	17.3
55.05519	25.7
57.03430	4.8
57.07074	3.9
65.03936	4.3
67.05510	57.7
67.77145	2.0
69.03426	7.0
69.07081	11.9
70.60168	1.8
71.04994	3.9
74.12579	2.0
79.05077	2.6
79.05500	33.0
81.03409	8.1
81.07064	37.3
83.04954	6.2
83.08608	14.3
85.06572	3.3
86.62678	2.0
91.05049	2.1
91.05499	20.7
93.07050	28.6
94.11618	1.8
95.01328	20.0
95.04955	8.0
95.08609	19.8
97.02882	6.9
97.06522	4.1
97.10170	19.4
97.75842	1.7
98.20725	4.5
99.04434	5.3
99.34456	2.0
105.07022	13.4
107.04955	7.4
107.08610	21.6
109.02888	3.9
109.06503	10.3
109.10161	30.5
111.08076	4.6
113.02338	2.3
117.07017	8.2
119.04961	2.0
119.08582	12.0
121.06512	3.4
121.10208	9.2
122.07242	1.8
123.04423	2.2
123.08079	30.2
123.11687	4.6
125.09634	16.8
127.03906	5.4
129.07018	4.3
131.04958	3.2
131.08551	8.6
133.06471	2.3
133.10132	8.6
135.04439	5.6
135.08055	10.5
135.11678	5.4
137.05865	2.0
137.09605	2.7
141.06860	2.0
143.08577	4.1
145.06520	3.1
145.10115	8.8
147.04454	5.4
147.11639	4.6
149.02348	4.2
149.09625	3.4
149.13290	6.8
151.03937	5.8
153.05559	2.5
155.08603	3.9
157.06502	2.5
157.10172	4.7
159.11690	4.8
161.02470	1.9
161.13345	2.9
163.03944	3.0
163.11156	5.3
167.03383	2.0
167.08525	4.6
169.10101	2.4
171.10257	2.5
171.11768	2.5
173.09537	3.4
173.11781	3.3
173.13132	4.8
175.03925	3.5
177.01845	4.4
177.12741	3.6
179.03345	2.4
179.14319	20.7
183.08098	2.4
185.09592	3.4
187.03955	2.2
187.11221	4.6
189.05473	2.3
189.11275	7.0
191.03412	3.1
191.10620	2.2
195.08023	3.0
195.13762	3.2
199.03987	3.0
203.10631	3.3
205.04977	10.2
209.11710	2.5
213.09108	6.3
213.16438	2.1
215.10643	2.3
221.04561	3.0
231.10147	4.8
239.10721	3.4
243.10301	4.4
251.05435	12.9
257.11841	3.5
261.11221	2.9
271.09744	2.2
275.20105	3.9
285.11255	4.4
289.10684	6.7
301.10883	4.2
303.12323	9.8
303.26767	3.8
313.10666	4.5
319.11655	3.2
321.13416	10.4
331.11710	12.0
331.26324	20.5
349.12885	44.6
364.69089	2.3
367.13980	6.9
423.16495	100.0
423.31488	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
55.05507	1.7
58.99590	1.5
60.04519	1.1
60.81126	1.0
61.01147	7.8
64.12357	0.9
67.05503	1.1
69.03432	1.2
69.07062	1.6
70.06576	4.7
71.52214	1.7
72.04517	9.9
72.08142	3.3
73.02924	3.1
75.24247	1.0
78.03802	12.7
81.03413	1.4
81.15292	0.9
83.04993	2.0
84.04493	2.9
84.08154	7.7
85.02917	9.7
86.06081	1.4
86.09723	2.3
87.05542	1.0
88.02210	4.2
91.05474	2.8
95.04960	0.9
97.02935	1.2
97.06551	4.8
98.06847	1.9
99.04466	4.1
99.05588	3.1
100.02260	1.4
102.03772	22.7
103.02171	2.5
103.03950	11.4
109.02889	3.9
112.07595	1.1
113.05973	1.4
114.03748	4.2
114.05505	1.4
116.01635	2.4
116.03461	1.0
116.07116	1.2
120.04832	4.8
120.08117	1.7
121.10095	1.1
123.11726	1.4
124.07578	2.0
126.05523	17.7
127.03932	6.7
129.10242	1.3
130.04964	1.4
131.06386	10.8
132.04819	12.1
136.07600	2.9
138.05547	1.0
141.06628	1.2
142.08618	4.8
143.11853	1.2
146.02721	1.3
147.05756	1.2
149.07443	46.8
152.07114	1.5
154.08661	1.3
158.02725	1.3
159.05829	2.6
175.05400	2.1
180.06589	11.2
184.09747	2.4
190.08806	2.2
198.07617	4.0
231.11609	2.7
257.09637	1.5
261.03854	5.5
261.12692	2.8
275.10672	2.1
276.08749	1.4
277.09436	1.2
293.11676	100.0
294.11948	3.7
327.09644	1.9
345.10785	2.1
387.11542	1.3
405.12949	2.7
405.17029	33.5
418.63828	1.1
423.17056	6.9
423.23318	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.01870	6.9
55.05513	33.3
57.03423	10.2
57.07062	7.0
67.05507	100.0
69.03432	28.6
69.07070	27.2
69.67108	25.7
71.01357	5.3
71.04993	8.7
73.02900	5.5
79.05490	67.7
81.03426	33.3
81.06589	6.7
81.07062	93.5
83.04951	11.5
83.08640	19.9
85.02908	14.6
91.05489	52.4
93.07043	81.2
95.04968	14.6
95.08604	57.4
97.02888	17.1
97.06548	9.8
97.10162	12.0
98.20820	7.8
99.04446	7.9
105.07040	52.0
107.04926	6.0
107.08593	52.3
109.02851	4.6
109.06516	11.3
109.10155	34.2
111.04463	6.0
111.08077	4.5
111.11699	3.9
115.77646	4.0
117.07037	26.4
119.08593	35.8
121.06499	6.1
121.10133	33.3
123.04468	4.9
123.08076	10.3
123.11707	15.7
125.09715	6.0
127.03909	8.6
129.06995	11.6
131.08566	41.7
133.06549	3.9
133.10138	33.9
135.08041	9.8
135.11725	29.4
137.09650	4.2
139.08057	3.6
142.25826	4.0
143.08588	12.6
143.67288	4.5
145.04939	6.9
145.06430	4.5
145.10121	35.7
147.08037	4.5
147.11688	24.6
149.09613	6.6
149.13257	18.3
155.08563	8.0
157.10136	15.7
159.08167	5.4
159.11725	21.2
161.09627	5.2
161.13310	10.3
163.11160	5.5
163.14850	8.3
169.10091	8.3
171.11682	14.5
173.11839	5.1
173.13252	17.7
175.11111	5.0
175.14830	6.6
177.12794	6.8
179.14265	7.9
180.80972	3.8
183.11699	6.4
185.13303	6.9
187.14882	5.5
199.11240	5.4
199.14859	6.0
200.70724	4.6
201.12772	5.3
213.12778	4.6
243.21118	4.5
244.79860	4.4
259.20596	13.0
261.22086	25.2
275.20203	6.7
277.21701	9.9
289.21609	7.7
291.23380	5.4
303.23260	12.5
315.23297	5.3
327.23199	4.9
331.26312	6.0
341.24921	5.0
345.24179	7.2
351.23132	8.4
357.24213	4.2
369.24240	22.7
387.25165	26.0
405.26208	29.9
423.16559	10.0
423.27002	34.8
423.32159	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
53.03952	7.9
55.01884	13.4
55.05519	25.0
57.03445	8.2
57.07073	5.4
65.03942	3.3
67.05513	91.1
69.03438	23.5
69.07079	22.9
69.14796	4.9
69.15212	11.9
71.01350	4.0
71.05012	12.6
73.02905	5.4
77.03928	1.8
79.05501	83.9
81.03429	24.0
81.07066	100.0
83.04979	7.0
83.08205	1.7
83.08638	13.0
85.02914	7.4
85.06551	3.0
91.05494	43.5
93.07053	96.8
95.04961	6.5
95.08619	74.2
95.60690	1.8
97.02903	93.2
97.06541	6.4
97.10176	3.7
98.21519	3.6
99.04466	32.6
99.08116	2.1
99.41992	1.6
101.02374	1.9
105.04541	2.5
105.07049	37.8
107.04939	2.2
107.08604	48.6
109.02873	13.0
109.06519	4.5
109.10171	38.8
111.04449	3.9
111.08095	6.1
117.07031	20.7
119.07808	1.2
119.08591	36.4
121.10158	63.7
123.08115	9.4
123.11712	11.9
125.09619	3.4
127.03930	41.7
129.07031	5.7
131.04935	3.5
131.08583	27.9
133.06494	2.9
133.10149	26.2
134.67450	1.9
135.08052	4.7
135.11708	34.8
137.09624	2.0
137.13206	3.7
141.06972	2.2
143.08588	6.3
145.04967	7.6
145.06502	4.1
145.10127	22.8
147.08044	2.4
147.11699	22.6
149.09679	3.4
149.13281	18.1
151.11229	2.2
153.12859	2.4
155.38133	1.7
157.10143	5.1
159.08061	2.6
159.11725	23.5
161.09596	3.3
161.13281	15.1
163.11186	1.8
163.14864	5.5
165.12813	1.7
169.10129	4.1
171.08136	2.2
171.11711	5.8
173.09668	4.6
173.13272	16.2
175.11183	1.9
175.14867	6.5
177.16382	2.4
179.14314	7.8
185.09592	2.6
185.13286	5.0
187.11232	2.3
187.14822	9.3
189.09169	1.9
189.12869	2.3
189.16499	2.4
195.11690	2.3
199.14838	4.0
201.12819	2.4
201.16431	2.7
211.14859	2.0
231.21049	1.9
236.58299	1.8
241.19662	2.3
243.21120	8.9
259.20547	12.7
261.22171	59.0
273.22186	5.9
277.21570	2.8
279.23395	1.9
285.22324	2.2
287.23669	2.6
289.18118	1.8
311.23724	3.6
313.21701	3.6
329.24686	6.0
331.26279	4.1
339.23157	6.8
357.24292	14.5
369.24765	2.0
378.84341	1.7
405.26633	3.4
423.16486	3.5
423.26880	7.5
423.32111	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	423.2745
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03952	13.6
55.01872	2.9
55.05519	30.5
57.03439	14.3
57.07073	6.5
57.32786	2.2
65.03933	5.4
67.05513	100.0
67.61180	2.2
69.03439	53.3
69.06800	2.5
69.07078	28.2
71.04983	7.6
71.23673	5.4
73.02912	5.4
79.05069	4.5
79.05499	65.2
81.03428	82.3
81.07067	99.5
83.04980	14.1
83.08609	10.5
85.02909	29.3
85.06545	3.8
86.34582	2.3
87.04485	3.4
91.04985	3.8
91.05496	46.8
93.06491	5.2
93.07056	83.7
95.05004	12.3
95.08620	82.5
97.02908	28.5
97.06532	7.6
97.10154	8.2
99.04467	10.7
103.03934	5.3
105.04578	2.5
105.07043	44.2
107.04965	6.7
107.08607	51.8
109.02892	22.7
109.06525	7.5
109.09470	3.7
109.10164	41.5
111.04454	7.8
111.08121	4.9
115.03930	3.6
117.07018	17.7
119.08590	39.6
121.06533	5.6
121.10161	43.0
123.04438	2.7
123.08063	7.4
123.11703	20.0
125.09653	5.0
127.03956	16.4
129.05478	3.0
129.07001	8.3
131.08575	31.8
133.06525	3.0
133.10153	28.2
135.08118	5.6
135.11702	30.2
137.09641	3.8
137.13277	4.0
141.06984	3.1
143.08582	8.8
145.04964	3.7
145.06508	2.7
145.10132	26.6
147.08043	5.1
147.11717	28.2
149.09642	2.8
149.13264	18.3
155.08577	3.0
157.10129	8.9
159.11697	21.4
161.09599	2.7
161.13284	15.0
163.11169	5.5
163.14781	9.0
169.10112	4.1
171.11673	6.5
173.13280	19.9
175.11205	4.8
175.14822	4.4
177.12717	4.0
177.16368	4.0
179.14363	4.1
183.11688	4.0
185.13237	6.7
187.14867	6.1
189.12724	3.4
195.13828	2.9
197.13228	4.6
201.16418	3.8
205.12389	2.9
215.17972	2.9
241.19522	3.0
243.21112	10.3
249.15012	2.4
259.20642	13.6
261.22186	41.5
265.76407	2.5
271.20840	2.7
273.22137	3.9
275.23801	3.2
277.21573	5.5
279.23212	3.9
289.21704	5.1
291.23187	5.1
297.21991	3.0
301.21643	5.0
303.23297	18.6
315.23264	4.3
321.66516	2.8
327.23053	3.3
331.22580	3.0
333.23813	2.7
341.24750	5.7
345.24030	5.9
351.23187	6.2
369.24323	14.4
387.25348	24.3
405.26450	32.4
423.27356	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	423.2743
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
55.01863	11.2
55.05508	21.6
55.51931	6.3
57.03432	6.1
57.07087	9.1
67.05512	100.0
69.03432	28.5
69.07068	27.0
71.52516	6.7
76.90947	6.3
79.05488	52.1
81.03415	35.1
81.07053	92.5
83.08631	18.1
85.02914	14.5
90.00063	6.7
91.05490	56.7
93.07043	62.3
94.40434	6.3
95.04987	16.2
95.08615	45.7
97.02904	11.0
97.06540	10.2
97.10178	15.2
105.07042	54.5
107.04964	10.2
107.08587	33.3
109.06538	12.6
109.10172	42.4
111.04457	8.7
117.07043	18.1
119.08570	42.6
121.06458	8.8
121.10149	30.2
123.04486	10.4
123.08078	16.3
123.11696	10.9
125.09650	11.8
127.03970	9.0
129.07059	15.5
131.08539	33.3
133.10127	24.0
135.08072	7.2
135.11700	21.1
143.08563	14.1
145.10149	34.2
147.11710	18.4
149.13277	16.8
151.11163	6.7
157.10126	15.3
159.08151	7.2
159.11725	19.1
161.13226	14.8
163.14894	7.5
171.11734	11.3
172.81326	5.6
173.13239	12.8
175.11165	9.7
179.14334	7.0
183.11652	7.2
185.13229	9.1
187.14848	10.7
242.30882	5.9
259.20633	12.3
261.22156	12.1
301.21713	6.0
303.23117	23.1
323.23972	7.0
369.24182	26.8
382.92175	6.9
387.25269	28.1
394.96024	6.7
405.26376	33.9
423.16638	18.5
423.26788	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
53.08432	1.4
55.01876	11.4
55.05510	21.8
55.33694	1.7
57.03433	7.9
57.07075	3.9
59.04995	2.1
61.39224	1.8
62.46867	1.4
64.20853	1.7
65.03941	2.8
67.05508	75.8
69.03429	10.5
69.07064	12.3
71.04988	11.7
71.52425	1.5
73.02916	7.5
78.81275	1.6
79.05495	53.1
81.03417	9.8
81.07058	72.0
83.04952	2.5
83.08643	9.9
85.02901	5.7
85.06551	3.9
91.05486	34.0
93.07047	65.0
95.01328	2.5
95.04965	5.2
95.08610	55.3
97.02893	100.0
97.06523	4.0
97.10152	3.8
99.04456	48.5
105.07046	21.1
107.04926	1.5
107.08596	32.1
109.02874	14.0
109.06515	6.0
109.09475	2.4
109.10165	30.3
111.08102	2.6
117.07030	8.6
119.08589	20.0
121.10151	38.7
123.08086	5.4
123.11703	9.2
125.09652	3.4
127.03915	33.8
131.08580	15.9
133.10120	13.9
135.08035	1.6
135.11708	25.1
137.09570	1.5
137.13194	2.7
143.08647	1.7
145.04976	15.4
145.10114	11.1
147.11716	10.3
149.13260	15.3
151.11189	2.3
157.10051	1.5
159.11678	14.8
161.13231	7.2
163.14832	3.7
165.76009	1.8
173.11858	3.2
173.13271	7.3
175.14795	3.8
177.16335	2.6
179.14314	6.3
187.14793	3.4
201.16348	2.4
208.79689	1.8
243.21091	7.4
261.22141	28.9
279.23273	2.7
293.08084	2.4
331.26083	1.9
349.12790	3.2
391.03537	1.9
423.16541	9.2
423.27274	10.2
423.31354	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	423.2744
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03942	10.1
55.01861	10.3
55.05517	32.6
57.03424	9.6
57.07069	5.6
65.03939	4.6
67.05508	96.4
69.03143	2.4
69.03443	30.3
69.07077	32.1
69.27015	11.9
69.27446	10.4
71.01349	2.3
71.04983	10.5
73.02897	6.0
77.03901	2.5
79.05499	77.3
81.02985	4.2
81.03425	47.6
81.07063	100.0
83.04974	13.4
83.08624	19.4
83.55196	2.8
85.02910	17.4
85.06548	3.9
86.70296	2.3
87.04508	2.7
87.05049	2.4
91.05485	70.1
93.07048	88.8
95.04975	17.0
95.08612	72.7
97.02901	16.3
97.06538	9.5
97.10155	8.4
98.20794	5.9
99.04446	11.2
99.08096	3.1
103.03932	5.5
103.05453	4.3
105.07036	64.7
107.04956	9.2
107.08601	55.3
109.02869	7.2
109.06507	8.5
109.10169	42.0
111.04475	11.6
111.08092	5.9
111.11653	2.5
113.12959	2.4
115.05428	3.5
117.07011	32.5
119.08588	52.5
121.06509	9.0
121.10149	49.5
123.04447	2.6
123.08061	5.7
123.11693	10.6
125.09627	3.8
127.03893	8.1
128.06264	5.8
129.05482	4.7
129.07016	18.7
131.04991	2.6
131.08578	44.3
133.06508	6.7
133.10138	36.2
135.08025	6.5
135.11696	30.2
137.09633	5.6
139.11172	4.9
141.07004	5.4
141.28670	2.3
143.08574	19.9
145.04912	2.6
145.06508	3.5
145.10136	39.1
147.08051	5.9
147.11688	30.1
149.09622	4.6
149.13254	19.6
151.07556	4.3
151.11154	3.8
153.09129	2.4
153.26926	2.9
155.08502	5.6
157.06528	3.5
157.10156	14.6
159.08060	5.0
159.11691	32.5
161.09639	5.8
161.13249	24.2
163.11142	4.1
163.14819	7.3
165.12805	3.5
169.10110	12.2
171.07979	3.7
171.11612	12.2
173.09692	6.4
173.13240	19.4
175.11198	5.6
175.14758	6.6
177.12703	5.6
177.16437	3.3
181.10117	2.7
183.11690	10.9
185.09605	4.3
185.13251	13.9
187.11198	5.9
187.14815	9.7
189.12785	5.7
193.10133	2.4
195.11732	3.7
197.13266	7.6
199.11237	3.7
199.14836	6.6
201.12706	3.2
201.16350	4.4
205.12151	2.8
209.13362	3.1
211.14890	3.3
213.12698	3.5
213.16321	3.4
217.12141	2.8
227.14294	2.9
233.15366	3.0
233.22649	2.5
241.19563	5.5
243.21066	6.5
249.14816	5.5
259.20581	17.2
261.22192	29.1
271.20526	5.5
273.22125	6.9
275.19879	3.6
275.23767	4.0
277.21765	13.6
285.22083	5.0
289.21768	7.5
291.23227	7.4
301.21597	7.5
303.23151	18.7
313.21579	5.3
315.23209	8.6
319.22626	6.0
323.23691	3.4
327.23163	6.3
331.22650	4.7
341.24667	6.9
345.24301	5.9
351.23193	10.1
359.25583	3.4
369.24313	35.6
387.25369	37.1
405.26382	47.5
423.27359	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01866	8.6
55.05514	32.8
57.03420	8.4
57.07074	4.4
67.05510	100.0
69.03151	2.8
69.03442	31.1
69.07069	25.0
69.34233	23.9
69.51593	3.4
71.04993	9.2
73.02888	3.4
74.95241	3.0
79.05492	50.3
81.03421	33.3
81.07064	92.2
83.04984	15.3
83.08620	13.6
85.02896	10.4
85.06528	5.2
91.05486	49.6
93.07046	68.6
95.04951	16.5
95.08614	53.2
97.02890	12.9
97.06529	11.4
97.10163	6.2
99.04466	6.4
99.08104	2.9
103.03957	3.6
105.07042	51.2
107.04999	6.5
107.08610	42.7
109.02889	6.1
109.06524	10.7
109.10165	53.7
111.04450	14.3
111.08077	9.1
117.07044	19.8
119.07799	4.4
119.08588	44.1
121.06498	8.3
121.10154	26.5
123.04439	4.7
123.08064	11.8
123.11719	11.1
125.09621	5.4
127.03954	5.8
128.06264	3.5
129.05457	2.9
129.06995	14.6
131.08563	36.2
133.06490	5.6
133.10147	37.0
135.08076	9.8
135.11685	19.4
137.09660	4.0
139.11221	4.3
140.47171	3.0
141.07007	5.3
143.08566	14.6
145.06442	6.5
145.10170	22.5
147.07993	8.4
147.11700	20.5
149.09625	8.4
149.13246	15.3
151.07571	3.6
153.06808	3.0
155.08528	6.3
157.10129	11.6
159.08083	3.9
159.11691	21.9
161.09584	5.0
161.13252	12.9
163.11188	4.2
163.14810	8.9
169.10149	7.5
171.08037	4.3
171.11694	13.9
173.09607	5.9
173.11755	9.3
173.13249	14.5
175.11191	9.3
175.14842	8.4
177.12701	4.1
178.31085	2.9
179.14330	5.1
183.11737	7.1
185.09662	3.1
185.13214	11.8
187.14877	7.0
192.78874	2.9
195.11763	5.4
195.13759	8.1
199.11078	4.3
199.14879	3.6
201.12781	4.7
209.13274	4.7
213.12692	4.9
213.16460	4.8
221.88000	2.9
225.16470	3.7
235.16800	3.5
241.19518	4.9
259.20630	5.8
261.22168	13.0
273.22043	6.7
277.21695	9.4
285.22073	4.6
289.18317	3.0
289.21649	6.5
291.23187	7.3
299.23367	3.1
301.21716	8.7
303.23358	18.6
307.18991	3.1
315.23163	4.6
319.22653	3.6
321.13519	3.3
327.23087	6.8
331.22589	3.9
331.26175	5.3
341.24683	5.9
345.24341	5.7
351.23102	13.2
359.25598	3.7
369.24210	33.4
387.25278	36.5
405.26492	34.7
423.16779	8.5
423.27179	46.5
438.21066	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14598	0.9
53.03945	3.2
55.01875	6.6
55.05514	10.4
57.03426	4.1
57.07058	1.9
60.91214	0.9
61.23089	0.9
64.43636	0.9
67.05508	32.1
68.20347	1.0
69.03435	11.7
69.07069	11.2
70.12828	4.0
71.05008	5.5
71.08631	1.9
73.02912	2.5
79.05492	22.0
81.03423	12.2
81.07058	34.7
81.07530	2.1
83.04988	1.6
83.08622	7.0
85.02908	3.1
85.06554	2.2
91.05485	14.2
93.07050	26.1
93.07637	1.5
95.04976	2.8
95.08607	26.3
97.02899	23.9
97.03517	1.4
97.06546	3.0
97.10159	2.1
99.04463	18.8
99.08092	1.4
105.07033	11.8
107.08598	18.9
109.02892	8.1
109.06523	10.5
109.10152	12.9
111.08081	2.5
117.07028	4.2
118.37740	0.9
119.08588	11.4
121.10139	14.2
123.08073	38.3
123.08962	2.1
123.11703	5.2
125.09657	1.3
127.02986	1.4
127.03918	21.0
129.07059	1.4
131.08562	7.3
132.31635	1.0
133.10135	8.2
135.08060	6.0
135.11702	8.6
137.09628	3.8
137.13251	2.1
143.08585	1.1
145.04958	3.1
145.10120	6.3
147.11699	5.9
149.09622	2.8
149.13281	6.3
151.11154	1.5
159.11705	7.2
161.13246	4.6
163.11171	1.7
163.14905	2.5
171.11673	1.7
173.09758	1.1
173.11896	1.4
173.13342	4.2
175.14896	2.0
177.12814	3.0
179.14314	29.3
183.11732	1.7
185.13344	1.4
187.14815	2.9
189.16502	1.0
193.16017	1.5
205.15964	1.6
243.21188	2.0
259.20609	2.3
259.60016	1.1
261.22110	8.6
263.20145	1.6
275.19974	4.9
277.21655	1.5
289.21817	1.2
293.21326	1.7
296.70712	1.0
303.26871	3.8
331.26352	28.2
331.30130	1.9
349.12936	1.4
349.27472	6.4
357.24341	1.8
367.24759	2.0
387.67142	1.0
423.16449	3.9
423.31143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01881	0.7
55.05247	0.5
55.05511	11.9
55.05763	1.1
57.03449	3.8
57.07076	2.5
59.05004	3.6
65.03936	2.8
67.05509	100.0
69.03439	0.8
69.07072	9.7
71.04996	4.2
71.08633	0.7
79.05499	18.4
79.86208	0.6
81.03429	1.6
81.07063	49.2
83.04990	2.7
83.08624	11.4
85.06557	4.3
91.05488	15.1
93.07055	23.9
93.07542	0.5
95.04975	3.6
95.08616	13.1
97.06524	5.0
97.10198	1.0
99.08097	1.5
105.07061	4.9
107.08603	14.4
109.06526	1.9
109.10165	60.7
111.08106	5.0
117.07016	4.6
119.08584	6.3
121.06529	1.3
121.10157	6.3
123.08072	1.7
123.11726	1.6
125.09649	1.2
126.56347	0.5
131.08575	4.8
133.10147	7.2
135.08052	1.5
135.11707	6.3
135.16502	0.6
137.09630	2.2
139.11224	0.7
143.08548	0.8
145.10150	1.5
147.11699	0.9
149.13277	12.4
151.11168	1.3
155.08588	0.7
155.10672	4.8
156.98486	0.6
157.10100	0.8
159.11711	5.1
167.14262	0.8
173.11755	15.9
173.13156	0.7
177.12737	2.9
179.14330	4.6
195.13814	10.6
197.13281	0.5
213.14824	1.6
297.17087	0.7
316.82407	0.8
331.26297	1.7
405.26190	0.8
423.27316	73.5
424.27640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.54151	7.1
50.97630	7.1
53.03955	9.0
55.01899	8.7
55.05509	27.4
57.07077	11.5
67.05508	88.0
68.08234	7.1
69.03436	37.1
69.07062	29.0
69.90098	30.3
71.04977	7.6
71.08640	9.4
73.02900	9.4
79.05507	51.6
81.03435	45.9
81.07065	100.0
81.40460	7.8
83.04993	14.2
83.08613	21.4
85.02879	18.2
91.05484	62.1
93.07048	66.1
95.04980	23.9
95.08620	89.6
97.02924	25.0
97.06590	8.9
97.10193	9.3
105.07053	47.2
107.04992	13.0
107.08621	42.4
109.06560	11.7
109.10184	49.4
111.04405	11.6
111.08063	8.4
117.07028	21.4
119.08597	52.3
121.10164	35.8
123.08059	14.0
123.11767	12.8
127.03911	14.0
129.07010	17.7
131.08556	46.1
133.10155	33.3
135.11725	24.9
141.48857	8.8
143.08536	12.5
145.10135	25.9
147.11697	26.4
149.02390	7.7
149.09624	16.7
149.13283	22.3
157.10164	14.1
159.11720	21.5
161.13290	17.0
163.14963	7.9
167.08470	7.7
171.11678	19.9
173.13255	18.9
175.14915	9.2
175.79588	8.4
179.14336	7.9
179.47270	8.2
187.14955	13.4
197.13260	8.3
199.11153	11.5
221.62935	9.1
243.21094	10.5
243.99091	9.2
259.20523	14.5
261.22000	12.1
277.21597	13.9
290.35577	8.1
303.23322	35.8
315.23309	13.1
327.23239	15.7
341.79852	8.5
345.24384	8.3
351.22897	7.8
369.24249	50.3
387.25348	54.9
405.26285	57.3
423.27237	29.0
434.80032	7.9
443.54617	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38791	0.8
52.07421	0.6
53.03945	1.5
55.01864	2.3
55.05517	6.3
57.03439	2.2
57.07067	2.3
62.05457	0.7
65.03944	0.9
67.05509	11.8
69.03440	4.0
69.07072	8.4
69.55835	3.1
69.56242	1.4
69.59436	0.6
71.04987	2.4
71.08640	1.3
73.02932	1.0
75.04486	0.8
75.33905	0.6
79.05485	7.6
81.03419	3.7
81.07066	14.8
83.04969	1.0
83.08601	3.4
85.06555	1.2
91.05492	6.1
93.07052	10.5
95.04958	1.0
95.08616	11.8
97.02873	5.5
97.06512	2.4
97.10188	1.1
97.49777	0.6
98.21491	1.3
99.04456	5.0
99.08109	1.0
105.07040	6.1
107.08595	9.5
109.02882	2.6
109.06516	11.0
109.10166	6.8
110.75011	0.6
111.08092	1.1
117.06976	1.1
119.08582	6.4
121.06512	1.0
121.10151	6.8
123.08076	36.7
123.11726	2.1
127.03923	4.9
131.08594	2.6
133.10135	4.5
135.08069	5.2
135.11699	4.1
137.09648	2.7
137.13226	0.7
145.05000	1.1
145.10126	3.9
147.11665	3.7
149.09651	2.1
149.13246	2.5
151.11214	0.9
159.11697	2.5
161.09671	0.8
161.13280	2.6
163.14828	1.2
165.12720	1.1
173.13290	2.2
177.12776	2.1
179.14316	27.4
191.14255	0.9
192.63885	0.6
205.15900	1.1
213.97459	0.7
232.12511	0.8
233.19025	1.1
243.21237	0.8
247.20605	0.9
255.29428	0.7
259.20752	1.0
261.22137	2.8
263.20126	1.2
275.20032	3.3
289.25296	1.1
293.21173	2.5
303.26865	3.8
331.22421	1.2
331.26361	22.1
349.27411	5.5
367.24649	2.3
405.29947	2.0
423.31113	100.0
424.31351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.2
55.01876	2.4
55.05517	6.0
57.03436	2.7
57.07069	3.0
67.05507	12.9
69.03420	2.3
69.07070	10.9
71.04996	2.8
71.08633	2.0
71.53325	1.3
72.08175	2.4
77.71374	1.3
79.05503	8.8
81.03423	3.5
81.07059	19.4
82.53974	1.1
83.04982	2.2
83.08607	5.8
85.02851	1.4
89.06004	1.4
91.05495	7.5
93.07054	12.1
95.04961	2.2
95.08607	16.4
97.06546	3.4
97.10195	2.2
97.19263	0.9
100.21855	1.2
105.07014	7.2
107.08599	9.4
109.06529	10.5
109.10173	6.8
109.77746	1.0
111.08059	2.2
113.00044	2.0
117.07036	2.9
117.51079	1.1
119.08576	8.0
121.06513	1.6
121.10149	7.7
123.08080	42.9
123.11725	4.6
129.07033	1.4
131.08540	4.1
133.10130	6.8
135.08069	7.7
135.11713	4.2
137.09622	3.3
143.08575	1.5
143.25526	1.0
145.10147	4.6
146.70313	1.0
147.11736	4.5
149.09663	2.6
149.13313	3.8
154.31490	1.0
157.10150	2.7
159.11671	5.2
161.09673	1.5
161.13254	2.5
163.11177	1.3
163.25209	1.1
165.12761	1.8
171.11771	1.5
171.54857	1.1
173.13286	2.8
175.14813	2.2
177.12805	4.1
179.14323	25.6
187.11084	1.4
187.14763	1.3
205.15915	1.5
221.10115	1.2
233.18994	1.5
238.73975	1.1
263.20114	1.8
275.20074	3.6
291.23181	1.5
293.21222	3.6
294.94287	1.2
303.23560	2.1
303.26645	2.1
311.25974	2.7
331.26324	24.2
349.27347	6.1
369.24695	2.6
387.25394	3.9
401.43143	1.2
405.25946	2.1
423.31140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83178	0.4
67.01853	2.1
68.99776	2.2
69.03418	1.3
69.62273	0.9
69.62675	1.7
70.02962	0.6
70.06592	0.8
72.08157	0.6
74.00652	0.9
75.73325	0.5
81.03423	0.5
83.01366	0.4
84.08153	0.5
85.02905	0.8
86.09686	0.7
88.03481	0.8
88.03994	9.0
97.02905	0.9
104.20623	0.5
105.46520	0.5
111.00794	1.0
111.04498	0.6
113.02357	2.2
120.01182	1.1
120.08132	0.8
121.01116	0.5
123.04434	0.8
127.03918	1.2
129.10240	0.8
136.07567	1.1
137.00612	2.3
141.00037	1.1
141.40997	0.5
146.22546	0.5
147.04396	0.8
149.00546	2.9
153.01830	100.0
155.01624	13.1
156.99547	1.4
162.05478	0.7
165.00075	5.3
166.00832	1.0
167.01645	1.9
167.03302	0.8
168.97897	0.4
168.99542	0.7
171.02985	0.8
176.01703	0.6
179.01637	1.0
180.99638	1.1
181.01300	0.9
183.01141	2.0
187.02142	0.6
192.99460	1.1
194.02724	15.6
194.04509	5.7
195.02899	1.4
206.02711	1.0
215.01688	0.9
219.01088	1.4
233.02626	0.7
240.03250	50.3
243.01164	2.8
245.04587	0.5
254.04863	0.9
255.03185	1.5
261.02051	3.8
262.04337	1.4
267.11331	1.9
271.00610	14.1
272.05905	4.8
279.03131	4.9
284.03110	2.4
285.12384	1.7
287.05566	1.2
289.01651	1.9
299.00116	3.8
303.13422	0.6
307.02710	6.1
317.01144	28.5
319.02725	9.5
329.26193	0.6
335.02261	3.9
342.04254	1.5
343.02859	2.1
389.03180	0.7
406.05920	8.1
407.04254	1.3
424.07178	4.0
424.66605	1.8
425.15463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03942	1.1
55.01872	0.4
55.05512	0.7
61.02933	0.5
61.05909	0.3
64.62766	0.3
65.03938	0.4
65.25622	0.3
66.18392	0.3
67.05510	1.5
68.62092	0.3
69.03430	0.5
69.07077	0.6
71.52412	0.6
77.03918	0.5
79.05496	2.9
81.03427	0.6
81.07047	1.1
82.07363	0.3
84.04495	0.3
85.02910	2.6
91.03953	0.4
91.05527	0.4
92.04990	0.6
93.07034	0.6
95.04975	1.2
95.08638	0.4
97.02885	0.7
101.42529	0.3
105.04507	0.4
105.07109	0.3
107.04964	100.0
108.05305	0.6
109.10161	1.8
114.09185	0.8
119.08616	0.6
120.04481	5.9
121.02920	0.3
121.06523	0.4
127.03883	0.8
131.08560	0.4
138.05498	1.6
145.04962	0.6
155.10660	0.4
173.11751	1.4
218.04181	0.3
227.07146	0.8
245.08154	2.3
251.09293	0.4
269.10309	0.6
406.26013	0.4
424.08655	0.3
424.26730	0.4
449.25000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.6
55.93523	2.3
56.05030	1.5
57.03429	1.5
57.07545	1.6
61.41168	1.7
62.41147	1.8
67.05504	4.8
69.03431	5.9
69.07065	5.0
70.06597	2.6
71.05001	2.2
71.52026	2.0
79.05489	3.5
81.03417	1.7
81.07061	10.3
83.04984	11.5
83.08630	12.0
84.04515	2.8
84.08179	1.9
85.02920	13.2
85.06551	3.5
86.09708	3.5
91.05474	3.3
93.07070	10.8
95.04990	13.2
95.08612	6.4
97.02879	3.8
97.06534	4.1
98.97604	3.5
99.04447	4.8
105.07053	9.1
107.08611	14.7
109.02863	1.9
109.06507	11.6
109.10168	14.3
109.92783	1.8
111.08086	5.1
119.08579	7.0
121.10142	17.7
123.04419	2.9
123.11744	4.3
125.09641	5.4
127.03901	4.4
128.98624	1.7
131.08553	5.7
133.10133	34.2
135.08046	3.3
135.11688	4.6
136.07582	3.4
137.09633	2.3
143.08463	1.8
147.04416	5.6
147.11710	5.6
149.13263	7.1
151.11221	15.7
153.09113	8.5
163.14786	3.7
167.14317	20.5
173.13283	21.6
191.14310	28.2
191.15904	2.9
209.15379	100.0
227.16460	14.5
263.05582	16.3
278.11255	2.7
342.00394	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	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42610	1.5
55.01890	1.6
55.05498	6.0
57.03429	2.8
57.07061	2.0
67.05501	4.6
69.03437	2.7
69.07076	16.2
71.04983	3.0
71.53236	2.6
73.02909	2.3
79.05483	2.4
81.03426	2.5
81.07069	21.8
83.04974	4.0
83.08622	5.3
84.00231	1.3
85.02910	24.8
85.06533	4.6
91.05482	4.5
93.07034	4.9
95.04961	1.5
95.08602	7.2
97.02905	1.4
97.06528	4.9
98.21460	1.3
99.04462	4.7
99.08064	2.1
100.11269	2.5
101.02389	3.0
105.07052	8.8
107.08581	5.0
108.08132	2.5
109.06526	5.9
109.10140	2.5
113.06024	1.4
115.07513	1.6
116.49153	1.4
119.08582	4.3
120.08123	2.7
121.10155	7.9
123.08082	3.6
123.11718	26.6
127.07613	7.4
133.10133	2.2
137.13272	3.4
141.09227	1.7
147.04367	1.7
147.11697	33.4
147.12814	2.8
151.11159	1.4
155.14311	6.1
165.12767	20.5
183.13823	85.9
187.13261	3.7
201.14883	100.0
205.02585	1.3
227.19969	1.4
263.05576	2.1
365.16327	1.5
424.26743	3.9
425.15881	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	424.2847
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03939	1.2
55.01855	0.8
55.05498	2.4
57.07060	2.3
65.03927	1.2
67.05506	6.2
68.05033	8.1
69.07059	3.2
70.06597	17.2
70.93192	1.9
70.93533	0.8
71.04984	1.0
79.05495	8.0
80.05019	4.4
81.07053	8.9
82.06586	4.7
83.08595	1.5
84.04491	1.0
84.08144	1.4
85.06533	1.5
89.19676	0.7
91.05486	10.6
93.07050	11.8
95.04951	3.4
95.08609	6.0
96.08120	3.6
100.07625	14.0
105.07037	25.5
107.04943	0.8
107.08598	10.1
108.08134	5.0
108.08767	0.8
109.10159	4.9
114.05550	5.4
114.09129	0.9
115.05462	1.5
116.07085	2.2
117.07008	6.1
119.08585	20.8
120.08097	2.2
121.06524	0.8
121.10168	5.7
122.09669	2.6
126.09161	1.3
128.06223	2.0
128.07083	14.7
129.06989	4.5
130.07770	2.1
131.08575	13.8
132.08104	1.0
133.10123	12.3
134.09648	1.6
135.08083	3.3
135.11676	2.7
137.09695	0.8
140.07076	1.1
141.06993	1.2
142.07724	2.9
142.08661	6.6
143.08554	9.4
145.10129	14.6
146.09651	1.0
146.10686	0.9
147.11668	3.4
148.11189	3.5
149.09631	1.4
149.13272	1.2
153.06966	1.0
154.08646	23.8
155.08609	2.7
156.09367	3.7
157.10150	8.4
158.09683	1.0
158.10916	2.2
159.11711	5.0
160.11214	1.7
161.09685	1.3
162.12827	1.4
164.07106	1.3
165.06924	1.0
167.08528	1.8
168.10265	5.9
169.10069	4.7
170.10938	0.8
171.11700	4.6
172.11154	1.5
173.13274	10.4
174.12798	3.9
175.14862	1.7
177.07889	0.9
178.08636	4.1
179.08559	1.5
181.10124	1.8
183.11748	4.0
185.13229	2.6
186.12775	1.6
187.14799	1.5
192.10262	3.6
193.10152	1.7
194.11842	13.1
195.11760	2.5
197.13249	3.1
199.14848	3.6
201.16301	1.4
207.11678	1.2
209.13284	5.5
211.14882	1.9
216.10254	1.6
217.15933	2.3
218.11826	4.3
219.12727	1.1
220.13280	3.1
221.13289	1.0
223.14760	0.9
232.13341	2.2
233.14021	1.1
234.14674	1.0
235.14920	1.3
237.16299	1.2
246.15015	1.0
258.14905	1.2
263.09180	1.0
265.19522	1.3
283.20651	1.3
284.16602	1.6
286.18039	2.1
302.17596	3.4
309.22003	1.5
314.21130	7.2
317.19846	1.4
332.18103	1.6
332.22214	87.5
406.27463	8.9
424.28479	100.0
425.28635	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	424.2852
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03950	1.9
55.05508	5.1
57.07064	3.8
57.45689	1.5
59.04999	1.6
61.02923	1.7
67.05506	20.5
68.05044	8.2
68.05815	2.3
69.07069	5.5
70.06594	19.1
71.52737	1.9
72.38886	1.3
73.02911	1.7
79.05495	14.1
80.05015	3.1
81.07068	16.7
82.06551	3.2
82.91615	1.7
83.08608	3.3
85.06541	2.3
91.03974	1.9
91.05476	14.7
93.07050	17.2
94.07409	1.7
95.04966	6.1
95.08599	8.8
96.08126	5.3
100.07636	16.1
103.05486	3.1
105.07037	30.9
107.08603	12.7
108.08100	5.1
109.10154	11.2
110.10520	2.3
114.05508	7.0
114.09100	1.5
115.05443	2.0
117.07021	6.7
119.08595	19.6
120.08124	3.2
121.10137	7.4
122.09706	1.8
128.06204	2.4
128.07077	15.8
129.07028	4.0
130.07796	2.2
131.08568	14.8
133.10127	14.9
134.09628	2.3
135.08086	2.9
135.11719	4.1
142.07719	3.7
142.08658	4.8
143.08572	12.8
145.10165	17.2
146.09642	3.3
148.11209	4.7
150.42899	1.5
154.08656	26.3
155.08548	2.6
156.09341	2.1
157.10172	12.1
158.10924	2.1
159.11705	3.9
160.11160	2.0
168.10329	7.8
169.10175	4.4
171.11739	5.3
172.11227	2.5
173.11963	1.8
173.13278	9.1
174.12817	2.2
175.14896	1.7
178.08636	4.5
183.11716	5.2
192.10147	1.8
194.11829	14.8
195.11697	2.1
197.13309	2.1
199.14867	3.7
205.71907	1.7
209.13275	4.1
216.10129	1.9
217.16052	2.9
218.11693	3.7
220.13419	3.5
223.14781	1.9
232.13359	2.8
235.14867	2.7
270.14899	1.6
284.16418	1.8
286.18198	2.0
302.17657	2.3
314.21231	9.9
326.21085	1.9
332.22205	81.9
406.27530	13.1
424.28442	100.0
425.29175	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33538	0.9
70.45157	1.8
70.45493	1.3
82.99851	1.8
84.70776	0.9
85.02920	1.3
85.30309	0.9
94.93011	3.2
97.02905	1.1
101.00886	16.9
107.33438	0.8
109.02883	0.8
112.04797	0.9
113.00880	3.7
119.01137	1.5
119.01926	16.1
123.05459	0.9
127.02411	3.3
131.01917	6.6
137.02911	1.2
139.02420	1.2
143.01907	32.7
145.03485	9.9
147.01443	1.0
155.01906	15.1
157.03465	5.0
161.02971	38.1
167.01878	11.1
169.03488	2.2
171.00468	0.9
171.05014	2.0
173.02972	14.2
175.04427	1.1
179.01843	4.5
185.02969	29.0
187.04558	2.4
191.04056	3.5
197.02937	10.7
203.04001	13.3
209.02969	2.1
215.04024	6.1
221.02928	2.2
221.04936	2.0
227.04079	6.5
233.05246	1.2
239.04095	0.9
245.05086	100.0
246.05235	2.0
248.89624	7.6
257.05121	6.7
263.06149	24.3
275.06122	11.4
293.07047	2.5
302.29987	1.1
305.07196	11.5
335.08167	3.2
365.09082	6.9
383.08173	1.7
425.11343	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	425.1449
Annotation	Praeroside II
Peak:m/z	Relative Intensity
50.90790	0.4
53.03937	1.3
55.01863	0.5
55.05492	0.8
57.03426	1.4
61.02913	1.9
67.05498	1.9
69.03155	0.4
69.03443	4.6
70.06596	0.6
71.05002	0.5
73.02914	0.6
79.05499	1.1
81.03423	2.7
81.07046	1.7
83.08624	0.6
84.08173	0.6
85.02916	12.2
86.63061	0.5
87.04457	0.6
91.03962	0.7
91.05502	3.7
93.07037	1.0
95.01341	0.8
95.08606	1.3
97.02910	5.0
99.04474	1.0
105.07087	0.7
107.08588	0.9
107.58644	0.4
108.11268	0.4
109.02892	1.6
116.58212	0.4
118.44798	0.5
119.04954	2.5
119.08582	0.6
121.06536	0.6
123.08110	0.5
127.03911	2.0
131.08536	0.6
133.04887	0.5
141.01889	0.5
145.04985	2.8
147.04430	5.3
149.27559	0.4
151.07556	0.5
159.09500	0.4
159.11668	0.7
160.05275	0.7
175.03946	5.2
179.03423	0.8
187.13274	0.7
195.13832	1.6
197.04495	0.8
202.15163	1.0
203.03423	45.8
204.03813	0.7
207.13725	0.5
209.04504	0.5
216.04199	1.9
221.04472	82.4
222.04767	1.0
234.05208	2.8
245.08150	1.7
263.09177	100.0
264.09500	1.5
360.98666	0.6
374.96545	1.4
378.99704	0.6
383.99985	0.7
425.17999	1.0
425.25662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1573
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.01864	1.4
56.96542	0.5
60.62014	0.6
67.05493	0.8
69.03423	1.1
70.06601	0.8
71.04981	0.7
71.41732	0.9
85.02901	1.4
86.99071	0.5
89.09828	0.7
91.05455	0.7
95.08587	0.6
109.10131	0.7
111.04482	0.7
116.00082	0.6
123.04420	1.1
125.02330	2.0
131.08543	0.8
147.04419	1.2
153.01810	1.6
163.65480	0.6
199.03961	1.0
263.05518	19.8
281.10703	1.1
408.80893	0.6
425.15710	100.0
426.16333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01881	7.5
55.05515	96.6
57.07100	4.9
63.10325	4.3
67.05511	23.1
69.03436	19.9
69.07071	12.6
69.39289	11.0
69.39697	34.8
69.62690	4.6
71.04996	16.2
79.05496	32.1
81.07055	41.4
83.05021	25.3
83.08627	100.0
85.06558	5.3
91.05484	44.0
93.07052	48.4
95.04977	97.9
95.08619	44.8
97.06553	51.9
102.95467	5.0
105.07046	75.6
107.08601	71.2
109.06529	17.2
109.10154	11.9
111.08092	9.8
113.09661	28.7
115.05440	6.2
117.07025	16.7
119.08597	47.4
121.06519	25.8
121.10146	16.0
123.08089	17.9
125.09669	42.8
128.06233	12.6
129.07018	27.7
130.07768	12.4
131.08545	27.9
133.06499	6.6
133.10138	27.8
135.08086	7.5
135.11694	5.7
139.11192	27.5
142.07768	18.6
143.08606	37.9
144.09314	7.9
145.06537	7.2
145.10147	46.9
147.08087	8.6
147.11697	7.6
153.09143	6.7
153.12758	11.5
155.08562	21.0
155.10664	26.4
156.09349	19.8
157.10146	50.0
159.08060	16.8
159.11726	23.0
161.09627	14.2
167.08612	9.0
169.10133	28.4
170.10931	7.0
171.11635	26.4
173.09647	13.6
173.13332	9.4
175.11235	11.9
181.10164	15.1
181.12244	17.3
183.11681	15.2
185.13272	14.5
187.11238	7.7
193.10165	11.2
194.10878	8.2
195.11757	16.4
195.13762	8.5
196.12434	8.9
197.09653	6.0
197.13300	8.8
199.11159	10.6
201.12721	7.8
206.10950	11.4
207.11790	9.2
208.12584	9.5
209.13348	18.3
211.14865	22.3
213.12619	6.6
215.14323	7.3
216.11862	5.1
221.13264	18.3
221.15312	8.7
223.14807	7.3
233.15331	7.8
235.14835	8.9
239.14360	32.5
247.14803	9.1
260.76898	5.2
265.15924	7.8
275.16537	18.1
285.18747	9.0
291.36288	5.6
297.18384	9.8
298.19345	35.1
299.19843	5.3
301.18024	9.0
303.63052	4.7
307.20621	6.0
323.19830	7.3
407.25778	99.5
425.17767	5.3
425.27948	4.8
443.65900	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	426.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56490	3.0
54.66498	2.9
55.05315	2.7
55.05519	32.9
57.03439	9.5
57.07061	14.7
61.76546	3.0
61.92493	2.9
67.05498	8.9
67.15488	3.2
68.61439	2.7
69.07073	39.5
70.59878	2.8
71.08625	10.5
71.53457	2.9
73.12780	3.3
81.07057	12.2
83.08624	32.1
91.05481	3.9
93.07050	6.1
95.08611	9.3
97.06502	4.7
97.10178	26.6
98.97878	4.4
98.98476	66.7
107.08601	4.7
109.10126	3.2
111.11723	7.7
121.10138	7.9
135.11664	6.7
136.68552	3.1
137.13200	3.8
149.13271	3.5
152.81000	2.9
155.01050	44.5
167.48857	3.6
173.02136	7.4
175.30263	3.1
196.03757	4.2
237.22223	18.4
264.94046	3.1
266.81119	2.8
311.22186	5.8
311.25784	100.0
332.90219	3.6
363.63443	4.1
391.22321	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1023
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
55.01878	3.8
65.03921	1.2
66.21774	0.6
67.58824	0.7
68.99789	3.7
69.03434	1.2
70.06594	3.4
71.01345	0.8
71.10523	1.4
71.10873	0.9
79.05479	0.7
81.03510	0.6
83.08620	0.9
84.08143	0.8
85.02916	2.5
86.09701	1.6
91.05473	2.2
95.04952	1.2
97.02906	1.5
105.07080	0.8
107.04980	1.2
111.04482	1.1
115.05495	2.0
116.07030	0.7
117.07030	0.7
117.19812	0.7
118.04211	0.7
120.00127	0.6
120.08043	0.9
121.02877	3.1
123.04449	6.7
125.02415	1.1
129.07005	2.1
131.04985	1.6
135.04440	3.9
137.02339	1.5
139.03915	34.4
141.07030	2.3
143.04936	2.2
145.06499	3.1
147.04454	4.7
150.07785	6.0
151.03877	1.2
153.05478	7.0
153.06694	1.1
155.04941	1.0
155.06129	0.9
157.06485	3.0
159.04431	1.8
161.05988	28.2
163.03920	100.0
165.05437	1.4
169.06503	3.0
171.04434	2.7
173.06004	4.6
175.03915	3.5
175.07579	1.2
177.05475	1.1
181.06520	0.9
183.04543	1.6
185.06015	5.3
187.03949	2.4
189.05496	5.0
194.97482	1.9
195.97739	1.7
197.05984	6.0
201.05508	7.5
203.07074	2.3
205.05005	1.9
211.03957	1.4
212.98311	1.2
213.05472	9.2
215.07025	1.7
217.04968	2.9
223.97742	0.9
225.05489	6.1
226.13011	1.3
227.07077	1.1
229.04971	23.4
231.06575	3.3
237.05466	1.5
237.95592	3.3
238.95940	2.2
241.04993	11.3
243.06531	11.2
245.04884	0.8
246.99301	1.8
247.06055	24.1
247.17000	1.1
247.99519	1.8
253.05022	2.4
255.06548	1.7
256.56311	0.8
257.04279	1.0
259.06039	57.3
265.04974	1.5
265.10825	1.3
265.15543	1.0
266.00732	1.0
271.06006	9.5
283.06042	2.0
289.07077	62.9
295.11523	1.2
301.07068	1.8
343.99832	1.6
345.00052	6.4
386.02716	1.1
391.08273	4.0
397.18515	2.3
404.03653	1.5
409.09216	31.1
427.10416	9.6
427.19559	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03022	0.2
56.05035	0.3
57.03415	0.3
57.04557	0.5
61.02923	0.3
69.03409	0.5
70.06577	0.9
71.10645	0.4
71.10989	0.3
73.02911	0.2
80.28395	0.2
81.03423	0.3
83.79984	0.2
85.02893	1.1
86.09683	0.5
88.30288	0.2
94.04065	1.2
97.02934	0.3
97.40371	0.2
107.28336	0.2
109.25176	0.2
110.07179	0.3
114.05519	0.8
116.07032	0.3
120.08100	0.2
122.05928	0.2
123.04424	0.3
123.06680	0.5
124.07642	0.3
139.03911	0.3
147.04474	0.3
150.07758	100.0
151.08139	0.4
159.07753	0.2
174.09138	0.2
177.05533	0.2
179.03363	0.3
193.05054	0.2
197.04498	1.0
211.69518	0.2
214.08429	0.3
214.12233	0.2
223.09607	0.2
240.10274	0.6
251.13870	0.3
265.10721	2.5
282.11993	1.1
282.16946	0.6
287.05539	0.3
295.11511	24.8
296.08826	0.4
296.11777	0.3
314.10211	0.3
331.12976	0.7
345.14383	0.3
355.13272	0.2
374.12299	0.3
391.15228	0.6
409.09445	0.3
409.15936	0.5
427.09589	0.3
427.19836	1.3
427.24594	0.3
428.14673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01508	0.3
53.03940	1.0
55.01864	1.3
57.03444	2.5
58.21149	0.4
61.02930	3.2
67.01884	0.7
67.05502	0.6
69.03433	8.4
70.05787	0.7
70.06198	0.8
71.04982	0.9
73.02921	1.1
79.05488	1.6
81.03419	3.6
81.07063	6.1
83.01351	1.5
84.32979	0.3
85.02908	23.5
87.04461	1.0
91.03966	1.3
93.07069	0.4
93.92921	0.4
95.04968	1.1
97.02893	7.7
99.04453	1.2
103.05517	0.6
105.03365	0.6
107.04946	0.5
109.02885	2.8
113.74619	0.3
121.06548	0.5
123.04454	2.4
127.03919	4.8
131.04947	0.7
133.02834	0.6
135.04385	0.7
135.08029	0.4
139.03905	1.1
145.04964	4.1
145.06104	0.5
145.06483	0.3
149.05988	0.4
151.03925	4.3
153.05437	0.5
155.03406	1.5
159.04414	0.4
159.08089	0.4
161.02272	0.5
163.03925	3.6
163.07530	0.5
165.01974	0.4
167.03438	0.7
169.04959	7.6
177.05511	1.7
179.03403	12.9
181.04964	12.4
183.02885	1.4
185.04431	0.8
187.03943	1.6
187.07565	1.1
191.03477	0.6
195.06532	1.3
197.04465	54.5
198.04944	0.5
201.09247	0.7
204.52509	0.4
205.04929	3.5
205.08594	1.8
209.04449	2.0
209.08087	1.5
211.05995	1.7
219.10223	0.8
221.04327	0.6
223.06030	7.2
223.09457	1.8
229.08603	1.1
236.06725	0.5
237.11365	0.4
247.09685	3.7
265.10712	100.0
266.11047	1.1
383.33640	0.4
427.15973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84168	0.6
53.03933	1.8
55.01865	1.7
57.03460	3.0
61.02941	2.8
67.01871	1.0
67.93868	0.5
69.03429	8.3
70.64551	1.8
70.95578	0.5
71.01345	0.6
71.04995	0.6
73.02928	0.7
73.88049	0.6
74.75465	0.5
77.15522	0.6
79.05466	1.5
81.03419	4.4
81.07059	6.7
82.05623	0.5
83.01336	1.6
85.02914	21.5
85.03434	1.1
87.04463	1.1
91.03947	1.1
94.73351	0.6
97.02906	7.0
99.04453	1.8
104.02860	0.5
109.02884	2.6
109.42777	0.6
115.03951	0.6
121.06486	0.8
123.04421	2.5
127.03928	4.4
131.04935	0.8
135.04382	0.7
139.03868	1.4
145.04974	3.6
151.03931	5.1
151.58498	0.7
155.03404	1.7
159.04414	0.9
159.08109	0.6
160.62483	0.6
163.03925	3.6
163.07500	0.8
167.03410	0.9
169.04950	8.0
177.05504	1.8
179.03412	13.4
181.04982	11.9
183.03082	0.9
187.03937	1.7
187.07542	1.4
193.04935	0.8
195.02905	0.7
195.06606	1.4
197.04471	58.4
201.09042	0.8
205.05022	4.5
205.08646	2.1
209.04486	2.7
209.08064	1.3
211.05983	1.1
223.06067	8.1
223.09738	2.1
229.08632	0.8
247.09708	3.8
265.10730	100.0
266.11124	1.7
346.33347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1603
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01873	1.4
55.05504	0.6
57.03440	2.2
57.07077	0.3
59.04996	0.5
59.53839	0.1
61.02930	4.3
63.56524	0.2
67.01872	0.7
67.05508	0.4
67.94240	0.1
68.99787	0.3
69.03436	9.4
69.07062	0.4
69.86977	0.9
71.01347	0.5
71.05003	1.4
73.02923	1.5
79.05497	1.3
80.31310	0.1
81.03422	4.8
81.07060	5.1
83.01347	1.2
83.04998	0.2
85.02909	24.4
85.27178	0.2
86.84142	0.2
87.04466	1.5
91.03957	1.5
91.05500	0.4
93.03437	0.2
93.07029	0.3
95.04971	0.8
95.08642	0.2
97.02899	8.2
98.21478	0.3
99.04456	2.0
103.05465	0.2
105.03423	0.3
107.04938	0.4
107.08575	0.2
109.02885	2.4
113.02368	0.4
115.03938	0.3
121.06538	0.4
123.04433	2.5
123.08027	0.3
127.03924	5.5
131.04924	0.6
133.02846	0.5
135.04430	0.7
135.08061	0.3
137.02281	0.2
139.03902	0.9
145.04970	4.4
145.06232	0.3
147.04425	0.4
149.02414	0.2
149.05995	0.6
151.03911	3.9
153.05435	0.5
155.03415	0.9
155.08595	0.2
159.04390	0.5
159.08017	0.2
161.02376	0.4
163.03915	3.5
163.07486	0.2
165.01805	0.3
167.03394	0.7
169.01392	0.2
169.04973	6.2
177.05464	1.8
177.09198	0.3
179.03404	10.0
181.04973	10.6
183.02864	0.8
183.08070	0.4
185.04445	0.7
186.51543	0.2
187.02451	0.3
187.03938	1.4
187.07565	0.7
191.03345	0.3
191.10585	0.2
193.04901	0.5
195.02791	0.3
195.06570	0.8
197.04463	44.1
198.04721	0.3
201.09105	0.6
203.03326	0.2
204.07953	0.2
205.03192	0.3
205.04968	3.9
205.08580	1.4
209.04465	2.2
209.08025	1.1
211.05873	1.1
211.07335	0.2
211.07748	0.4
218.05624	0.2
219.10179	0.7
221.04463	0.4
223.06017	6.8
223.09470	1.4
225.98064	0.2
229.08643	0.9
236.06728	0.4
237.11317	0.3
247.09665	2.6
265.10715	100.0
266.11038	1.1
427.16071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01871	1.3
55.05503	0.6
57.03443	2.4
57.07069	0.3
59.04995	0.4
61.02928	3.6
63.77502	0.2
65.03936	0.2
67.01872	0.6
67.05481	0.4
68.99785	0.3
69.03433	9.5
69.07069	0.4
69.35695	1.3
71.01342	0.3
71.05000	1.3
73.02916	1.4
79.05498	1.4
79.53742	0.2
81.03421	4.7
81.06590	0.3
81.07057	5.4
83.01336	1.1
83.08620	0.3
84.04492	0.2
85.02907	21.7
87.04036	0.2
87.04479	1.5
89.16494	0.2
91.03946	1.5
91.05466	0.4
93.07036	0.6
94.44543	0.2
95.04958	0.8
95.08618	0.5
96.78844	0.2
97.02893	8.5
99.04453	1.6
100.11227	0.3
101.02381	0.3
103.05452	0.3
105.07050	0.4
107.04956	0.5
107.08598	0.4
109.02882	2.9
109.10164	0.2
113.02383	0.5
115.03932	0.3
115.32195	0.2
121.02888	0.2
121.06546	0.5
123.04432	1.6
123.08036	0.4
125.09609	0.2
127.03919	5.3
129.07007	0.2
131.04895	0.8
133.02890	0.3
135.04410	0.6
135.08035	0.6
137.02295	0.3
137.11969	0.2
139.03905	1.0
145.04958	3.9
145.06245	0.2
145.06570	0.2
149.05936	0.4
151.03903	3.5
153.05412	0.4
155.03377	0.8
159.04408	0.6
159.08029	0.5
163.03909	3.6
163.07539	0.3
165.01958	0.2
165.05505	0.2
167.03423	0.6
168.45915	0.2
169.01329	0.2
169.04965	5.7
173.02403	0.2
173.09622	0.2
177.05479	1.7
177.09145	0.2
179.03404	9.8
181.04956	11.8
183.02847	0.7
183.08095	0.4
185.04449	0.5
187.03862	1.4
187.07527	1.1
191.03448	0.4
193.05022	0.6
195.06590	0.9
195.10170	0.2
197.04457	42.8
198.04787	0.3
201.09091	0.6
203.03358	0.2
205.04958	4.2
205.08586	1.4
207.06526	0.3
209.04459	2.1
209.08122	1.1
211.05980	0.8
211.07718	0.3
219.10114	0.7
221.04431	0.4
221.07965	0.2
223.06033	7.8
223.09477	1.6
224.06500	0.2
229.08571	1.2
237.07578	0.2
237.11238	0.2
247.09665	3.1
265.10709	100.0
266.11035	1.4
407.26627	0.2
427.15710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1604
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03934	1.3
55.01865	1.7
55.05499	0.7
56.35072	0.4
57.03436	3.1
61.02935	2.6
67.01858	0.8
67.05492	1.2
69.03086	0.6
69.03436	9.0
69.07080	0.8
70.05873	1.3
71.04988	1.3
73.02904	1.4
79.05500	1.9
79.42015	0.4
81.03417	4.3
81.07064	6.5
83.01351	1.3
83.04987	0.6
85.02911	21.6
87.04465	1.4
87.97196	0.4
91.03964	1.0
91.05506	0.7
93.07030	0.7
95.04965	2.1
97.02901	7.4
97.06509	0.5
99.04462	1.6
103.05473	0.7
105.07034	0.6
107.04956	0.6
107.08594	0.5
109.02872	2.0
117.07025	0.4
119.04955	0.4
123.04453	2.6
127.03944	4.2
131.04922	0.8
133.02898	0.7
135.04445	0.7
135.08051	0.6
137.02350	0.6
139.03899	0.9
145.04973	4.0
146.49634	0.4
147.04445	0.6
149.05986	1.1
151.03931	3.7
151.07611	0.4
155.03384	0.8
159.04384	0.6
161.02272	0.6
163.03920	4.9
167.03383	1.2
169.04971	7.5
173.09570	0.4
177.05461	1.8
179.03418	14.1
181.04973	13.3
183.02895	0.5
183.08170	0.4
185.04382	1.1
187.03934	2.0
187.07539	1.0
191.03368	0.5
193.04913	1.1
195.06557	1.7
197.04469	50.4
201.09137	0.8
205.04990	6.6
205.08629	1.6
209.04453	3.2
209.08064	1.2
211.05997	4.9
211.07710	0.6
219.10115	0.7
221.04559	0.5
221.22374	0.4
223.06033	17.9
223.09656	1.6
229.08623	1.5
237.11218	0.5
239.09061	0.6
245.96860	0.5
247.09691	4.0
255.02075	0.4
265.10730	100.0
266.11151	1.4
427.26025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05531	0.8
57.03416	1.3
61.02920	1.4
67.05510	1.5
69.03437	3.1
79.05504	2.5
81.03419	1.6
81.07075	6.2
83.01353	1.0
85.02915	7.5
97.02908	2.4
98.21611	1.6
109.02877	1.4
120.60053	0.8
123.04440	3.6
127.03934	1.4
131.04823	0.8
131.08566	0.8
135.08040	1.0
145.04991	1.1
151.03925	5.3
153.05508	0.8
155.03407	1.5
155.08505	0.8
163.03888	4.3
167.03375	0.8
169.04961	8.2
177.05467	2.4
179.03435	11.7
181.04985	13.1
183.02960	1.0
183.08096	0.8
185.04497	1.1
187.03940	1.9
194.16896	0.7
195.06473	1.2
197.04471	46.7
205.05009	4.6
205.08698	1.6
209.04474	2.5
209.08144	1.7
211.06039	1.4
223.06070	9.8
223.09634	1.8
234.76286	1.0
247.09637	4.7
265.10733	100.0
266.11118	1.1
340.26379	0.8
432.30310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1599
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03945	1.4
55.01864	1.3
55.05494	0.4
55.38884	0.3
55.42436	0.2
57.03437	2.5
57.07049	0.3
59.04999	0.3
61.02932	3.6
67.01849	0.4
67.05499	0.3
69.03431	10.7
69.07064	0.5
70.91761	0.5
70.92113	0.4
71.04983	1.3
73.02920	1.4
79.05478	1.4
81.03420	4.7
81.07058	5.3
83.01342	0.7
85.02907	25.5
86.36449	0.3
87.04471	2.0
91.03967	1.7
91.05482	0.3
93.03403	0.4
93.07040	0.6
95.04964	0.7
97.02297	0.5
97.02893	9.1
97.03516	0.4
97.06530	0.5
98.61871	0.3
99.04473	2.0
105.07037	0.3
107.04982	0.5
107.08579	0.3
109.02888	3.0
121.06471	0.4
123.04427	1.7
127.03925	5.9
131.08574	0.3
133.02881	0.5
135.04408	0.6
137.02357	0.8
139.03909	0.9
145.04965	4.2
149.05989	0.5
151.03903	4.1
152.27951	0.3
153.05402	0.3
155.03398	1.0
155.08493	0.3
159.04422	0.5
159.08058	0.6
163.03925	4.0
167.03450	0.5
169.04967	6.5
177.05470	1.8
177.09131	0.3
179.03394	10.1
180.03949	0.3
181.04945	13.1
183.02838	0.6
185.04433	0.6
187.03937	1.4
187.07602	0.8
191.03394	0.4
193.04962	0.3
195.06491	0.8
197.04456	41.8
201.09076	0.4
205.04944	4.0
205.08661	1.4
207.13721	0.3
209.04497	1.6
209.08069	1.1
211.05966	1.0
211.07722	0.5
219.10287	0.5
221.04347	0.3
221.15227	0.3
223.06027	7.1
223.09488	2.1
229.08540	1.0
237.11287	0.5
247.09674	2.9
265.10706	100.0
266.11053	1.5
335.04315	0.4
359.00674	0.8
377.01651	1.2
404.06320	0.7
427.15851	1.2
427.25342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1602
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03947	1.1
55.01865	1.2
55.05517	0.4
57.03439	2.9
57.07075	0.3
61.02648	0.2
61.02930	3.3
67.01867	0.7
67.05505	0.3
69.03430	10.9
69.07062	0.4
70.22850	0.4
71.01347	0.3
71.05003	1.0
73.02923	1.7
79.05510	1.2
81.03419	4.0
81.06585	0.3
81.07058	4.8
82.86106	0.2
83.01354	1.1
83.04980	0.3
85.02907	22.8
86.38196	0.2
87.04474	1.4
91.03958	1.3
91.05489	0.2
91.32233	0.2
93.03392	0.3
93.07016	0.3
95.04962	0.7
95.08597	0.2
97.02893	8.7
99.04446	1.7
101.02396	0.3
103.05435	0.3
105.03401	0.2
107.04929	0.4
109.02883	2.7
113.02332	0.2
115.03938	0.3
121.02863	0.3
121.06531	0.4
123.04431	2.3
123.08042	0.2
127.02972	0.2
127.03914	4.7
131.04930	0.8
131.08542	0.2
133.02846	0.4
135.04425	0.5
135.08066	0.5
137.02289	0.3
139.03857	1.1
145.04977	3.9
149.05991	0.6
151.03909	3.3
153.05440	0.3
155.03412	1.2
159.04370	0.7
159.08009	0.3
161.02354	0.3
163.03906	3.9
163.07541	0.3
165.01906	0.4
167.03401	0.7
169.01242	0.2
169.04973	6.2
177.05467	1.8
177.09135	0.4
179.03394	9.4
181.04961	11.4
183.02863	1.2
183.08095	0.3
187.02409	0.3
187.03912	1.3
187.07536	0.7
191.03369	0.3
193.04967	0.4
195.06567	1.1
197.04457	44.0
198.04736	0.3
201.09085	0.6
205.04977	3.6
205.08650	1.6
209.04465	1.9
209.08029	0.9
211.05925	0.9
211.07758	0.3
219.10130	0.7
221.04407	0.3
223.06024	7.6
223.09454	1.7
229.08536	1.0
230.60143	0.2
236.06738	0.3
237.07658	0.2
237.11221	0.4
247.09656	3.3
265.10706	100.0
266.11087	1.0
427.15970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48388	0.3
50.87526	0.3
53.03956	1.5
55.01867	1.2
57.03449	2.6
61.02924	3.1
67.01847	0.7
67.05499	0.5
69.03435	9.0
69.29674	2.8
71.01345	0.7
71.04968	0.9
73.02905	1.2
73.14703	0.3
79.05509	1.7
81.03413	3.9
81.07062	6.5
83.01342	1.6
85.02910	22.8
87.04461	1.0
87.62943	0.3
91.03965	0.8
95.04958	1.2
97.02898	7.7
97.06609	0.3
98.21463	0.7
99.04436	1.1
103.05444	0.5
105.03368	0.4
109.02880	2.3
113.43951	0.3
121.06470	0.6
123.04421	3.0
127.03924	4.1
131.04918	0.6
133.02866	0.6
135.04384	0.7
139.03915	0.9
144.63235	0.3
145.04959	3.5
149.05997	0.5
151.03917	4.3
153.05478	0.9
155.03387	1.2
159.04419	1.0
161.02365	0.5
163.03922	3.8
163.07547	0.5
167.03426	0.8
169.04985	9.0
177.05478	2.2
179.03415	14.1
181.04961	11.7
183.02913	0.8
183.08070	0.4
185.04449	0.9
187.02454	0.3
187.03879	1.7
187.07518	1.2
191.03397	0.7
193.04951	0.6
195.02811	0.4
195.06569	1.6
197.04465	54.6
205.04950	4.5
205.08636	1.4
209.04446	2.1
209.08092	1.3
211.05998	1.3
211.07736	0.6
219.10034	0.6
223.06035	6.6
223.09558	1.7
229.08476	1.7
236.06870	0.4
247.09694	3.6
265.10718	100.0
266.11066	1.1
361.17853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1602
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03956	1.7
53.15697	0.3
55.01870	1.3
55.05523	0.3
57.03440	2.6
57.07080	0.5
61.02938	4.0
67.01870	0.5
67.05485	0.5
69.03433	9.0
71.01365	0.5
71.04980	1.0
73.02921	1.1
74.19697	0.3
74.95584	0.4
79.05508	1.6
81.03424	3.8
81.07058	7.1
83.01353	1.2
85.02908	24.6
87.04449	1.1
91.03941	1.5
95.04976	1.0
97.02898	8.5
99.04455	1.3
105.03355	0.4
109.02887	2.6
121.06486	0.6
123.04424	2.7
124.54913	0.4
127.03925	4.0
131.04915	0.7
133.02844	0.5
135.04446	0.8
135.08067	0.6
137.02380	0.4
139.03934	0.9
145.04955	3.3
149.05968	1.1
151.03915	6.0
155.03392	1.3
159.04404	0.8
161.02321	0.8
163.03920	4.0
163.07501	0.4
167.03363	1.0
169.01314	0.5
169.04976	8.0
173.09642	0.5
177.05498	2.3
179.03406	13.3
181.04964	13.0
183.02863	1.1
183.08141	0.4
185.04459	0.8
185.62346	0.4
187.02441	0.5
187.03833	1.9
187.07533	0.9
193.04961	0.5
195.06534	1.2
197.04465	60.3
198.04707	0.4
201.09126	1.0
203.68060	0.4
205.04988	4.3
205.08624	2.1
209.04489	2.5
209.08075	1.4
211.05975	1.4
219.10129	0.9
223.06038	7.2
223.09532	1.8
229.08607	1.2
247.09694	4.2
265.10721	100.0
266.10995	0.6
274.36105	0.4
302.04123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01377	0.3
53.03934	1.3
54.88924	0.3
55.01863	1.2
55.05505	0.5
57.03430	2.5
61.02930	3.1
66.95281	0.3
67.01857	0.6
67.05516	0.3
67.65403	0.4
68.99170	0.3
69.03435	8.2
69.07052	0.4
69.76453	1.3
71.01331	0.4
71.04974	1.1
72.08150	0.3
73.02924	1.4
79.05492	1.8
81.03422	3.8
81.07063	5.6
83.01342	1.3
85.02908	24.7
87.04469	1.2
91.03970	1.5
91.05478	0.5
93.07026	0.6
95.04977	1.4
95.08583	0.4
97.02900	9.0
97.03522	0.6
99.04460	1.2
101.27814	0.3
105.07043	0.4
107.04943	0.6
109.02873	2.2
121.06470	0.4
123.04436	2.8
123.08068	0.5
127.03908	4.7
131.04912	0.9
133.02859	0.6
135.04425	0.8
135.08055	0.4
137.02258	0.4
139.03871	1.3
145.04970	3.4
147.04427	0.3
149.05945	0.7
151.03914	4.5
151.05009	0.6
153.05489	0.4
155.03397	1.4
157.44801	0.3
159.04449	0.4
159.08017	0.4
161.02353	0.5
163.03917	3.9
165.01947	0.3
167.03383	1.0
169.04974	9.0
177.05498	1.6
179.03398	12.7
180.04082	0.3
181.04964	11.4
183.02890	1.2
183.08054	0.5
185.04361	0.4
187.03853	1.5
187.07567	1.2
187.17816	0.3
191.03415	0.6
193.04910	0.7
195.06532	1.0
197.04459	55.7
198.04681	0.5
201.09148	0.6
205.04987	3.9
205.08466	1.4
209.04428	2.3
209.08125	1.5
211.05954	1.6
216.99556	0.3
219.10240	0.8
223.06021	7.6
223.09433	1.9
229.08586	1.1
247.09676	3.5
265.10712	100.0
266.10992	1.0
427.19415	1.3
449.98837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1601
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03940	1.4
54.65437	0.4
55.01867	1.7
55.05515	0.5
56.82486	0.4
57.03434	2.3
61.02926	3.1
64.12309	0.5
67.01862	1.2
67.05506	0.5
69.03086	0.7
69.03436	8.8
69.07061	0.9
71.04990	0.9
73.02918	1.2
79.05502	2.5
81.03421	3.9
81.07060	7.3
83.01344	1.4
85.02909	22.0
87.04462	1.5
91.03954	1.3
93.75816	0.3
95.04987	1.4
97.02907	6.5
99.04453	1.0
109.02898	2.6
109.22888	0.4
115.95335	0.4
117.07047	0.4
121.06491	0.7
123.04434	3.7
123.08147	0.5
124.31820	0.4
127.03922	3.9
131.04939	0.9
133.02827	0.4
135.04419	0.5
135.08069	0.7
137.02425	0.4
139.03903	1.4
145.04959	3.1
149.06038	0.6
149.28931	0.4
151.03914	5.8
153.05409	0.5
155.03392	1.5
159.04456	0.9
159.08058	0.6
161.02319	0.8
163.03943	4.6
163.07513	0.4
167.03418	0.7
169.04964	9.3
172.78427	0.4
177.05460	2.2
177.09119	0.6
179.03403	17.3
181.04961	13.4
183.02922	0.9
185.04427	0.5
187.03969	2.2
187.07573	1.0
193.05009	0.8
195.06569	1.4
197.04463	64.7
198.04861	0.5
201.09113	0.8
205.04961	4.3
205.08681	1.4
209.04463	3.0
209.08054	1.8
211.05852	0.8
216.41255	0.4
219.10107	0.9
221.04457	0.8
222.04976	0.5
223.06038	9.0
223.09471	1.9
229.08600	1.1
247.09668	4.1
265.10715	100.0
266.11023	0.8
306.53299	0.4
336.72055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01868	6.7
55.05506	6.7
57.03434	3.6
57.07067	3.0
61.02908	3.2
65.80261	2.1
67.05228	1.7
67.05515	14.5
69.03429	3.1
69.07082	9.3
70.59846	5.6
79.05509	14.4
81.02987	2.8
81.03421	30.2
81.07060	18.3
83.04980	2.9
83.06567	1.8
83.08620	5.9
85.02872	2.8
91.05475	15.2
93.07035	17.8
95.04978	13.1
95.08616	12.6
97.02921	4.7
97.06510	3.4
97.10172	3.1
105.07029	9.6
107.04951	8.2
107.08584	7.9
109.02876	4.2
109.06503	2.7
109.10141	4.2
117.07028	3.4
119.04921	2.4
119.08565	12.1
121.06519	10.4
121.10151	5.3
123.08052	5.8
125.02345	2.3
129.06992	5.7
131.04948	2.6
131.08556	7.5
133.06474	2.1
133.10161	8.4
135.04385	2.5
135.08020	3.7
135.11713	4.2
137.05975	2.6
137.09645	2.5
143.08603	3.7
145.06525	2.8
145.10147	4.6
147.04428	2.4
147.08058	5.6
147.11621	3.9
149.13271	3.9
151.03906	2.4
157.10194	2.1
159.11699	5.7
161.09557	2.7
161.13237	3.4
163.11142	2.2
169.10156	3.6
171.11685	10.0
177.12778	10.0
189.12791	4.1
197.04468	2.6
205.12119	2.2
207.13789	26.3
225.14758	1.9
233.15353	2.8
243.13831	2.6
261.14886	10.3
265.10712	5.1
265.25284	6.0
279.15778	3.2
282.94363	2.0
289.14386	22.9
307.15445	23.4
325.16446	22.3
335.14847	13.2
353.16019	7.2
381.19058	4.6
409.18387	2.4
427.19635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68594	0.3
56.98130	0.3
69.03407	1.3
70.06574	1.5
70.37742	1.1
76.62646	0.3
81.03368	0.6
84.08144	2.3
85.02883	1.5
91.05455	0.3
96.08125	0.6
97.02865	0.4
98.09667	1.0
105.07029	0.5
133.10104	0.8
136.06152	1.4
147.04375	0.6
151.03888	0.7
161.09612	2.0
163.03908	6.2
165.05476	3.0
166.90474	0.3
173.09578	0.3
175.03873	0.4
181.04932	0.4
187.07582	1.8
189.05544	0.6
189.09109	17.4
190.09387	0.4
191.07062	5.9
202.08643	1.2
205.08714	0.5
215.09431	1.1
217.08612	6.3
219.10143	0.9
230.11777	18.7
245.07195	0.3
248.12830	100.0
249.13115	1.5
266.13736	3.3
410.18100	42.4
411.18445	1.0
428.19193	23.2
428.65289	0.4
429.20227	0.7
439.30688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.3
69.03402	0.9
69.64339	0.9
69.64748	0.4
70.06600	1.3
84.08153	1.8
84.49246	0.2
85.02917	1.6
96.08115	0.5
97.02849	0.7
98.09673	0.9
98.20651	0.3
105.07023	0.5
109.51617	0.2
123.94656	0.2
132.11162	0.3
133.10114	0.8
135.07962	0.3
136.06175	0.3
147.04337	0.3
153.41843	0.3
161.09628	1.7
163.03903	5.7
165.05472	2.9
181.04832	0.3
187.07559	1.3
189.09105	16.7
191.07042	5.2
195.75328	0.3
199.07646	0.6
202.08662	1.4
205.08572	1.0
215.09456	0.7
217.08589	6.2
219.10191	0.5
230.11765	21.7
246.11310	0.3
248.12820	100.0
249.13156	0.9
266.13806	2.6
348.59189	0.3
356.93387	0.2
410.18097	41.2
411.18567	0.6
428.19199	23.7
429.20117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01874	2.0
57.03455	4.5
61.02930	8.8
62.20094	0.9
69.03436	15.2
69.07076	22.2
69.40775	5.6
69.41192	1.6
70.06604	9.1
71.04991	1.7
72.08148	1.9
73.02903	4.0
81.03425	4.5
81.07059	1.0
84.04498	2.7
84.08138	2.7
85.02913	100.0
86.09709	4.4
87.04457	2.0
90.74406	0.9
91.03978	5.4
93.07054	1.5
95.08597	1.0
97.02902	24.0
98.97591	1.4
99.04456	5.6
101.02351	1.2
102.05544	1.1
103.01622	1.0
107.08563	1.0
109.02915	6.8
115.03954	1.3
116.07117	1.1
120.04491	1.2
123.04445	1.5
127.03927	26.0
129.10216	1.1
129.61124	1.0
136.06200	1.9
139.03899	4.1
143.11815	1.0
145.04970	61.1
147.04379	2.2
161.05980	1.7
162.06273	1.1
163.04008	7.0
163.06039	28.4
163.07391	1.6
164.04224	4.0
165.93158	0.9
213.11253	1.4
227.11597	2.8
231.12259	2.9
247.05998	1.2
248.06407	1.4
248.09225	1.3
248.12790	3.3
259.06012	2.3
260.06378	3.2
263.09280	1.1
266.10794	1.5
266.13712	1.9
289.06912	2.7
290.07413	3.7
325.11203	4.7
359.28421	1.2
392.13287	1.1
410.09326	3.0
428.14877	1.3
428.19656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1528
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01865	2.4
55.05513	4.2
56.96569	1.4
57.03441	5.3
61.02937	6.9
65.03943	1.1
67.05502	6.3
68.26125	0.9
69.03427	8.9
69.07063	1.8
69.69192	5.5
70.06596	3.1
71.01366	1.5
71.04976	1.3
73.02922	3.0
79.05499	7.3
81.03421	21.5
81.07049	7.0
83.04971	2.3
83.08620	3.5
84.04505	1.8
84.08159	3.3
85.02914	12.5
85.06586	0.8
86.09711	6.1
91.03972	2.9
91.05453	7.2
93.07049	4.7
95.04968	17.2
95.08599	2.4
97.02898	10.0
97.06529	1.8
98.20798	1.0
98.97581	1.4
99.04482	2.5
103.03976	3.5
103.05466	1.0
105.07046	4.9
107.04993	4.3
107.08601	3.3
109.02916	4.6
109.06561	1.9
111.04460	1.5
111.08121	3.3
115.03965	0.9
117.07023	2.3
119.05006	1.3
119.08575	5.3
121.06528	3.5
121.10147	2.9
123.04426	8.6
123.08101	1.1
125.09682	1.4
127.03904	4.7
129.07065	3.1
131.08588	3.2
133.06485	1.5
133.10184	1.6
135.08067	1.9
135.11739	1.9
145.05104	1.0
145.06500	1.3
145.10147	3.9
147.04393	4.3
147.08038	1.1
147.11711	3.1
149.09631	1.5
153.09140	1.5
157.10172	2.6
161.06000	1.8
163.11156	4.7
167.10742	1.3
169.10176	1.0
171.07970	1.1
171.11678	2.0
175.11192	2.6
183.06602	1.3
185.04553	1.1
189.05522	1.1
189.12862	2.3
191.10736	1.0
193.12239	9.9
197.04526	2.7
199.18124	1.2
203.05894	1.0
203.13980	1.1
205.12352	1.2
207.13867	2.3
211.13313	8.2
217.12337	1.6
223.13344	1.5
229.65175	0.9
232.01222	1.0
235.13312	14.3
249.08008	2.8
249.14919	2.7
253.14365	1.1
259.13315	4.6
262.20087	1.0
267.09036	13.1
267.11554	1.3
267.15915	7.7
268.11856	2.2
270.73712	0.9
273.14938	4.5
277.14532	2.3
285.10135	4.1
285.17093	1.9
301.14465	5.0
309.10107	6.9
309.16959	8.1
319.15546	2.0
333.16974	1.1
351.17831	1.0
369.12277	2.3
375.17902	5.7
393.19189	3.4
411.20160	2.7
429.15326	100.0
429.21140	13.9
430.17297	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
53.03933	0.9
54.93472	0.3
55.01865	1.6
57.03439	2.1
61.02933	2.9
66.40383	0.3
67.01862	1.1
67.05499	0.4
69.03083	0.4
69.03432	6.4
70.33912	0.6
70.34299	0.6
71.04976	0.9
73.02924	1.5
74.74030	0.3
76.56044	0.3
76.60783	0.3
81.03408	2.9
83.01355	1.9
85.02910	17.0
87.04444	1.3
91.03940	1.0
95.04973	1.5
97.02898	5.6
99.04432	1.0
103.98425	0.4
105.03377	0.6
109.02909	1.7
117.05148	0.3
123.04428	5.1
127.03087	0.4
127.03934	3.9
133.02856	1.0
145.04979	2.7
151.02736	0.6
151.03912	8.6
161.02309	0.6
169.04976	15.4
179.03401	22.3
180.03694	0.4
193.04927	0.4
197.04462	100.0
198.04791	1.3
199.02216	0.3
267.12289	46.1
268.12619	0.4
417.46384	0.3
429.11844	0.5
429.17386	0.3
442.49283	0.3
452.63004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1761
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
53.03933	0.8
55.01873	1.1
55.05509	0.2
57.03445	1.5
61.02643	0.3
61.02925	2.6
67.01861	1.0
67.05500	0.4
69.03091	0.4
69.03434	6.4
70.63421	0.6
71.04979	0.7
73.02920	1.2
79.05533	0.2
80.72433	0.2
81.03422	3.4
83.01334	2.0
85.02909	18.7
87.04459	0.9
91.03962	1.2
94.71675	0.2
95.01337	0.3
95.04987	1.5
97.02899	6.7
99.04449	1.3
105.03387	0.5
109.02887	2.3
123.03574	0.4
123.04440	4.8
127.03914	3.7
133.02869	0.9
143.79834	0.2
145.04968	3.8
151.03914	7.7
155.03429	0.3
161.02364	0.6
169.04973	14.0
179.03407	19.7
186.03636	0.2
197.04463	100.0
198.04782	1.0
211.06009	0.3
265.10672	0.3
267.12286	46.7
268.12625	0.5
306.44388	0.2
391.28488	0.2
429.17499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
53.03928	0.8
55.01866	1.0
55.05507	0.6
56.96544	0.4
57.03426	1.3
61.02928	2.3
65.03944	0.8
67.01871	0.9
67.05493	1.2
69.03437	4.2
69.15179	2.6
69.15585	0.7
71.04993	0.4
73.02902	0.7
79.05502	0.5
81.03423	1.9
83.01343	2.2
85.02909	12.5
87.04462	0.7
91.03942	1.0
91.05459	0.4
93.15416	0.3
95.04955	2.0
95.08610	0.5
97.02901	4.0
99.04453	1.3
105.03378	0.7
109.02888	1.2
119.08585	0.6
123.04451	5.3
123.08097	0.3
127.03928	2.5
129.02136	0.4
133.02849	1.2
133.06506	0.5
137.94383	0.4
145.04994	1.6
149.02361	6.9
151.03909	8.5
161.02428	0.6
164.56819	0.4
169.04970	12.9
179.03404	22.5
193.04961	5.7
197.04468	100.0
198.04889	0.5
237.07648	1.7
267.12292	46.8
268.12469	0.8
297.04111	0.4
324.41122	0.4
341.06464	0.5
353.34717	0.4
359.07568	0.4
366.89508	0.4
385.09222	1.2
403.10339	0.5
429.11847	8.4
429.20306	0.5
440.64645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.0
55.01834	1.1
55.15694	0.3
57.02399	0.3
57.03439	1.6
61.02929	2.8
67.01836	1.2
67.05473	0.6
69.03431	7.2
70.11088	0.3
70.11410	1.2
71.04966	0.8
73.02871	0.9
80.13674	0.2
81.03417	3.1
81.07019	0.5
83.01331	1.9
83.79489	0.3
85.02909	18.2
86.03216	0.4
87.04430	1.1
91.03914	1.1
95.04961	1.8
97.02900	6.2
99.04456	1.5
103.70741	0.3
105.03329	0.9
109.02879	2.3
118.80708	0.3
123.04444	4.4
127.03915	3.7
133.02844	1.2
145.04976	3.0
151.02759	0.5
151.03914	8.1
161.02299	1.0
169.04973	13.0
170.05513	0.3
179.03404	21.5
180.03725	0.4
181.04984	0.3
182.05331	0.4
183.05470	0.5
197.04459	100.0
198.04840	1.6
199.04982	0.9
211.06023	0.5
265.10736	2.5
266.11075	1.4
267.12299	48.6
268.12701	0.5
272.32205	0.3
429.21091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01865	0.9
57.03443	1.6
61.02933	2.9
67.01877	1.2
67.05498	0.4
67.24055	0.2
69.03094	0.5
69.03441	7.7
71.01170	0.5
71.04988	0.9
73.02901	0.8
79.05486	0.3
81.03429	3.5
81.07078	0.3
83.01349	1.7
85.02915	18.7
87.04467	1.0
91.03951	1.2
95.04988	1.7
97.02906	7.1
99.04480	1.5
105.03386	0.6
109.02912	2.1
123.04436	4.5
123.08063	0.3
127.03931	3.2
133.02840	1.2
145.04977	3.0
151.03929	7.5
161.02328	1.0
169.04987	14.3
179.03409	22.3
193.04996	0.3
197.04475	100.0
198.04863	1.0
199.05096	0.4
211.06105	0.4
265.10727	0.5
267.12311	52.9
268.12625	0.4
297.81625	0.2
311.46127	0.3
311.77844	0.3
331.89777	0.3
351.24243	0.3
360.53589	0.3
429.21643	0.4
429.36145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01831	1.4
55.93578	0.3
57.03390	1.6
61.02924	3.3
67.01833	1.3
67.05476	0.7
69.03432	8.0
69.03773	0.4
69.61982	2.1
71.04963	0.8
73.02869	1.2
75.64803	0.3
79.05439	0.4
81.03422	3.3
83.01344	2.0
85.02906	17.5
86.03215	0.4
86.09664	0.5
87.04425	1.0
91.03914	1.0
95.04933	1.3
97.02897	6.1
98.20850	0.6
99.04405	1.1
105.03376	0.5
109.02892	1.9
121.06577	0.4
123.04427	4.7
127.03920	4.4
133.02791	0.7
145.04973	3.7
151.02753	0.6
151.03903	9.3
161.02295	1.2
169.04962	14.0
179.03392	20.6
180.03772	0.5
181.05072	0.4
197.04457	100.0
198.04803	2.0
199.04987	1.2
225.06628	0.4
249.10661	0.4
259.76849	0.4
265.10608	2.2
266.10965	2.1
267.12302	47.9
268.12616	0.9
327.51825	0.4
350.97235	0.4
429.17752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01867	0.8
55.05508	0.5
57.03445	1.6
58.86782	0.3
59.04998	0.3
60.83122	0.2
61.02932	2.8
67.01869	0.9
67.05489	1.0
69.03434	7.6
69.23027	2.1
71.04967	0.8
73.02905	1.0
74.48438	0.2
76.37330	0.2
79.05469	0.3
81.03415	3.5
81.07021	0.3
83.01339	2.2
85.02911	18.7
86.09702	0.5
87.04496	1.1
91.03934	1.3
91.05463	0.3
95.04993	1.8
95.08598	0.4
97.02902	7.0
98.20789	0.6
99.04449	1.4
105.03385	0.6
109.02868	1.7
119.08504	0.2
119.58493	0.3
123.04438	5.0
127.03935	3.9
130.04990	0.3
133.02834	0.7
145.04970	3.7
147.04387	0.3
151.03909	8.0
155.03381	0.3
161.02338	0.7
169.04984	15.2
179.03403	20.4
180.03749	0.4
197.04465	100.0
198.04765	0.9
206.68860	0.3
211.06111	0.5
267.12292	47.4
268.12610	0.7
287.02850	0.3
312.18167	0.3
324.26883	0.2
429.17279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01866	1.3
57.03437	2.1
61.02934	3.5
67.01853	1.2
67.05490	1.0
69.03436	8.2
69.07047	0.4
69.58073	0.3
69.97800	1.4
70.99756	0.3
71.04975	0.7
72.96172	0.3
73.02905	1.4
79.05484	0.8
81.03423	4.6
81.07049	0.8
83.01344	2.0
85.02910	18.1
87.03284	0.4
87.04455	1.1
91.03946	0.9
91.05441	0.7
93.07069	0.9
95.04985	2.1
97.02895	7.5
98.21460	0.5
99.04439	1.4
105.03385	0.6
105.07014	0.4
107.04931	0.4
109.02892	1.9
109.06546	0.3
123.04444	5.2
127.03925	4.6
131.08545	0.6
133.02843	1.0
145.04965	3.1
149.02350	1.7
151.03909	8.2
161.02289	0.9
169.04968	13.5
175.03992	0.3
179.03403	22.0
193.04993	1.9
197.04462	100.0
198.04858	1.1
211.05983	0.5
211.13235	0.4
249.11162	0.3
266.10852	0.4
267.12289	47.7
268.12561	0.7
385.09290	0.6
429.11877	1.5
429.21185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01867	1.3
55.05501	0.8
57.03423	1.3
58.71585	0.4
61.02934	2.6
67.01851	1.1
67.05490	1.9
69.03428	7.4
71.04972	1.2
73.02913	0.6
79.05482	1.2
81.03426	3.3
81.07049	1.4
83.01331	1.9
83.04980	0.5
85.02905	18.4
86.39219	0.5
87.04459	0.9
91.03942	0.8
91.05454	1.0
93.07053	1.1
95.04951	1.9
95.08618	0.9
97.02305	0.5
97.02890	7.4
99.04442	0.6
105.03390	0.9
105.07000	0.9
107.04885	0.5
107.08569	0.8
109.02896	2.6
123.04442	4.8
123.08049	1.2
127.03903	3.5
133.02805	1.0
133.06514	2.4
145.04959	3.4
149.02330	1.2
151.03897	8.9
151.07545	11.8
161.02306	0.7
169.03531	1.0
169.04965	15.1
179.03394	21.9
193.04958	1.7
197.04454	100.0
198.04721	0.7
211.05971	0.5
265.10492	0.6
266.10983	0.7
267.12274	52.0
269.10779	1.0
364.59576	0.5
373.23962	0.6
429.11685	1.8
429.17194	1.0
429.26242	0.7
429.33432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03949	7.8
55.01863	4.4
55.05516	13.3
55.49488	1.2
57.03437	12.5
61.02917	3.5
67.05511	14.6
69.03436	28.2
69.07061	4.7
69.66922	6.7
71.01339	1.4
71.04989	6.9
73.02928	2.5
78.32529	1.1
79.05494	14.0
81.03424	84.9
81.07064	18.5
83.04987	17.6
83.08154	1.5
83.08633	21.9
85.02911	26.6
87.04475	3.0
91.05485	18.0
93.07054	12.0
95.04968	22.9
95.08633	5.9
97.02898	52.2
97.06544	4.0
97.10165	5.8
99.04429	6.2
101.02384	1.5
103.03947	2.2
103.05463	1.2
105.07030	14.3
107.04970	6.0
107.08606	7.0
109.02863	12.9
109.06506	3.4
109.10146	2.2
111.04460	7.4
111.08097	9.7
119.08584	14.7
121.06516	2.2
121.10171	6.8
123.04414	2.2
123.08051	2.5
125.09654	4.1
127.03935	13.9
129.05478	5.3
129.06981	9.0
131.08617	8.4
133.06517	3.1
133.10164	7.2
137.09653	1.8
142.07767	2.0
145.10075	1.8
147.08076	4.5
147.11697	13.5
149.02359	2.4
149.09641	4.7
151.03844	1.4
151.07448	1.7
153.12799	1.3
157.10162	10.9
163.11180	2.8
163.43839	1.2
165.12775	3.6
175.11188	14.3
179.03400	3.8
181.12302	1.9
183.06569	3.5
191.10677	2.8
193.04915	2.8
193.12263	64.2
197.04483	17.7
201.07570	2.4
211.13306	100.0
217.12332	1.3
227.12799	6.6
229.14384	5.0
237.07666	1.5
249.14920	7.3
265.14490	1.6
267.12265	8.9
267.15930	4.0
269.10678	1.8
285.17004	19.8
290.00458	1.2
301.14191	2.7
313.16595	2.5
319.15521	1.5
337.16534	4.0
355.17563	4.9
393.19193	1.7
411.20511	5.9
429.21255	99.2
430.21286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97172	0.8
52.56401	0.9
53.03939	3.3
55.01867	4.2
55.05517	6.1
56.96565	1.1
57.03197	0.9
57.03447	9.1
61.02930	11.2
67.05194	1.0
67.05511	12.3
69.03439	12.7
69.07059	3.6
69.54716	4.1
69.55136	1.7
70.06594	5.8
71.01366	1.5
71.04993	2.1
72.08131	2.0
73.02921	6.3
76.58841	0.9
77.49958	0.9
79.05497	10.8
81.03426	41.6
81.07063	9.5
83.04986	6.5
83.08627	7.8
84.08139	4.4
85.02446	1.6
85.02919	22.4
85.06535	1.4
86.09715	10.0
91.03971	6.8
91.05480	12.7
93.07055	8.9
95.04976	28.0
95.08617	5.9
97.02302	1.4
97.02899	18.5
97.06532	1.7
97.10164	2.8
99.04459	2.7
101.02386	2.4
103.03936	2.9
105.03394	1.3
105.07039	9.0
107.04972	6.6
107.08617	4.7
109.02883	6.9
109.06522	3.1
109.10146	1.7
110.07157	1.0
111.04442	4.2
111.08082	4.1
117.07030	4.3
119.04926	1.4
119.08597	8.4
120.08145	1.2
121.02924	1.2
121.06519	5.4
121.10136	4.0
123.04427	14.9
123.08073	1.5
125.09622	2.4
126.09137	1.5
127.03934	7.0
129.07039	3.4
131.04930	1.4
131.08606	6.3
133.06493	3.3
133.10136	4.3
133.65063	1.0
135.04453	1.7
135.05487	1.0
135.08075	1.9
135.11687	3.7
136.07497	1.0
137.05972	2.6
137.09639	1.6
143.08568	2.3
145.04938	2.3
145.06454	1.5
145.10109	6.0
147.04442	4.8
147.08029	3.3
147.11713	5.3
149.05966	2.1
149.09625	2.3
153.09064	1.9
155.03423	1.3
157.10098	3.9
161.05994	2.0
161.09567	2.0
163.11200	7.0
169.04971	0.9
171.08069	1.3
171.11743	2.1
173.05919	1.3
173.09590	3.6
175.11267	5.7
181.10117	1.6
189.05518	2.6
189.11247	1.5
189.12781	2.7
191.07013	1.3
191.10767	1.6
193.12274	18.3
197.04478	5.2
199.18060	1.8
203.14023	1.3
205.12193	3.0
207.13826	3.5
211.13329	18.1
217.12260	2.5
226.10777	1.2
227.17580	2.4
235.13292	25.7
249.07820	2.3
249.14929	4.8
251.09178	3.8
253.14409	2.4
259.13474	5.0
267.09052	11.8
267.11566	1.8
267.15945	12.0
268.11835	6.9
273.14816	8.6
277.14340	3.8
285.09973	5.3
285.16940	4.1
301.14410	8.0
309.10208	6.0
309.16977	13.2
319.15460	1.9
333.17023	1.2
337.16510	2.8
351.17902	2.9
375.18082	8.5
393.19257	6.8
411.19913	4.5
429.15143	100.0
429.21155	27.9
429.30276	1.6
430.16925	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.44451	0.5
55.05516	3.3
57.07076	17.3
62.82270	0.5
67.05513	5.7
69.07077	4.0
69.81494	0.8
69.81905	2.3
71.08633	11.7
79.05480	2.2
81.07056	7.4
83.05000	0.7
83.08632	3.0
85.10183	6.9
91.05467	1.9
93.07043	2.5
94.88256	0.6
95.08162	0.5
95.08622	6.6
97.10164	1.8
98.21467	0.7
105.07051	2.8
106.56238	0.6
107.08589	5.9
109.10162	6.2
111.04441	0.9
111.11732	0.9
113.00031	0.6
117.07052	0.7
118.61691	0.6
119.08595	3.1
121.06539	1.4
121.10142	4.0
122.07265	0.7
123.08054	0.9
123.11706	1.4
125.06009	0.8
125.13287	0.6
129.06851	0.6
131.08563	2.3
133.10121	2.1
135.08061	5.8
135.11694	3.1
135.12585	0.6
137.05988	0.9
137.09615	11.1
137.13292	1.0
139.07538	2.8
144.09416	0.7
145.10100	2.7
147.11681	1.0
149.08421	0.8
149.09625	15.4
151.07599	1.1
157.10104	1.0
159.08057	1.0
159.11678	2.9
160.08826	0.8
161.09581	1.1
162.06763	1.4
163.07449	0.6
163.11191	24.6
165.09116	100.0
166.09523	1.0
169.02567	0.9
172.08748	0.7
173.09631	2.2
173.13269	2.5
174.10410	0.8
175.11166	6.4
176.08334	2.2
177.09113	13.2
177.12701	1.8
179.10703	2.3
186.10435	1.0
187.11200	4.0
187.14838	1.1
189.09114	1.4
189.12785	2.4
190.09863	1.6
191.10681	12.3
191.14363	0.8
193.12416	0.5
201.12743	3.9
203.10703	1.9
203.14368	1.6
204.11469	0.9
205.12263	11.7
215.14336	2.4
219.13805	4.5
233.15387	2.8
247.16940	1.4
261.18674	1.1
275.19885	1.3
289.21667	1.8
303.23117	1.7
317.24887	0.9
359.29300	1.2
373.30905	0.7
401.34189	2.7
411.36237	3.0
429.32175	3.1
429.37283	58.9
430.37805	1.9
448.87454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50916	0.6
51.94156	0.5
53.03946	1.0
54.10411	0.5
55.01870	0.7
57.03420	1.1
61.02935	2.5
62.86771	0.5
67.05501	1.4
69.03436	7.1
70.06582	1.1
70.87656	1.2
71.04960	0.9
73.02925	0.7
77.14040	0.5
81.03413	2.8
81.07057	0.9
84.08144	8.3
85.02910	12.8
87.04481	1.0
91.03941	0.8
97.02896	5.2
99.04459	1.0
107.04946	0.7
109.02879	1.8
109.06543	1.2
113.02446	0.6
119.08051	0.6
121.06532	0.7
123.04479	1.0
126.09138	4.0
127.03899	2.4
130.84280	0.5
135.08035	0.7
145.04936	1.1
145.06561	0.5
149.02296	0.5
151.03864	1.0
155.03403	7.7
163.03865	0.6
163.07532	2.0
167.03442	0.9
169.01317	1.3
169.04987	2.5
169.06203	0.5
170.03084	0.5
173.06003	2.6
179.03438	4.8
181.04993	2.4
185.04457	1.0
187.07570	0.9
190.08662	0.7
191.07043	4.7
197.04471	25.5
205.05113	0.6
208.09680	0.6
209.04471	1.0
209.08090	4.3
215.07130	0.8
226.10785	6.9
232.09592	0.9
233.08209	3.3
250.10681	0.6
251.09151	24.4
268.11819	49.7
413.14441	2.1
430.17136	100.0
431.17599	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01271	0.4
70.06586	0.9
70.71633	0.5
70.71959	0.6
79.05498	0.7
84.04552	0.4
88.11270	1.5
91.05473	0.6
93.07040	1.0
98.97581	0.4
103.05464	5.5
107.04939	2.0
119.11780	0.4
120.08112	100.0
121.06470	0.6
121.08472	0.5
131.04935	2.1
136.06190	2.6
149.06000	1.7
158.24765	0.4
166.08650	51.7
248.66237	0.4
372.46207	0.4
393.08389	0.4
445.51501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51405	0.3
52.58000	0.4
55.05502	0.7
57.07085	2.0
67.05510	2.6
69.07060	1.0
69.49833	2.2
71.08640	2.3
79.05496	0.5
81.07065	1.6
82.07367	0.4
83.04991	0.4
85.10191	0.7
91.05512	1.0
93.07045	1.5
95.08595	1.1
100.37702	0.3
105.07049	0.4
107.08588	0.7
108.09399	0.6
109.10163	5.1
110.10453	0.3
111.04410	0.4
113.37556	0.4
117.07037	0.5
119.08582	3.2
121.05670	0.6
121.06522	10.8
121.10126	0.6
122.07291	1.8
123.08133	0.4
125.05994	0.5
131.08569	0.5
133.10106	0.4
135.08076	1.4
135.11649	0.4
136.08850	13.9
137.05975	0.5
137.09639	14.2
138.09982	0.5
139.07693	0.3
145.10103	0.5
149.06024	0.6
149.09627	3.1
150.09969	0.7
151.07555	0.6
152.08276	0.6
159.11684	0.7
162.06752	0.4
163.11223	2.4
164.08359	31.0
164.11490	0.9
165.09131	100.0
166.09483	7.9
173.09578	0.6
173.13281	0.4
175.11098	0.4
176.11511	0.5
177.09113	2.8
177.12785	0.8
178.09648	0.9
179.10719	0.4
187.11208	0.9
190.09853	1.3
191.10738	1.7
192.11055	0.7
205.10460	0.6
205.12280	7.5
206.12596	0.9
219.13799	0.8
220.14128	0.5
248.71094	0.4
387.32468	0.4
430.38058	66.4
431.38638	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0976
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
61.06389	0.2
68.99786	0.4
69.34089	2.0
73.02919	12.4
79.05478	0.3
81.03381	0.3
85.02909	0.6
87.04466	1.1
105.03400	0.6
107.04942	0.3
109.02861	0.3
111.00794	0.7
121.02860	2.7
127.03873	0.3
128.34544	0.2
133.02853	0.6
137.02353	0.6
139.54063	0.3
147.04375	0.4
153.01834	3.6
157.06467	0.3
163.16521	0.3
165.01846	1.9
171.04425	0.3
183.02898	0.7
185.05980	0.6
201.24677	0.3
213.05435	1.3
231.06476	0.6
241.04977	0.9
251.09067	0.5
258.05316	1.6
259.05942	0.3
269.17490	0.4
286.04739	0.4
287.05502	100.0
288.05804	1.0
291.02713	0.3
330.45715	0.2
347.87872	0.3
381.42740	0.3
400.65497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
51.88377	0.5
53.91490	0.5
56.96573	0.4
57.03436	0.6
57.72095	0.4
60.56166	0.4
61.02921	0.6
71.03181	0.7
71.03521	0.6
81.07038	0.6
85.02911	0.5
86.92364	0.5
93.07031	0.5
99.42834	0.4
107.08611	0.5
118.41798	0.5
119.50925	0.5
121.10106	0.5
148.41290	0.4
159.08031	0.9
165.07014	0.7
193.06543	2.4
210.06815	0.9
211.07597	1.7
221.05937	2.7
223.07550	0.7
226.06377	0.7
227.07072	5.7
229.05028	2.9
235.07607	0.8
237.05560	0.9
238.06351	1.0
239.07068	11.0
240.07750	0.6
241.08556	1.1
243.06534	1.7
251.07040	3.9
253.08588	0.8
255.06573	2.9
256.07352	7.5
257.08051	1.1
263.07016	1.2
265.08588	0.8
267.06555	50.0
268.07007	0.9
269.08127	4.2
277.08673	1.7
279.06598	4.0
280.07288	1.6
281.07925	2.3
282.05505	0.5
283.06107	1.5
292.07217	0.6
293.07959	2.3
295.06058	31.3
295.09192	1.1
296.06860	2.8
297.07562	7.1
305.08063	1.1
307.06061	2.4
308.06992	0.8
309.07654	2.0
311.05542	73.6
312.06036	1.5
321.07748	1.1
322.08328	0.8
323.05496	4.0
323.09244	3.0
324.06238	1.3
325.07117	17.1
335.05563	1.3
337.07031	2.3
339.08691	0.9
349.06989	0.9
351.08609	3.5
353.06631	2.2
367.08194	16.6
385.09222	10.0
395.07660	10.1
403.10617	1.1
413.08728	52.1
414.09143	0.8
431.09805	100.0
432.10138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	2.9
69.43708	9.4
70.06586	3.0
72.08141	2.9
76.02258	1.6
81.03402	1.4
85.02901	4.1
86.09722	7.1
87.10064	1.3
98.20741	2.9
104.67223	1.5
106.05034	2.2
110.07121	2.0
119.07377	2.2
120.32230	1.3
121.75692	1.4
147.04439	2.6
150.43567	1.6
152.06245	3.1
153.07010	6.2
165.07005	12.8
166.07722	4.0
167.08575	40.6
171.08105	10.0
177.07013	19.5
178.07780	21.4
179.08572	10.5
181.06526	4.1
181.10117	4.5
182.07394	1.8
183.08086	2.6
184.08797	1.4
190.07814	5.7
191.06932	2.8
191.08572	39.2
193.06482	2.6
193.08679	1.3
193.10220	12.6
194.07306	8.3
194.09625	4.4
195.08070	49.1
197.09587	3.4
199.07550	5.9
201.07040	3.1
202.07787	7.6
203.08563	8.8
205.06395	2.9
206.07300	2.9
207.08070	6.2
208.08884	12.0
209.09669	14.3
211.07544	2.1
212.10799	8.3
217.08871	2.5
218.07364	4.1
218.09715	5.3
219.08070	77.3
220.08670	5.6
221.09679	25.5
222.09081	3.6
223.07555	29.4
225.09160	11.3
227.07080	12.8
229.07637	6.8
234.07573	1.9
235.06012	4.6
236.10725	78.7
237.09146	26.5
238.12286	41.0
240.10199	46.9
241.08627	8.2
247.07565	13.7
249.09146	2.1
251.07080	10.0
252.08650	3.5
254.11787	60.0
264.10129	7.0
265.08621	51.5
267.10086	2.5
269.08115	21.3
272.81641	1.4
282.11267	100.0
283.09589	7.5
284.12845	2.6
286.10593	3.8
287.05560	2.8
293.08063	3.5
300.12317	51.9
311.09143	22.8
314.62283	1.8
328.11813	82.9
329.10223	1.8
342.13370	27.0
346.12909	22.3
369.05423	1.8
369.09702	6.3
371.11444	1.6
386.12378	58.5
388.13837	11.4
414.13916	3.4
432.12921	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41366	0.5
69.07070	1.4
70.06573	0.5
70.10751	2.0
71.08626	0.5
71.14958	0.5
72.08162	0.7
79.05482	0.6
84.08141	0.7
85.02913	1.1
86.09712	0.8
88.11300	3.1
91.05487	0.8
93.07081	0.8
95.04021	0.5
103.05475	6.1
107.04976	1.2
120.08122	100.0
121.08460	1.9
131.04970	2.6
145.05060	0.5
146.11151	0.4
149.05988	2.3
153.74545	0.5
166.08664	50.6
167.08978	0.9
168.09172	0.6
219.08072	1.2
236.10756	1.1
240.10352	0.7
249.87868	0.6
282.11407	1.0
328.11942	0.8
347.79019	0.5
364.64880	0.5
386.12259	0.9
394.12863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22500	1.6
53.03930	2.2
55.01850	2.4
55.05512	9.2
57.03438	2.0
57.07062	1.9
61.02921	2.6
67.05508	14.5
67.76125	1.9
69.03443	2.4
69.07063	4.5
69.28822	15.2
71.04987	6.6
79.05497	15.9
81.07061	100.0
83.08598	3.2
84.04481	1.9
85.02924	14.9
86.00613	2.2
87.04478	2.5
91.05457	8.0
93.07054	20.9
95.05000	3.2
95.08602	44.7
97.02893	4.9
97.06550	3.0
97.10168	6.0
99.04399	2.5
105.07034	33.1
107.08607	29.9
109.06490	2.5
109.10153	19.4
111.08092	4.4
113.06001	2.5
118.06547	2.0
119.08585	48.5
121.06520	2.2
121.10180	11.9
123.08067	2.8
123.11713	33.6
125.09617	3.1
125.25723	2.0
127.03864	2.4
133.10141	30.6
135.08055	2.9
135.11710	23.5
136.12549	2.4
139.07498	2.4
147.11707	12.4
153.09084	5.3
157.10126	3.5
159.11716	5.8
161.09628	4.2
161.13258	50.8
175.11179	2.7
176.14351	32.0
189.16393	96.5
199.14806	3.3
202.09009	2.8
209.00774	2.3
211.09647	2.1
217.15923	19.2
235.16936	72.2
235.19328	3.6
253.80437	1.8
257.70511	1.8
287.05530	14.6
389.82166	2.1
395.87579	2.0
432.23947	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	432.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05498	0.4
56.17683	0.4
57.06880	0.3
57.07076	3.5
67.05501	1.2
69.07066	0.6
69.77274	1.3
69.77682	1.1
71.08635	3.2
81.07047	1.4
83.08609	0.9
85.10173	1.2
91.05487	5.0
93.07047	8.4
95.04962	1.2
95.08604	1.4
97.10164	0.6
103.05471	5.1
105.04528	0.7
107.08540	0.5
109.10168	0.8
115.76356	0.4
119.08597	2.6
121.06506	100.0
121.30293	0.4
138.09143	23.8
139.47766	0.4
157.81302	0.4
169.07414	0.5
218.00833	0.4
356.60242	0.4
432.38388	33.7
433.38620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.85172	0.5
55.05530	0.6
57.03451	3.2
61.57064	0.5
63.05716	0.5
64.66566	0.4
67.51617	0.5
68.99817	0.7
70.77039	1.0
70.77380	1.1
71.05003	26.9
72.82955	0.5
85.02917	26.9
87.04475	0.7
111.04452	0.8
121.02866	1.7
129.05511	6.8
137.02341	1.1
141.94009	0.6
147.04346	0.7
147.06573	0.9
153.01862	2.7
165.01842	1.6
213.05490	1.5
258.05252	0.6
287.05539	100.0
288.05795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01878	1.0
57.03391	0.7
58.68169	0.7
61.02910	1.5
67.05495	0.8
69.03422	2.2
69.85197	3.9
70.06593	6.5
70.12622	0.9
71.04974	0.8
72.08144	2.8
79.05499	1.2
81.03424	1.2
81.07059	1.7
84.08140	9.2
85.02894	3.5
86.09688	3.0
88.04002	1.1
91.05486	1.9
93.07005	0.9
94.06573	1.3
95.08620	0.9
97.02903	1.7
98.20815	1.1
105.06989	1.3
109.02905	1.2
109.06502	0.8
119.04932	3.8
120.08134	1.7
121.02868	10.1
123.04438	1.0
130.08641	0.9
139.85818	0.8
141.01804	1.3
145.02831	3.0
146.06023	1.3
147.04364	1.1
147.06265	1.3
149.02316	1.3
150.77437	0.8
151.03952	1.2
163.03922	4.4
165.01836	13.6
165.19208	0.7
167.03426	2.5
169.13348	0.8
175.03906	1.0
177.01909	1.5
179.03481	0.8
181.04984	2.3
183.02946	3.8
187.03870	1.9
189.01784	1.2
191.03346	1.6
195.02902	1.3
198.04811	1.5
199.04808	1.2
200.05206	1.1
205.04948	1.6
208.62329	0.9
215.03314	1.1
217.13408	1.6
227.07239	0.8
229.04926	1.4
243.02855	1.7
245.12912	1.5
252.09447	1.0
253.09842	1.2
254.09894	1.3
255.06410	1.6
256.07257	1.2
267.06525	8.4
269.12189	1.8
270.05270	3.1
270.12366	1.6
271.06033	7.6
271.12640	0.8
279.06595	1.6
281.08118	6.7
283.06030	100.0
284.06787	14.8
285.07428	1.3
287.05582	1.1
287.08936	0.9
295.05994	12.0
295.09512	3.0
297.07553	4.8
305.07950	2.4
307.06000	2.2
308.06790	2.9
309.04132	1.8
309.07520	21.7
311.05331	1.3
313.07068	76.8
314.07303	0.9
314.18805	0.8
321.07556	3.1
323.05566	1.5
323.09082	17.0
333.07526	3.2
337.07074	37.5
343.08069	1.5
349.07077	11.3
351.08691	2.3
361.07092	8.7
367.08154	28.5
379.08093	20.0
397.09195	25.4
397.30624	2.3
415.10254	21.8
433.11200	23.6
433.18039	9.7
433.32498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03391	0.7
58.68169	0.7
61.02910	1.5
67.05495	0.8
69.03422	2.2
69.85197	3.9
70.06593	6.5
70.12622	0.9
71.04974	0.8
72.08144	2.8
79.05499	1.2
81.03424	1.2
81.07059	1.7
84.08140	9.2
85.02894	3.5
86.09688	3.0
88.04002	1.1
91.05486	1.9
93.07005	0.9
94.06573	1.3
95.08620	0.9
97.02903	1.7
98.20815	1.1
105.06989	1.3
109.02905	1.2
109.06502	0.8
119.04932	3.8
120.08134	1.7
121.02868	10.1
123.04438	1.0
130.08641	0.9
139.85818	0.8
141.01804	1.3
145.02831	3.0
146.06023	1.3
147.04364	1.1
147.06265	1.3
149.02316	1.3
150.77437	0.8
151.03952	1.2
163.03922	4.4
165.01836	13.6
165.19208	0.7
167.03426	2.5
169.13348	0.8
175.03906	1.0
177.01909	1.5
179.03481	0.8
181.04984	2.3
183.02946	3.8
187.03870	1.9
189.01784	1.2
191.03346	1.6
195.02902	1.3
198.04811	1.5
199.04808	1.2
200.05206	1.1
205.04948	1.6
208.62329	0.9
215.03314	1.1
217.13408	1.6
227.07239	0.8
229.04926	1.4
243.02855	1.7
245.12912	1.5
252.09447	1.0
253.09842	1.2
254.09894	1.3
255.06410	1.6
256.07257	1.2
267.06525	8.4
269.12189	1.8
270.05270	3.1
270.12366	1.6
271.06033	7.6
271.12640	0.8
279.06595	1.6
281.08118	6.7
283.06030	100.0
284.06787	14.8
285.07428	1.3
287.05582	1.1
287.08936	0.9
295.05994	12.0
295.09512	3.0
297.07553	4.8
305.07950	2.4
307.06000	2.2
308.06790	2.9
309.04132	1.8
309.07520	21.7
311.05331	1.3
313.07068	76.8
314.07303	0.9
314.18805	0.8
321.07556	3.1
323.05566	1.5
323.09082	17.0
333.07526	3.2
337.07074	37.5
343.08069	1.5
349.07077	11.3
351.08691	2.3
361.07092	8.7
367.08154	28.5
379.08093	20.0
397.09195	25.4
397.30624	2.3
415.10254	21.8
433.11200	23.6
433.18039	9.7
433.32498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37778	1.2
51.85648	1.1
56.05040	14.1
57.03435	2.1
58.06599	4.1
65.33079	1.2
66.86934	1.1
69.03419	3.3
69.07072	1.3
69.53168	7.0
69.53586	2.1
70.06579	2.8
72.08150	3.0
74.06083	100.0
76.02214	2.1
81.03442	1.4
82.06577	1.5
84.04508	43.1
84.08127	1.2
85.02911	6.5
86.09708	82.5
87.04510	1.3
90.05578	7.0
96.04479	2.6
97.02876	2.6
98.20759	2.0
99.09226	1.4
102.05549	25.3
110.06018	1.3
113.07124	2.8
116.07069	2.6
127.08681	2.2
129.06596	7.1
130.05035	2.2
132.10223	1.2
132.95807	1.7
133.04936	1.4
141.06577	6.4
145.04901	1.2
145.09724	3.1
151.07529	3.6
152.10712	6.6
155.08124	2.9
163.03931	3.6
170.11777	7.4
173.09239	14.2
179.04825	2.1
187.14442	1.8
191.10271	75.6
197.12859	20.2
201.08740	3.0
215.13913	45.0
219.13490	1.4
223.05624	1.7
224.06328	1.8
225.12340	10.1
234.99126	1.5
242.07413	2.2
243.13408	18.6
249.06921	1.4
252.95682	2.6
286.08447	1.7
286.17502	1.5
287.05521	2.0
298.17490	2.9
302.10233	1.7
308.09088	2.6
308.16031	2.1
319.08105	1.2
326.17090	20.1
344.18112	5.9
351.20447	6.0
379.20123	1.6
397.20837	22.2
415.13110	1.9
415.21722	6.2
433.16949	22.7
433.22656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54284	1.2
52.92036	1.3
53.03939	2.6
55.05520	11.2
56.91286	1.3
57.03444	11.5
57.07062	2.2
67.05508	46.6
69.07073	9.8
69.18705	13.4
69.68399	1.3
71.04990	1.9
79.05073	2.0
79.05501	27.4
81.07061	55.1
83.08617	5.7
84.08124	1.3
85.06545	1.8
91.05486	15.4
93.07050	35.0
95.04975	2.2
95.08616	39.8
97.10179	2.9
98.98474	61.2
101.06740	1.2
105.07040	14.1
107.08605	23.0
109.06464	1.5
109.10176	19.2
117.07024	4.9
119.08584	11.8
121.10149	15.7
123.11707	8.4
131.08569	11.2
133.10138	7.6
135.08112	1.7
135.11690	15.0
135.68808	1.2
137.13269	2.8
145.10127	9.1
145.61697	1.4
147.11687	6.1
149.13251	9.1
151.14914	1.7
155.01021	7.5
159.11710	7.6
161.13216	6.7
163.14816	5.3
173.02113	10.1
173.13297	6.4
175.14891	2.5
187.14868	3.3
201.16441	1.2
233.22746	1.8
243.21118	12.1
261.22177	43.0
279.23129	1.9
287.05533	4.5
317.24738	8.8
335.25818	100.0
390.17053	4.0
433.22491	2.1
434.23093	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.35321	1.0
53.03951	1.7
55.01871	1.7
55.05512	10.3
57.03433	9.7
57.07082	2.2
65.03936	2.0
67.05511	47.5
69.07067	12.6
69.91761	0.8
70.69890	2.3
70.70240	1.3
71.05007	2.0
72.48301	0.9
75.04495	1.5
79.05069	1.8
79.05503	24.5
79.05954	1.2
81.07062	49.5
82.07372	1.2
83.04926	1.1
83.08626	3.5
85.06532	1.6
91.05482	12.3
93.07050	34.6
95.05003	1.3
95.08616	36.4
97.06546	2.3
97.10184	1.8
98.98476	59.7
99.08154	1.1
102.75015	1.0
105.07026	12.6
107.08604	22.5
109.06542	1.4
109.09480	1.5
109.10168	18.8
111.08084	1.3
117.07035	4.4
119.08593	11.3
121.10149	15.2
123.08080	1.4
123.11710	9.2
131.08583	8.9
133.10135	7.9
135.11722	12.8
137.13284	3.7
139.11176	1.4
145.10112	7.4
147.11694	5.7
149.13272	11.1
151.14839	1.1
155.01039	7.8
159.11713	5.6
161.13275	4.3
163.14853	7.9
171.11763	1.4
173.02144	13.7
173.13255	5.9
175.14874	2.2
177.16417	2.4
187.14868	3.7
201.16284	1.3
230.51820	1.0
233.22546	1.4
243.21117	13.6
261.22168	39.6
279.23203	1.5
286.28091	1.0
287.05328	2.4
297.64615	1.0
317.24756	7.2
335.25809	100.0
336.26230	1.5
415.22391	2.4
433.23770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.58109	0.7
55.01862	1.0
57.03428	2.8
58.51588	0.8
58.99577	1.0
60.04531	0.9
61.02920	3.2
69.03432	13.7
70.06580	2.1
71.04996	1.0
72.08167	5.0
72.63657	0.7
72.89330	0.8
73.02924	1.4
76.02237	5.7
81.03418	3.9
81.07059	1.2
84.04499	4.4
84.08146	1.0
85.02909	22.5
86.09720	2.8
88.27486	0.8
91.03944	1.4
97.02903	9.4
99.04446	1.1
105.04350	0.9
109.02885	1.7
109.06522	1.0
116.01717	1.4
121.02869	1.5
123.04426	0.9
127.03909	3.6
130.04984	1.0
130.93222	0.7
135.04456	1.4
139.03894	1.9
142.03217	0.8
145.04980	2.8
147.04475	1.4
148.03918	1.3
149.02338	2.8
152.01706	1.1
162.02223	2.4
163.03918	6.3
166.04993	4.6
167.03455	5.6
170.02759	1.1
173.02344	3.3
177.03278	1.6
179.04861	4.4
181.04976	5.7
190.04948	1.6
191.03429	7.8
194.36885	0.8
195.02893	4.7
197.04581	0.9
208.06076	9.2
209.04465	94.0
219.02936	4.0
226.07103	9.9
230.06599	1.4
233.05966	2.1
236.05548	1.7
237.03979	13.5
254.06650	21.4
255.05008	20.6
272.07669	100.0
273.08023	0.8
287.06970	1.7
305.10117	1.0
308.09079	2.7
315.37015	1.0
348.99432	1.1
388.12390	1.3
416.11752	0.9
434.12988	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	434.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01865	1.2
56.05005	0.8
57.03421	3.5
58.99580	1.1
59.04993	0.9
61.02932	2.2
69.03437	15.1
70.06584	2.4
71.04978	2.6
71.51781	0.7
72.08160	1.8
73.02923	3.8
76.02229	8.9
81.03423	6.3
81.07037	2.8
84.04510	3.4
85.02899	6.8
86.09708	1.2
87.04438	0.9
89.15382	0.8
90.11976	0.8
94.06577	1.1
95.04958	1.0
97.02894	2.6
99.04465	8.0
99.57424	0.8
105.03367	0.9
108.92853	0.8
109.06531	1.3
113.05994	1.8
115.03880	0.9
116.01694	1.7
116.07084	1.7
117.05515	4.5
118.06538	4.3
120.04477	16.2
120.08114	1.1
122.06027	4.8
123.04436	0.9
127.07539	1.0
130.04979	2.4
130.06519	1.3
132.04462	40.5
134.06015	4.4
138.05522	4.7
144.01175	1.6
146.06009	5.2
150.05508	15.6
154.06572	1.1
155.96230	0.9
158.05946	2.2
162.02205	3.3
163.03906	2.5
170.06032	1.0
172.07582	7.7
177.03273	1.2
179.04813	7.6
190.08623	2.1
191.03458	1.2
200.07115	4.2
209.04477	7.9
218.08127	16.1
233.05884	1.9
236.09085	3.4
237.03952	1.6
254.10248	7.8
255.04985	2.2
272.07828	7.1
272.11298	100.0
286.64359	0.9
308.09097	4.6
434.17325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03439	22.8
59.05005	5.6
60.04512	2.5
61.02921	4.0
69.03434	80.7
69.53146	6.6
70.06594	2.6
71.01367	1.6
71.04985	1.7
73.02920	2.4
74.02438	1.1
74.47013	1.2
81.03416	4.7
85.02910	90.7
86.09676	1.4
87.04476	54.3
91.03969	2.7
97.02899	77.4
98.20751	1.7
99.04447	3.2
103.03944	1.9
105.07034	7.9
109.02876	4.7
111.04446	1.8
112.43276	1.1
115.03938	100.0
116.07102	1.3
120.08083	1.3
126.22540	1.1
127.03920	19.1
133.04974	99.8
145.04971	36.0
145.06117	1.2
147.08046	1.9
150.07629	15.2
157.94017	1.0
163.05998	14.2
169.05000	1.5
171.08081	1.5
189.09064	1.7
193.04997	1.1
201.09187	2.4
205.07162	1.8
219.10164	2.6
223.05974	2.6
241.06987	3.0
242.34584	1.1
255.12198	2.2
259.08133	6.9
265.10837	1.7
277.09244	2.2
285.13373	6.7
295.10236	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	435.0927
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.13623	0.3
55.01895	0.5
57.03436	1.0
61.02921	1.4
65.51225	0.4
68.99799	0.8
69.03421	1.6
69.85540	2.1
73.02924	10.4
81.03447	0.5
85.02911	1.6
86.09702	0.8
91.05486	1.4
95.04992	0.5
97.02902	0.9
98.20857	0.7
105.03400	0.6
105.07079	0.4
109.02892	0.6
111.00806	0.9
115.03941	1.2
119.04968	3.2
121.02834	2.0
123.04424	3.9
135.04396	1.2
137.02322	3.1
147.04417	12.8
149.02385	0.5
153.01852	4.3
163.03911	1.4
165.01862	2.0
179.03409	3.4
181.04907	0.6
183.02878	0.8
195.02919	0.8
201.05521	1.9
215.03462	0.4
219.06714	0.5
229.05009	4.3
247.06007	0.6
255.06651	0.9
257.04520	2.6
269.08209	0.8
271.06018	3.4
273.07538	2.1
274.04807	0.6
279.43192	0.4
285.04001	1.4
287.05591	0.7
303.05005	100.0
304.05353	1.3
325.07016	1.0
435.16245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03437	0.6
61.02936	1.8
66.70750	0.2
67.51661	0.2
68.99782	0.5
69.03414	0.4
70.85233	0.4
70.85550	0.3
71.01357	0.6
73.02924	14.6
74.20195	0.2
81.03421	0.2
85.02910	0.3
85.54787	0.2
93.03468	0.3
98.17398	0.2
109.02852	0.5
111.00800	0.8
115.03934	1.0
116.23499	0.2
117.70695	0.2
117.72571	0.2
121.02846	1.1
123.04426	0.3
131.36095	0.2
135.33936	0.2
137.01373	0.3
137.02362	3.8
149.02344	0.4
153.01834	4.2
163.03903	0.6
165.01868	2.4
173.06010	0.3
183.02930	0.8
201.05464	1.9
228.04161	0.3
229.04997	4.8
229.07079	0.4
247.06047	0.6
257.04477	2.4
274.04614	0.6
275.05508	0.3
275.74905	0.2
285.04022	1.2
303.05014	100.0
304.05338	1.5
311.13577	0.3
386.52972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.32020	0.3
58.33741	0.3
61.02921	0.3
62.55252	0.3
67.01869	0.9
67.08440	0.3
68.99780	0.7
69.03436	0.9
70.14542	0.6
70.14936	0.6
73.02924	0.9
85.02900	1.4
91.05489	2.3
91.62100	0.3
95.04988	0.7
97.02898	0.9
104.69016	0.3
107.04986	1.4
111.00794	0.3
119.04950	8.3
119.05795	0.5
120.08115	0.5
121.02931	0.5
121.06507	0.6
123.04443	2.6
134.99525	0.3
147.04419	33.6
151.03934	0.7
153.01840	62.8
154.02139	0.6
163.03914	0.3
165.01878	0.4
171.02924	1.3
179.03418	1.5
189.05493	0.7
195.02969	0.6
231.06577	0.4
255.06665	0.6
271.06049	0.6
273.07584	100.0
274.07932	1.3
285.07623	0.3
303.05042	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	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.17868	1.2
54.76887	1.3
55.05514	16.3
57.03448	9.0
57.07072	5.5
67.05507	34.2
69.07073	17.3
69.73244	5.4
69.73662	2.6
71.08656	2.2
79.05497	10.8
81.06587	2.7
81.07059	42.5
83.04953	1.6
83.08624	13.3
90.23547	1.4
91.05505	7.8
93.07045	11.0
95.08611	35.7
97.06522	2.9
97.10171	4.9
98.20834	2.0
98.98475	49.6
105.07036	4.8
107.08598	6.8
109.06521	5.1
109.10165	15.7
119.08567	6.7
121.10119	6.6
123.11710	6.8
131.08542	2.6
131.81766	1.2
133.10130	5.2
135.11710	3.7
137.09705	1.3
137.13260	2.9
145.10129	1.9
147.11745	2.3
149.13264	4.1
151.14764	1.7
155.01047	19.5
161.13287	2.4
163.14850	3.6
165.16423	1.9
173.02109	8.1
175.14824	2.2
189.16428	1.5
245.22577	9.0
263.23730	22.9
337.27380	100.0
338.27780	1.5
376.58218	1.5
422.65158	1.6
435.28998	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05519	23.4
57.03423	12.1
57.07065	11.0
67.05508	71.6
69.07079	31.7
70.06570	4.0
74.64333	3.4
79.05500	15.8
81.06587	6.0
81.07061	85.8
83.04995	5.6
83.08623	17.4
91.05468	20.9
93.07043	27.1
95.04997	6.4
95.07985	4.6
95.08613	78.9
97.06525	4.6
97.10164	10.9
98.98466	100.0
99.08073	5.5
105.07022	8.7
107.08598	15.1
109.06505	10.2
109.10168	34.0
109.24043	3.6
111.08080	6.5
119.08585	15.7
121.10143	16.7
123.08099	4.1
123.11707	14.4
131.08578	4.1
133.10152	9.8
135.11699	8.6
137.13211	4.9
147.11679	11.4
149.13266	7.8
151.14827	9.3
155.01054	87.0
161.13245	10.7
162.84984	3.7
163.14778	7.3
173.02100	15.5
175.14856	5.1
193.15932	4.2
245.22678	29.0
255.38828	3.8
257.08090	17.0
262.94781	3.9
263.23752	66.6
303.04822	5.7
337.14191	5.6
337.27383	89.6
435.28577	13.0
435.80072	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	437.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05519	14.2
57.03433	5.3
57.07066	3.3
63.48244	1.3
65.03941	4.5
67.01862	2.0
67.05508	95.7
68.05830	1.6
69.03413	4.3
69.07072	16.5
69.63001	3.2
69.63418	5.8
71.04977	2.9
71.08620	1.4
79.05498	33.6
79.13324	1.4
81.07061	100.0
83.04971	2.4
83.08617	8.4
85.02915	13.4
85.06536	3.0
91.05489	20.5
93.06486	2.3
93.07053	47.1
93.07634	2.6
94.35735	1.4
95.01338	53.6
95.04945	3.9
95.08611	86.0
97.02875	3.4
97.06542	6.2
97.10158	4.2
99.08103	2.7
105.07037	16.9
107.08608	29.9
109.06522	3.2
109.10162	48.0
111.08083	3.5
111.11669	1.5
113.02367	5.1
117.07025	7.3
119.08585	16.7
121.10144	28.1
123.08066	3.8
123.11712	33.2
123.27927	1.5
125.09656	3.0
129.01871	9.0
129.57663	1.9
131.08568	20.2
133.10143	12.7
133.68643	1.6
135.11703	23.9
137.09622	4.9
137.13272	13.4
139.11140	2.2
141.01833	29.5
145.10141	13.8
147.11722	10.8
149.09608	3.8
149.13263	12.8
151.11201	5.3
151.14857	5.3
153.12767	2.5
159.02875	2.2
159.11699	12.9
161.13283	12.7
163.11203	4.4
163.14804	10.1
165.12758	5.5
165.16425	1.7
173.13277	12.7
175.14822	3.5
177.03964	29.1
177.12791	4.8
177.16412	3.8
179.14311	4.0
187.14807	9.9
191.14339	4.4
191.31483	1.6
201.16428	5.2
205.15887	5.7
215.02304	1.4
217.19522	1.9
219.21075	2.2
233.22594	2.2
233.33438	1.7
236.32281	1.6
243.21085	31.3
261.22137	64.8
367.17398	2.7
381.18640	2.7
419.24362	1.9
435.16553	1.9
437.25397	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96674	1.0
55.05506	2.6
57.03424	2.9
67.05507	11.2
69.03432	2.5
69.07063	2.8
70.06653	1.1
71.05005	6.1
71.53091	1.7
72.05315	1.1
79.05478	3.4
80.05004	2.3
81.07040	3.8
84.04509	6.2
84.08150	23.0
84.32082	1.0
85.02911	12.6
85.06554	1.4
86.06060	2.7
86.09706	9.9
87.04486	2.4
91.05473	1.1
92.07046	1.1
93.07043	5.0
94.06584	2.1
95.04976	14.4
95.08598	1.7
98.06067	2.6
102.05540	1.8
103.05474	1.1
105.07043	1.8
106.06493	1.2
107.04967	13.5
107.08588	3.1
108.08118	33.1
110.06023	1.6
110.09691	2.5
112.07590	4.5
113.06012	26.4
114.05521	1.5
120.08121	20.9
121.08858	1.4
121.10153	1.4
122.09648	3.9
123.31384	1.1
124.07587	2.7
124.11217	1.2
124.18859	1.1
130.05016	14.8
130.08643	1.2
131.03366	1.4
133.10086	1.3
134.09630	2.4
135.11690	4.2
136.11176	1.2
138.09152	1.0
146.11783	2.0
149.05984	1.4
150.09154	3.2
150.12787	6.8
152.10727	9.4
152.14346	41.8
154.12251	10.9
154.15901	2.9
168.10172	1.3
169.04985	1.0
178.08635	2.2
178.15945	4.7
190.16017	1.4
196.09705	64.7
196.16963	29.4
198.11272	41.0
224.09241	2.8
235.12498	1.1
242.10251	68.6
264.16003	14.0
266.17596	1.8
274.11938	1.5
275.09177	2.0
282.17126	1.3
288.05905	1.9
289.06110	3.8
290.06314	2.9
291.06497	3.9
293.18549	1.6
308.18503	11.1
317.10583	1.3
347.23526	1.7
349.24887	3.5
375.26682	1.0
393.23730	55.0
394.24341	1.6
395.25150	2.3
419.25455	1.2
437.26495	100.0
438.26938	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	437.2664
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05510	15.7
57.03434	9.6
57.07077	5.2
67.05183	1.4
67.05509	15.1
68.71527	1.1
69.07069	22.9
70.69492	2.1
70.69849	2.7
71.08633	3.2
79.05489	6.4
81.07057	16.8
83.04998	1.4
83.08621	16.5
85.06548	1.9
85.10195	2.1
89.06062	2.2
91.05511	1.8
93.07044	10.1
95.08608	18.0
97.06522	1.7
97.10173	9.9
98.98472	41.8
106.08720	1.3
106.51981	1.2
107.08598	6.6
107.17078	1.2
109.10181	9.5
111.08093	2.7
111.11735	2.5
121.10159	9.5
122.26116	1.1
123.11729	2.6
125.09651	1.4
129.12752	1.7
131.08549	1.1
135.11697	6.9
149.13292	2.6
154.12279	1.8
155.01047	28.4
155.12624	1.6
163.14902	1.4
171.14963	1.3
173.02187	3.9
183.68639	1.1
239.14922	2.1
247.24194	5.9
265.25250	12.5
339.28946	100.0
340.29520	1.6
425.14615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23423	0.7
54.05814	0.8
55.01873	5.8
55.05513	2.1
56.05034	1.8
57.03434	1.5
58.99590	1.8
67.05498	1.3
67.57834	0.8
69.03440	1.8
69.07066	5.7
70.06583	2.3
70.10003	1.5
70.10349	2.4
74.00668	72.3
74.88930	0.9
75.00590	1.0
76.03992	2.5
79.05492	1.6
80.05009	1.0
81.07052	2.8
83.06099	2.1
84.04510	30.0
85.01117	3.3
85.02930	1.0
85.04040	8.9
86.09702	1.2
87.02675	1.3
92.01711	3.9
93.07035	1.3
97.06532	2.0
98.09702	2.0
99.08088	1.9
100.02208	29.7
101.04259	1.5
102.05544	1.4
107.99397	13.0
109.07631	1.4
112.03987	5.7
113.03484	3.1
113.04220	1.1
118.99879	28.4
121.10113	1.0
124.11254	3.5
129.03699	1.4
130.05008	29.8
131.04527	9.5
136.07503	0.8
139.11182	7.9
140.01633	1.7
145.01416	2.9
153.06587	1.5
155.08199	3.9
156.10210	1.2
157.04309	1.2
159.43646	1.0
160.00647	1.7
163.02444	2.1
177.03299	30.0
181.06094	2.2
181.12244	1.3
185.03815	2.2
188.05635	5.4
193.99400	3.5
199.07141	1.6
203.04860	23.7
206.06689	21.3
208.58257	0.8
210.11284	1.1
211.02090	12.2
228.08727	0.9
231.04387	3.3
241.14461	2.5
258.08286	0.8
265.03125	1.4
276.09360	0.8
291.08319	100.0
300.10529	0.9
309.09372	9.8
345.09348	1.9
347.93698	0.9
363.06210	1.5
363.10458	19.3
375.10379	1.7
420.13043	1.5
421.11307	1.4
438.13672	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	438.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28022	1.5
55.01863	5.0
56.05041	8.9
57.03430	4.1
58.99594	14.4
59.57926	1.6
61.01151	3.3
67.05504	2.6
67.99615	1.3
68.05026	4.8
69.03424	2.9
69.07066	1.8
69.97558	7.1
70.02950	5.8
70.06591	6.9
70.27477	1.5
71.04988	2.6
72.04515	6.1
74.00670	10.2
76.02233	20.6
76.04004	7.9
80.05016	6.8
83.06107	5.5
84.04511	84.5
85.01133	30.7
85.02905	6.8
85.04021	3.3
86.00656	33.1
86.99059	66.6
87.02707	1.8
88.02219	2.5
89.00607	3.3
95.04955	4.2
96.04476	3.3
97.01113	6.3
97.06529	15.0
98.99050	1.8
99.05595	2.6
100.02189	4.3
100.17350	1.5
102.03776	17.9
102.05527	13.0
108.04472	3.3
109.07661	2.9
112.02197	28.7
112.03936	2.3
113.06012	1.6
114.03786	11.1
114.05500	3.1
116.01692	24.2
126.03750	4.5
127.02161	4.7
127.03934	2.2
129.06607	4.5
130.03296	12.6
130.05017	31.0
130.15561	1.9
132.01100	4.5
137.08374	5.7
140.01634	3.7
142.03218	23.0
143.02751	28.8
144.01143	5.1
145.06123	4.1
152.05276	1.9
153.06607	3.5
155.08167	3.3
156.06604	5.0
158.02751	6.8
160.00699	1.7
162.02205	13.7
163.03995	2.3
164.08276	1.6
167.07037	3.2
168.04747	2.4
168.06516	2.4
169.04347	6.8
170.02681	2.0
170.06348	7.9
171.02208	7.7
172.07930	2.1
177.03288	9.9
177.05510	3.7
179.04849	8.9
179.07132	1.8
181.06116	3.7
181.08603	34.3
188.03775	2.6
188.07419	5.6
189.03300	100.0
192.07802	17.5
196.04265	9.4
199.07164	2.8
203.49026	1.6
205.06450	7.0
206.08546	3.5
215.04846	47.9
217.06451	10.6
223.09683	11.4
224.03754	4.6
231.04443	2.4
232.05090	1.9
233.05914	18.1
241.06659	1.9
241.10732	34.0
243.04358	2.3
245.05806	2.0
257.09607	3.6
269.05936	3.5
287.06989	17.1
291.10077	34.0
307.08148	3.3
309.10971	2.5
345.07663	4.1
362.09973	8.7
363.12033	1.6
397.01709	2.0
420.14255	5.6
421.15982	1.6
438.15198	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	438.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.79604	1.4
61.02943	2.3
63.37561	1.3
69.03422	4.4
69.07086	1.8
69.59200	7.9
70.06606	8.0
71.04992	1.7
73.02918	2.0
76.02221	1.5
81.03421	3.0
81.07065	2.1
83.12017	1.4
84.04519	5.1
84.08152	2.4
85.02911	20.1
86.09711	6.5
91.05490	3.7
97.02896	6.1
97.06550	3.6
97.77587	1.5
98.44185	1.5
105.07027	2.4
107.04942	1.9
116.07121	6.3
121.06519	3.4
123.04478	1.9
127.03887	2.3
130.05019	4.1
133.06531	2.3
135.04399	3.7
135.08055	2.5
136.05202	2.6
137.05998	4.2
138.06721	1.5
141.82220	1.5
145.05019	2.4
147.04436	2.5
148.05182	9.3
149.05986	6.1
151.07542	17.4
154.06302	4.7
162.06769	2.2
163.03940	3.2
163.07544	3.3
164.08359	7.5
165.05493	6.0
165.09186	2.6
165.70268	1.6
166.06291	3.3
167.06990	11.9
169.08632	3.1
169.23376	1.9
177.05486	30.5
179.07033	18.7
180.07805	9.8
181.08609	90.7
190.06244	4.3
191.07010	7.1
192.07825	94.8
193.04958	3.1
193.08485	1.9
195.06065	2.0
195.10210	7.7
196.07341	29.7
197.08054	3.9
207.10168	3.4
208.07312	5.3
209.91629	1.5
210.18558	2.7
211.09669	40.5
211.11539	2.9
223.09671	88.4
225.11266	3.6
226.08376	6.9
241.10730	100.0
277.06912	2.5
333.26700	1.7
352.85791	1.4
438.17453	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	438.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00704	1.1
57.03434	1.4
59.69191	1.1
61.02916	1.6
69.03442	6.1
70.06583	2.6
70.36518	3.9
72.08167	1.6
73.02888	1.6
74.06064	1.3
81.03445	1.8
84.04512	1.4
84.08155	2.0
85.02913	15.5
86.09718	2.4
91.05474	2.3
91.49744	1.3
95.04931	1.8
96.99408	1.2
97.02885	3.5
99.04453	1.6
104.59073	1.1
105.07050	2.4
107.04951	1.6
109.02898	1.9
109.06512	1.4
117.51041	1.1
121.06503	4.7
127.03909	2.1
136.05185	2.5
137.05945	3.9
145.04987	2.0
147.04459	1.7
148.05222	6.9
149.05997	6.7
150.06763	1.4
151.03961	1.6
151.07558	27.6
154.06273	2.0
157.88188	1.1
160.05203	1.5
162.06790	2.2
163.07526	3.7
164.08324	4.8
165.05496	5.7
166.06252	3.4
167.07066	8.3
177.05484	25.9
179.07045	32.0
180.07747	9.0
181.05020	1.8
181.08609	48.1
188.05048	1.3
189.05521	1.6
190.06255	5.2
191.07043	6.3
192.07820	94.7
193.04970	2.4
193.08395	2.1
195.10168	7.6
196.07333	37.6
197.08099	5.6
208.07263	5.1
211.09666	65.5
221.04112	1.4
223.09666	100.0
226.08362	6.0
228.96698	1.4
241.10721	74.9
243.01794	1.3
258.11252	1.6
276.12207	1.3
317.77316	1.3
344.70447	1.2
438.17288	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.03736	0.3
55.05484	0.7
56.96533	0.5
57.03399	0.4
57.07015	3.9
58.06563	0.9
61.02882	0.6
65.03883	1.3
67.05437	2.0
67.59231	0.3
69.03389	0.6
69.07029	0.7
70.06526	11.9
70.08191	0.8
70.08586	0.7
71.04935	0.3
71.08584	1.0
71.48946	0.5
73.02859	0.7
79.05502	2.6
81.03334	0.6
81.06983	1.5
83.08556	0.5
85.02859	1.2
85.10150	0.6
88.07633	16.3
91.03953	0.5
91.05424	0.8
93.06965	1.1
95.04890	0.5
95.08543	0.8
97.02846	1.0
97.66102	0.4
98.08718	0.4
98.97473	0.7
102.09186	11.3
103.03914	0.4
103.05466	3.9
105.06988	0.8
107.04954	1.7
107.08567	0.8
109.10147	0.6
119.08550	0.4
121.02837	0.8
121.10074	0.5
127.03812	0.4
131.04834	1.1
135.11615	0.5
139.03845	0.6
145.12831	0.4
149.02351	43.0
149.03439	2.2
163.11069	0.5
173.02641	0.3
176.14279	0.4
177.12717	0.4
183.70047	0.3
184.01285	0.4
193.04968	43.8
227.12787	0.4
228.13159	0.6
228.23230	40.7
229.07472	0.4
237.07578	58.2
238.07918	1.0
239.05878	0.5
253.13045	0.4
257.07047	1.3
267.09024	0.4
269.10635	0.8
272.20108	2.7
272.25742	0.8
283.08832	0.6
290.21191	1.8
310.10162	0.5
316.11740	0.9
323.10809	0.9
332.11212	2.1
420.25192	2.6
429.17935	0.5
438.28589	100.0
439.28659	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1601
Annotation	Cnidimoside A
Peak:m/z	Relative Intensity
69.03434	3.0
70.06594	2.1
71.52641	0.4
81.07051	0.4
84.04512	0.6
84.08138	0.6
84.17958	0.3
85.02908	0.9
86.09695	1.2
91.05494	0.7
91.60409	0.3
93.07052	0.5
97.02925	0.6
115.12148	0.3
120.08088	0.5
136.07588	0.6
143.55118	0.3
154.08578	0.4
176.09050	0.3
189.05481	65.7
190.06233	1.2
191.07036	6.3
203.03395	0.5
213.09045	0.4
213.12372	1.1
215.07057	1.9
217.04973	46.8
218.05249	0.5
219.02963	0.4
231.10216	1.0
233.08092	9.2
241.08499	2.7
259.09671	100.0
260.09988	0.9
277.07187	1.8
277.10687	12.0
372.30780	0.3
402.89844	0.4
421.14948	17.5
430.80670	0.3
439.16486	2.3
439.21426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29871	2.2
55.01866	11.5
56.05035	5.4
57.03433	3.6
58.99582	12.9
59.65477	2.5
61.01113	2.7
68.56866	2.2
69.94185	5.9
70.02940	4.2
70.06588	5.5
72.08132	3.1
74.00668	12.2
75.01448	5.4
76.02241	34.8
76.04012	23.2
79.01844	4.0
79.05494	3.0
80.05019	2.5
80.20945	2.1
81.07056	15.0
83.06090	5.0
84.04509	59.5
84.08125	2.8
85.01111	3.2
85.02886	3.6
85.04018	10.4
86.00633	3.6
86.99049	4.0
87.01465	3.3
87.02680	6.0
88.02197	5.6
92.01691	9.7
97.01169	2.4
97.02844	2.4
97.06532	5.7
98.09684	12.8
98.20817	3.2
99.05579	14.4
99.08088	4.7
100.02195	10.3
100.03983	6.4
102.05544	6.6
107.06100	3.3
112.03979	11.3
113.04231	6.4
113.49106	2.3
114.05537	2.9
115.00936	2.2
116.01662	23.4
125.02355	2.7
127.03951	3.0
127.05040	5.8
129.06592	4.8
130.03302	18.4
130.05013	63.5
130.06850	3.4
130.08583	3.3
130.91089	2.3
131.04509	10.1
132.03479	4.2
135.04382	3.1
140.05806	2.4
140.93260	2.4
142.03215	6.5
142.05011	4.9
143.03360	5.6
144.01149	6.6
145.06046	18.0
146.16521	2.8
147.04398	6.1
149.03767	7.6
150.05496	3.5
153.01851	59.3
153.02937	4.5
153.06577	11.2
156.08476	19.1
156.10233	11.6
157.06798	7.4
158.02734	18.2
160.00648	5.7
162.02235	19.7
168.06667	3.3
171.07672	6.8
174.09470	9.5
177.03304	84.1
178.01691	6.9
179.03377	17.2
179.04863	12.7
181.05997	3.3
185.03763	2.6
195.04353	5.5
199.07135	6.9
202.04051	8.7
203.04973	2.8
205.06429	4.4
210.11258	8.8
216.06892	6.7
220.05948	4.5
231.04295	5.4
232.05190	11.3
233.05913	5.7
245.06143	2.8
256.09113	3.1
259.11130	100.0
265.10400	2.3
271.06052	18.6
275.10559	3.0
278.10278	5.6
285.12518	3.1
288.06461	12.6
289.07330	5.4
306.07455	8.3
307.08444	13.7
313.12119	5.2
319.12552	2.7
331.04410	4.8
331.13312	3.6
380.02414	2.8
381.02744	2.8
388.15298	10.7
406.16580	11.2
434.32779	2.4
440.15543	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	440.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	13.7
55.05516	2.7
55.25261	1.6
56.05048	8.8
56.05257	1.6
57.03432	4.1
58.99588	10.3
61.01171	2.3
62.05366	1.7
67.05475	1.6
68.05026	2.1
69.07069	2.8
69.76367	9.4
70.02925	2.8
70.06587	5.3
72.08141	2.0
74.00664	14.0
75.01448	10.5
76.02231	31.2
76.04006	22.6
79.05491	5.3
81.07071	13.7
83.06107	3.8
84.04505	55.9
84.08144	2.5
85.01106	3.2
85.04039	12.2
86.00675	5.6
86.99044	4.4
87.02702	4.3
88.02218	3.2
92.01702	14.9
97.06543	5.5
98.09692	19.4
98.21367	2.0
99.05573	23.6
99.08115	1.8
100.02200	8.7
100.03986	5.1
102.00154	3.0
102.03745	2.1
102.05537	4.8
107.06082	4.4
110.09691	3.0
112.03976	11.1
113.03474	5.2
113.04230	6.1
114.03794	2.3
114.05548	2.0
115.00894	3.0
115.05832	1.8
116.01678	18.6
116.07078	2.2
127.05042	5.4
129.06560	4.4
130.03276	14.7
130.05005	67.5
130.05977	4.3
130.06853	3.7
130.08701	2.5
131.04521	13.8
135.04449	1.9
142.03233	6.5
142.04996	3.1
144.01131	5.5
145.01938	1.9
145.06091	22.4
147.04388	4.1
149.03786	4.7
153.01828	12.3
153.06598	10.3
156.08389	17.0
156.10193	15.4
157.06781	6.7
158.02757	11.4
160.00668	6.1
161.01463	2.6
162.02177	13.2
163.03889	6.6
168.05309	5.1
171.07661	4.3
174.09459	3.4
177.03297	100.0
178.01718	7.3
178.04044	2.5
179.03441	3.1
179.04863	4.6
181.06071	4.7
185.03842	4.5
190.08972	2.4
195.04352	6.6
199.07072	10.1
202.03995	10.2
205.06444	5.4
210.11148	8.7
216.06912	4.0
231.04337	7.8
232.05191	8.4
233.05919	4.5
242.05974	2.7
243.08575	2.2
249.05344	3.6
259.11127	82.1
271.05896	3.4
275.10587	4.3
278.07471	2.0
282.93353	1.9
285.12537	1.9
288.06412	10.0
289.07349	3.3
306.07629	5.0
307.08319	13.0
318.55215	2.2
381.02618	2.2
388.15356	5.0
406.16364	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	440.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.05502	5.4
57.07063	3.5
59.05002	1.5
67.05501	14.3
68.05035	14.7
69.03411	4.5
69.07066	5.7
70.06599	46.1
71.04977	1.7
71.46796	1.6
72.06544	1.7
79.05492	13.4
79.29092	1.6
80.05044	3.9
81.03423	2.2
81.07063	17.7
82.06586	2.6
83.04970	5.7
83.08635	3.8
84.08147	9.8
85.02884	1.7
85.06545	3.7
91.05479	15.9
93.05787	1.6
93.07051	15.6
94.06549	2.4
95.04959	4.6
95.08604	10.4
96.08138	13.8
97.06534	5.5
98.21524	3.5
100.07609	17.5
103.05490	1.7
105.07035	37.4
105.07692	2.8
106.56233	1.5
107.08597	14.0
108.08126	16.1
109.06516	7.0
109.10143	10.0
110.09635	1.7
111.08079	2.5
114.05509	7.7
116.07115	3.6
117.07015	10.1
118.06561	2.8
119.08586	27.7
120.08157	7.4
121.06507	3.5
121.10160	10.3
122.09660	5.3
123.08087	6.7
125.05995	2.0
125.09647	2.0
126.09232	3.8
128.06239	2.5
128.07085	28.5
129.07010	5.4
130.07750	2.7
131.08565	13.7
133.10136	12.3
134.09668	4.2
135.08078	4.3
135.11688	3.1
137.09636	8.8
141.06964	4.2
142.07759	8.1
142.08752	3.5
143.08571	17.0
144.09372	3.8
145.06532	4.4
145.09015	2.9
145.10121	23.3
146.09703	2.4
147.08046	9.6
147.11682	5.8
148.11212	10.3
149.09561	2.6
154.08647	60.7
155.08582	5.2
155.10648	3.5
156.09375	4.4
157.10152	16.8
159.08064	2.9
159.11626	8.6
160.11246	7.0
161.09584	3.9
161.13281	1.9
162.12808	6.3
163.11177	4.0
164.07062	3.8
165.09137	19.5
167.08545	2.6
168.10321	2.2
169.10094	7.8
171.11774	11.2
172.11237	4.4
173.11949	2.1
173.13242	5.3
174.12840	4.4
175.11217	4.4
178.08661	3.6
181.10054	3.7
181.12289	4.0
183.11700	11.1
185.13278	3.0
186.12761	5.3
188.14366	7.4
191.25655	1.7
192.10255	2.3
193.10005	1.8
194.11803	15.1
195.11708	5.8
197.13312	6.0
199.14825	3.9
203.14409	8.0
207.11758	5.1
209.13409	3.8
211.14903	2.1
215.14264	2.5
216.17487	1.9
218.11902	3.1
219.12587	2.1
220.13245	3.3
221.13367	2.1
221.15370	41.9
223.14784	3.2
225.12827	2.7
225.16417	1.9
225.60236	1.6
232.13338	14.7
233.54668	1.7
235.14803	2.6
238.15794	2.4
247.17023	1.8
253.15727	1.6
260.16510	5.7
271.16995	1.8
272.16446	1.7
273.14999	1.5
273.18857	1.6
281.18942	2.9
291.21100	2.6
299.20032	26.5
307.20566	1.7
309.22162	4.4
327.23322	10.0
348.21741	3.7
360.21661	12.2
367.22827	3.0
378.27942	4.3
396.29001	32.6
422.26935	3.3
440.27988	100.0
441.26956	4.7
462.07236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1394
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
53.03943	1.3
55.01865	1.0
55.05502	1.9
57.03157	1.1
57.03439	19.8
61.02926	3.0
69.03435	8.3
69.07059	0.9
69.85664	2.5
71.04988	1.0
71.08654	3.0
73.02914	1.2
78.55913	0.6
79.05473	0.7
81.03419	4.5
81.07053	1.4
82.06574	0.8
83.04959	0.7
83.08618	1.8
85.02911	26.3
85.06548	0.7
87.04437	1.4
88.11256	2.1
89.72944	0.6
91.03966	1.4
91.05483	0.7
93.61960	0.6
97.02892	9.3
99.04454	1.1
100.07623	2.4
100.11272	5.0
109.02890	2.9
110.06010	0.9
111.04468	1.9
122.09598	0.7
127.03929	4.5
128.07066	1.8
131.04929	0.9
131.08595	0.8
135.04402	0.6
145.04973	4.4
147.04475	0.9
149.06035	0.8
163.03896	1.3
166.73083	0.6
170.15402	9.4
177.05476	2.8
181.04941	1.9
182.15456	5.3
187.03909	1.6
195.06604	1.0
198.14920	6.4
205.04951	5.7
209.16502	1.5
210.14938	6.7
223.06023	69.8
227.17592	0.9
233.15250	0.7
237.07565	0.7
244.20314	2.5
261.07813	1.1
279.08649	100.0
280.09024	1.9
297.25436	1.4
300.19623	1.8
314.28110	1.2
336.22729	0.8
337.21188	1.5
354.23819	1.5
408.76251	0.7
423.33377	1.3
424.31818	4.4
425.53741	0.6
441.19971	1.3
441.28818	1.3
441.34247	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08547	0.9
55.93271	1.8
55.93528	26.0
56.94290	1.7
64.17970	0.9
70.06593	3.8
70.36453	3.2
70.95803	0.9
71.34492	1.0
71.93010	5.9
72.93788	7.3
79.01826	1.2
89.94043	1.5
90.94835	3.9
99.68990	1.3
105.93509	1.2
108.02100	14.7
116.07105	7.1
117.70844	1.0
128.96353	2.0
136.06204	1.4
137.02350	2.5
139.03923	1.3
144.95831	1.3
147.04424	2.9
150.18816	1.0
152.96298	1.4
153.01852	13.9
154.02184	6.6
157.96597	2.1
163.03857	1.9
165.97073	4.7
179.03409	4.2
180.03720	2.3
183.98210	3.0
184.95319	1.0
192.95807	2.5
194.97406	2.1
210.96886	25.7
210.98729	1.7
211.97661	2.1
212.98410	1.8
215.97179	1.2
217.39456	1.1
221.96133	1.8
224.94827	1.3
225.95604	1.9
227.97119	1.5
228.97951	16.5
233.98422	2.9
237.95602	3.6
238.96312	2.7
239.97208	7.5
241.98796	1.3
242.95969	1.3
243.96741	1.4
246.99277	3.8
251.93314	1.2
253.92453	1.8
253.95087	25.7
253.97652	1.9
256.97272	2.5
257.98245	7.8
261.97916	1.3
262.98764	37.8
271.06012	2.2
272.06390	4.2
280.08002	1.7
280.99896	7.4
299.13965	1.3
302.99442	1.1
304.00787	1.4
313.98764	1.4
317.98151	1.4
330.98996	10.8
331.99677	3.4
341.98907	2.2
342.51263	0.9
350.00714	2.1
359.99274	100.0
378.00418	4.2
401.01962	10.7
419.02951	15.1
442.04120	1.2
442.19571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01872	2.1
55.05517	2.3
57.03446	3.9
61.02930	8.4
67.05497	0.5
69.03432	16.4
69.56437	2.5
70.06587	2.5
71.01364	0.5
71.04997	5.0
72.08150	1.2
73.02930	3.6
81.03424	6.9
81.03873	0.7
81.07044	0.8
81.76027	0.3
83.01339	0.5
83.04993	0.4
83.08627	5.5
84.04485	0.5
84.08160	1.0
85.02909	100.0
85.93033	0.4
86.03220	0.6
86.09713	1.0
87.04468	2.0
91.03966	5.2
91.05459	0.4
93.07044	0.5
94.20626	0.4
95.04978	0.6
95.08626	0.5
97.02900	23.0
98.03208	0.4
98.20809	0.4
98.62598	0.5
99.04459	3.4
101.02364	0.5
101.09668	1.9
101.65151	0.4
101.65881	0.4
103.03979	0.6
105.07009	0.6
105.86109	0.4
109.02881	8.2
109.06559	0.5
111.08103	1.5
113.09660	0.8
115.03931	1.7
116.07111	0.8
121.06518	0.9
123.04489	0.4
123.08108	0.5
125.09595	0.5
127.03924	22.6
127.68605	0.4
128.24788	0.4
129.09113	1.7
129.10191	0.4
135.08035	0.5
136.87234	0.3
137.09572	0.5
139.03906	0.6
139.07571	2.6
141.09128	1.9
141.10126	0.5
144.06609	0.5
145.04965	50.4
149.09726	0.5
151.07570	1.3
153.01909	0.4
153.09164	0.4
155.10678	0.8
163.06021	23.1
167.10735	0.8
169.08681	1.0
180.08833	0.4
187.09586	0.7
197.11810	1.2
209.11732	1.9
227.12845	2.5
228.32127	0.5
245.13823	3.0
259.40518	0.4
263.14865	3.8
280.12021	0.6
313.81772	0.4
325.11383	1.2
442.17203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01873	2.8
55.05519	8.1
57.03193	1.6
57.03444	19.5
57.07080	1.2
59.04995	4.6
60.04520	1.6
60.84549	1.0
61.02933	5.6
67.05511	2.8
69.03439	67.7
69.07065	2.2
69.61785	3.3
69.62191	2.6
70.06591	4.3
71.05004	1.9
71.08645	10.5
73.02920	3.7
75.04497	1.2
80.11839	1.1
81.03428	6.1
81.07066	4.4
82.06591	3.3
83.04996	5.3
83.08633	6.4
85.02916	100.0
85.06546	3.9
87.04477	46.1
88.11285	8.2
91.03962	4.9
91.05454	1.3
93.07008	1.1
95.05010	1.3
95.08626	2.3
97.02905	68.3
98.09701	1.4
99.04460	4.1
100.07617	4.0
100.11274	20.9
103.56731	1.2
105.66611	1.1
109.02881	7.8
109.10178	2.0
110.06074	2.2
111.04443	8.3
112.07632	3.0
115.03945	87.3
119.08595	1.4
126.09131	1.5
127.03931	21.9
128.07089	5.8
133.04980	96.4
140.07115	3.1
145.04980	43.8
147.04417	2.2
150.07631	11.6
152.14410	2.1
156.13869	1.4
162.84778	1.2
163.06042	13.8
169.05057	1.4
170.15424	40.5
174.04037	1.6
177.05489	1.7
180.13857	1.4
182.15417	22.5
197.16519	1.3
198.14911	28.3
205.07062	1.7
209.16554	4.6
210.14909	25.0
223.06015	1.5
227.17679	1.4
228.04980	1.8
228.15892	5.6
237.07535	3.3
241.07082	2.9
245.15399	1.1
245.16150	1.3
245.18585	8.2
259.08145	2.6
263.09558	1.5
263.12646	1.4
277.09219	4.1
281.10242	2.5
293.19556	3.4
295.10263	2.8
296.27045	1.6
297.25452	3.5
312.37784	1.3
314.28250	1.3
336.22934	1.8
337.21323	8.4
355.22339	8.2
424.31775	23.1
442.27191	1.7
442.32883	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	443.1551
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
50.72559	0.6
53.03934	1.9
55.01846	1.1
55.05504	1.0
57.03433	4.2
61.02935	2.9
67.05486	1.0
69.03432	8.2
70.06585	1.3
71.01364	3.5
71.04989	1.3
71.26122	0.9
73.02905	1.1
79.05482	1.2
81.03413	3.0
81.07037	1.1
85.02905	20.6
86.09692	0.8
87.04458	1.6
91.03972	0.5
91.05486	1.8
93.07049	2.9
95.04955	1.0
95.08629	2.6
97.02892	6.6
97.06561	0.8
99.04450	1.3
105.07030	1.6
109.02834	2.5
109.06532	0.7
109.10195	0.6
113.02390	3.3
117.06999	0.7
119.04926	0.6
119.08562	0.8
121.06502	5.4
123.04411	0.6
123.08044	0.8
127.03901	4.3
128.06209	0.8
131.08563	0.6
133.06494	4.4
133.10089	0.5
135.04410	0.5
137.05989	0.7
143.04926	0.9
143.08539	1.1
145.04979	3.7
145.05981	0.5
147.08081	1.3
157.06526	0.9
161.05951	2.0
161.09593	0.7
163.03920	0.7
166.02748	0.5
167.03418	0.8
169.01312	3.4
171.08002	1.5
175.07503	3.0
177.01863	0.6
179.03394	1.3
179.07016	1.5
181.04985	1.1
181.06534	0.7
187.02406	3.4
187.03795	0.7
189.09184	1.1
193.08644	2.2
195.02907	1.5
196.67667	0.5
197.04443	2.5
199.07498	1.6
199.14835	0.8
203.03375	1.1
203.07033	4.1
207.06575	1.0
209.04611	0.7
216.04138	1.1
217.05042	0.9
217.08623	2.5
221.04472	2.5
221.08131	6.3
223.02213	0.9
225.07510	1.1
227.07010	2.5
235.06073	2.7
235.09679	0.8
237.07521	4.4
245.08130	8.1
263.09155	100.0
264.09692	0.6
277.25665	0.5
281.06906	1.1
281.10190	8.6
353.49902	0.5
443.16086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	3.5
55.04243	3.2
61.02902	1.1
68.99789	1.7
69.03420	3.0
70.06586	4.6
72.08140	1.3
80.04982	1.2
81.03388	1.2
81.04544	20.2
82.05331	8.2
85.02887	3.5
93.03428	1.3
97.02883	2.0
99.08131	1.0
109.02871	1.1
110.07214	1.5
111.04484	1.8
116.07104	1.2
121.02893	1.3
121.06509	1.1
122.07159	100.0
123.07938	89.9
127.03892	3.6
139.03909	45.4
147.04289	1.5
151.03896	7.0
151.07451	1.4
153.01854	4.6
154.02122	1.2
160.04312	1.3
163.03951	1.8
165.07721	2.8
167.03424	3.9
172.04277	1.4
175.03893	1.9
177.05464	1.4
179.03394	6.8
179.04724	1.1
191.03430	3.4
193.04953	2.2
201.05441	2.2
203.03496	4.7
205.05042	1.0
210.96936	1.6
213.05476	1.7
220.99821	1.2
221.05087	2.3
229.05083	2.4
245.04453	4.5
254.95494	1.0
256.15436	1.3
257.04523	4.3
262.98758	1.2
263.05536	1.8
264.08621	3.6
268.44354	1.2
270.10156	1.1
271.06247	2.2
273.06641	1.2
275.02756	1.7
275.05432	5.1
276.82916	1.0
281.10690	55.2
282.10031	1.2
287.05542	14.7
299.05469	8.9
317.06528	4.7
353.07028	1.4
360.99771	3.6
371.08139	1.3
425.08566	1.7
443.15955	87.6
444.16156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.01868	4.4
55.05266	3.5
55.05513	33.2
57.03436	8.8
57.07081	2.0
58.71284	1.6
59.05004	9.0
61.02937	9.0
67.05501	5.4
69.03434	27.7
69.07073	2.8
70.06599	9.4
70.20609	7.6
70.52464	1.5
71.04993	4.0
72.08152	5.6
73.02927	3.3
79.05482	5.6
81.03433	10.9
81.07070	13.1
83.04988	43.4
83.89431	1.8
84.08125	2.1
85.02911	75.5
85.06548	7.6
86.09731	4.3
87.04476	5.1
90.64407	1.5
91.03946	3.9
91.05473	10.8
92.92686	1.7
93.07039	12.5
95.04960	15.1
95.08626	6.2
97.02899	21.1
97.06525	4.0
99.04447	6.4
101.06024	24.9
102.49087	1.8
103.03991	2.2
105.07031	17.1
107.08598	16.8
109.02890	6.8
109.06502	9.2
109.10175	6.9
111.04451	1.9
111.08098	1.8
116.07116	3.1
116.45667	1.8
117.07015	6.9
119.04920	2.1
119.08588	25.0
121.06506	7.3
121.10159	21.2
123.08060	5.4
125.06004	4.0
127.03934	15.1
128.06230	2.4
129.07011	6.5
130.07780	2.0
131.08548	5.3
133.06477	2.0
133.10149	11.0
135.08058	10.8
135.11707	6.9
136.07509	3.1
137.05972	2.3
137.09633	7.2
141.07036	1.7
142.07780	2.2
143.08528	3.9
145.04973	10.8
145.06467	5.0
145.10143	16.1
147.08051	25.3
147.09113	3.1
147.11685	2.6
149.09598	2.7
151.07529	2.2
151.11217	1.7
151.12787	1.8
157.10135	6.4
159.08061	11.5
159.11647	6.0
161.09648	12.6
161.13271	4.6
163.11183	100.0
165.09143	2.2
171.08044	2.7
171.11736	2.4
173.09554	1.9
173.13354	3.4
175.11163	2.5
175.14937	2.6
177.09134	21.5
179.10641	3.7
181.08414	2.0
181.12228	39.6
185.13300	5.5
187.11179	4.3
189.09116	6.6
194.11046	2.5
199.14819	3.5
203.14337	7.4
205.12236	5.0
207.10173	23.7
215.14342	2.2
217.11929	1.8
223.13258	3.6
227.14342	7.5
233.15349	4.3
245.15350	24.3
263.16434	70.9
274.22681	1.7
277.31345	2.3
281.14716	3.6
281.17511	40.9
407.20538	2.4
425.21811	4.7
443.23077	42.2
449.11478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2796
Annotation	Dysolenticin C
Peak:m/z	Relative Intensity
53.03940	1.7
55.01874	2.1
55.05519	8.8
57.03445	2.1
57.07058	0.7
65.03931	1.3
67.05506	17.7
69.03429	0.7
69.07069	6.7
70.12989	1.1
71.04971	1.4
79.05495	16.4
81.03416	0.9
81.07059	16.1
83.04980	2.0
83.08619	4.1
85.06532	1.4
91.05486	20.0
93.06478	0.8
93.07048	13.0
95.04983	2.5
95.08611	10.7
96.20440	0.4
97.06522	2.1
97.10156	1.7
103.05451	1.2
104.44955	0.4
105.07035	14.9
107.04939	2.8
107.08585	5.1
109.06543	2.7
109.10161	4.3
109.15448	0.5
111.08070	1.3
115.05450	2.7
116.06182	0.8
116.60472	0.5
117.07022	13.3
119.04967	1.1
119.08588	9.1
121.06512	3.0
121.10137	3.6
123.08067	1.8
123.11722	0.9
125.09625	1.1
128.05360	0.7
128.06241	5.5
129.07016	19.4
130.07787	1.0
131.04951	0.8
131.08574	17.5
133.06480	3.0
133.10123	5.5
135.08087	2.7
135.11702	1.4
137.09627	2.2
141.06992	7.3
142.07777	2.9
143.08569	17.9
143.09700	1.0
144.09352	0.6
145.06499	4.1
145.10129	8.6
147.08070	1.8
147.11687	1.6
149.09660	2.6
149.13237	0.6
151.07545	0.5
151.11160	0.6
153.07004	2.0
154.07793	1.8
155.08557	11.6
156.09360	0.8
157.06477	1.6
157.10127	9.4
159.06848	0.5
159.08054	2.0
159.11688	3.5
161.09602	2.3
161.13254	0.6
163.11168	1.3
165.07033	1.8
166.07724	1.0
167.08578	5.0
168.09349	0.9
169.10120	8.3
171.08008	2.1
171.11696	5.6
173.09677	0.9
173.13338	1.0
175.11215	1.2
177.12708	0.7
179.08594	2.0
180.09344	1.5
181.10120	5.0
182.10941	0.7
183.08125	0.9
183.11674	4.9
185.09627	1.4
185.13263	2.5
187.11206	0.8
187.14848	0.8
192.09279	0.5
193.10144	2.7
194.10886	0.6
195.11725	4.8
197.09601	1.2
197.13287	3.1
199.11208	1.3
199.14868	1.8
201.12759	1.3
205.10199	0.8
206.11020	0.7
207.11624	2.5
209.13257	3.8
211.11197	1.7
211.14734	2.2
213.12799	3.1
213.16428	1.0
215.14386	1.1
217.15974	0.5
219.11752	0.6
219.13797	0.6
221.13284	3.4
223.14819	2.8
225.12712	1.8
225.16389	1.7
227.14311	1.7
229.15894	0.6
231.13876	1.1
231.17471	0.6
233.13278	0.6
235.14868	2.0
237.16553	1.0
239.14354	3.0
241.15941	1.7
245.15297	1.2
249.16403	1.2
251.14330	0.7
253.15848	2.4
255.17329	0.5
257.15442	1.3
259.17038	1.2
267.17508	1.0
271.17023	2.1
273.18427	0.5
285.18686	0.5
305.22626	1.0
309.18604	0.6
315.21161	0.8
323.23709	2.0
333.22153	4.7
335.47070	0.5
341.24722	3.3
345.24649	0.6
351.23181	17.7
369.24258	20.5
373.36996	0.5
387.25342	9.6
407.25876	1.3
425.26822	5.1
443.27948	100.0
444.14664	2.1
444.28290	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	443.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05516	0.4
56.05042	0.4
56.94490	0.2
57.03443	0.5
57.05830	0.3
60.05365	0.5
60.05650	5.8
61.02909	0.3
67.05500	0.7
69.03432	1.5
69.07073	8.4
70.06596	19.6
70.49815	0.5
70.50150	0.3
71.04983	0.5
72.04503	0.3
72.08156	2.1
79.05490	0.9
81.03430	0.7
81.07056	0.6
83.04946	0.3
84.04508	1.0
84.08129	0.3
85.02898	2.0
86.03223	0.3
86.09710	97.9
87.10053	0.5
91.05463	0.5
93.07045	0.7
95.01343	0.3
95.04980	0.9
95.08604	1.0
97.02892	0.7
97.06547	0.3
97.07632	0.6
98.06031	0.3
102.05541	0.5
105.07005	0.5
107.04935	0.3
107.08585	0.4
109.06519	0.3
109.10154	0.7
112.08735	4.0
113.07128	0.6
114.10304	0.7
115.08710	3.7
116.07099	7.9
119.04929	0.3
119.08568	0.5
121.06505	0.3
121.10156	0.4
123.08054	0.3
127.03873	0.3
128.10725	16.8
130.04990	0.5
130.09756	2.7
131.05313	0.3
131.08577	0.4
133.09767	1.0
137.09631	1.6
139.03886	0.4
143.08406	0.3
145.05009	0.4
145.10153	0.3
147.04443	0.4
148.06061	0.4
151.03851	0.3
153.01855	0.8
156.10201	1.2
156.11331	9.4
157.10924	0.5
158.09259	7.5
159.11795	0.3
163.03783	0.4
163.11140	0.4
167.03357	0.2
175.03990	0.4
175.11923	16.5
187.11009	0.8
197.04440	0.3
199.18132	0.6
201.99983	0.2
205.12202	0.6
208.00436	0.2
215.10345	0.4
215.14536	0.3
226.15535	0.4
228.17084	0.3
229.15543	0.6
233.15382	0.4
239.19789	0.2
245.15448	0.4
246.18263	0.3
251.17502	0.3
253.16560	0.3
263.09174	0.7
263.16455	2.8
265.10693	0.7
266.10904	0.3
269.18610	0.7
271.17651	7.1
281.17535	0.9
288.20422	0.7
308.35751	0.3
339.01599	0.2
351.14380	0.6
401.27628	0.3
425.17920	0.7
425.28601	0.6
443.19156	2.4
443.29791	100.0
444.30008	1.7
447.83502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89935	0.4
53.03936	0.4
57.03415	1.2
61.02928	2.2
66.21011	0.4
67.05501	0.7
69.03439	5.8
69.87045	2.0
70.06594	3.0
71.04966	1.1
73.02898	0.8
79.74367	0.4
81.03410	1.9
81.07056	0.4
84.08134	2.1
85.02907	10.6
86.29025	0.4
87.04453	1.2
97.02894	4.0
98.09702	1.9
98.21497	0.6
99.04487	1.0
109.02866	1.8
109.06558	0.5
121.06482	0.6
127.03898	1.9
134.09619	0.5
145.06508	0.7
151.03922	0.7
155.03392	4.2
161.05972	0.5
163.07562	3.5
165.05502	0.6
169.01387	0.5
169.04976	1.3
173.05975	2.2
176.07010	0.9
179.03386	1.7
179.06912	0.5
181.05000	0.9
181.08621	0.5
187.07491	0.7
191.07042	7.5
197.04468	8.7
197.06139	0.7
204.10248	1.2
205.08565	1.5
209.04538	0.5
209.08130	2.3
211.17944	0.4
215.06952	0.6
221.04424	0.6
221.10588	0.4
222.11285	4.4
233.08092	3.6
240.12323	23.9
246.11263	1.4
250.08279	0.8
251.09148	2.9
258.00397	0.4
264.12277	2.5
281.12491	0.5
282.13376	64.9
283.13965	0.5
432.76300	0.4
444.18677	100.0
445.19055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.05043	0.7
57.07071	0.9
67.05469	1.0
69.07076	7.7
69.32436	2.8
69.32850	2.0
70.06601	3.2
72.08153	1.1
73.06561	0.8
84.08148	1.3
85.02921	0.5
86.09711	100.0
88.07627	1.8
88.35373	0.5
102.00826	0.5
102.09190	0.7
103.01472	0.6
105.07050	0.8
112.07622	0.9
118.08727	0.5
126.83031	0.6
132.10193	3.3
146.11765	2.0
148.69476	0.6
168.13930	1.3
186.14900	77.7
214.14384	28.2
252.71840	0.6
314.19620	17.6
321.17856	0.8
327.22772	0.8
338.34125	2.0
352.14984	0.9
364.91937	0.6
382.32230	0.7
382.36859	9.5
399.28561	34.9
400.28961	1.1
427.28067	4.4
444.19424	2.2
444.40573	27.4
460.76489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01868	1.1
55.05511	0.4
57.03441	1.6
61.02928	2.1
65.22440	0.1
67.01861	0.6
67.05494	0.6
69.03433	7.3
69.07062	0.3
70.06574	0.3
71.01354	0.2
71.04998	1.4
71.53090	0.3
72.08150	0.4
73.02917	1.1
73.04764	0.2
73.06517	0.2
74.92699	0.1
79.05491	0.8
81.02934	0.2
81.03423	3.3
81.07055	1.5
83.01341	0.4
83.08596	0.2
84.04497	0.3
84.08147	0.4
84.73434	0.1
85.02909	15.4
85.06521	0.2
86.09709	2.0
87.04467	0.6
91.03967	0.9
91.05456	2.4
93.07034	0.7
95.04958	0.7
95.08593	0.6
97.02895	5.7
97.06541	0.2
99.04467	0.9
105.07062	0.4
107.04955	0.3
107.08619	0.4
109.02874	1.9
109.06535	0.5
109.10185	0.2
113.02339	0.2
119.04949	2.6
119.08590	0.4
121.02898	0.3
121.06475	0.3
123.04406	0.6
125.02325	0.2
127.03920	3.0
130.05042	0.2
131.08572	0.4
132.10222	0.2
133.10153	0.3
135.04410	0.3
135.08022	0.2
137.06004	1.4
145.04976	3.3
145.06277	0.3
145.10124	0.3
147.04413	8.4
147.11696	0.2
151.03926	0.7
151.11186	0.2
155.03400	0.5
155.08569	0.2
159.11668	0.2
163.03893	0.6
163.11235	0.2
165.05493	2.7
167.03499	0.3
167.05609	0.2
167.79936	0.2
169.01295	0.3
169.04968	2.3
171.11690	0.3
173.12872	0.8
175.03918	3.7
177.05418	0.3
177.12686	0.3
179.03433	0.8
179.60069	0.2
181.04985	1.3
183.06570	1.6
185.04436	0.4
186.08864	0.2
193.04970	16.5
197.04456	4.1
199.11174	0.2
201.12445	0.4
205.05029	0.5
207.13812	0.4
209.04410	0.2
211.06018	100.0
211.65207	0.2
212.06329	0.9
219.13647	0.2
223.06042	1.3
223.09514	0.2
224.10591	0.2
227.12784	0.2
245.18610	0.7
247.09674	0.3
257.17410	0.2
261.14865	0.6
265.10715	10.2
266.10907	0.2
276.55872	0.2
282.13373	0.2
282.18536	0.5
283.14035	0.3
283.18768	1.3
289.14404	0.7
307.12228	0.2
307.15347	0.9
325.16547	0.5
335.14899	0.5
353.15952	0.4
358.98688	0.3
359.02896	0.4
373.11441	2.0
427.19855	2.3
445.19003	1.4
445.24142	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05499	1.2
56.05030	1.0
67.05456	0.4
69.03436	0.9
70.06609	2.8
71.52274	0.4
72.04478	0.4
72.08159	15.5
73.04750	1.1
74.00667	0.6
74.06087	0.4
76.04005	1.2
81.03397	0.5
81.07076	0.6
83.06099	0.4
83.30806	0.4
84.04509	7.7
84.08161	1.8
85.02901	1.3
85.04025	1.6
86.09713	12.3
91.05788	1.4
92.01705	0.7
93.05767	0.7
93.07058	0.4
94.06566	1.6
97.02889	1.0
98.09679	0.5
99.02687	1.6
99.05545	0.5
102.05521	0.4
106.06526	0.5
108.08130	1.4
109.08899	1.6
110.06027	0.6
110.07154	0.4
110.09676	0.7
111.02631	0.6
112.02196	0.4
113.03503	0.4
113.04237	0.7
116.07099	0.6
118.06580	0.6
119.07325	0.9
122.06034	6.2
124.02187	0.7
125.02927	0.7
126.03751	1.9
127.02126	0.8
127.04610	0.5
129.10265	1.1
130.05006	3.3
131.04520	1.2
135.02649	0.4
135.29881	0.4
136.07591	1.8
137.08366	34.8
138.08142	0.6
138.09148	8.0
139.09877	0.4
139.89122	0.4
140.10696	1.6
142.03226	0.4
142.06853	0.8
145.06055	0.9
147.04446	1.0
147.07719	0.4
152.05298	5.5
153.06647	0.4
163.11176	0.5
167.05624	1.0
168.04829	0.6
170.06355	100.0
171.06708	0.4
171.14940	5.6
172.07922	1.3
177.03297	5.6
180.04767	0.5
181.05977	0.5
183.11266	0.6
183.15030	0.5
185.03818	1.6
185.16611	0.4
195.02800	0.5
196.07928	9.7
196.72102	0.3
197.04144	0.3
199.14453	4.5
203.55295	0.4
206.06290	0.8
211.06003	0.9
213.10529	2.4
213.16161	0.4
223.02376	1.8
223.09052	1.6
224.07414	13.5
229.11929	0.6
231.04344	5.9
241.10107	6.8
247.12918	5.2
259.01291	0.6
278.21561	0.4
279.11578	1.8
288.06433	0.9
312.22812	0.7
316.13260	11.5
352.13409	0.7
359.02869	1.4
370.14285	1.7
401.01920	0.4
427.16257	0.6
428.14984	0.7
445.12262	1.4
445.17752	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	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01865	4.0
55.05522	11.3
57.03447	12.9
57.03679	2.1
57.07086	3.5
60.77175	2.2
67.05511	33.6
69.03442	17.9
69.07088	4.9
71.04997	74.3
71.52876	1.9
79.05495	13.1
81.02986	3.5
81.03424	36.1
81.07058	43.5
83.04979	11.6
83.08624	3.7
85.02904	6.8
85.06539	6.2
87.04462	2.8
91.05484	32.0
93.07074	16.1
95.08606	8.4
97.02906	18.8
97.06553	5.3
99.04446	6.3
105.07034	16.7
107.08575	15.2
109.02885	4.7
109.06509	3.2
109.10170	8.2
111.04445	3.6
119.08590	3.0
121.10126	3.5
123.08080	2.7
123.11705	14.4
127.03928	7.0
129.05510	5.9
131.08603	3.8
133.10133	27.7
135.11671	4.6
149.13312	6.6
151.11174	16.6
159.11687	8.2
169.12288	3.9
170.99258	2.4
173.04456	22.1
177.12773	7.2
178.67363	2.3
183.13838	8.3
184.66290	2.3
187.13326	25.2
195.13828	9.6
201.14871	20.9
206.36821	2.4
228.29095	2.2
229.90665	2.8
243.15878	3.1
257.17505	42.7
269.17508	2.6
301.20157	7.4
339.18057	4.0
340.26813	3.2
413.21609	8.9
445.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03940	2.3
55.01863	2.1
55.05272	0.8
55.05513	11.3
57.03437	1.7
57.07069	0.9
65.03937	1.7
67.05509	25.0
69.03428	0.8
69.06725	0.7
69.07069	8.4
70.69273	1.0
70.69619	0.6
71.04987	2.0
75.08840	0.4
79.05495	23.7
81.03410	1.2
81.07059	26.1
83.04975	1.5
83.08618	4.6
85.06541	1.1
91.05486	34.0
93.07047	22.3
95.04974	3.5
95.08611	15.2
97.06534	2.0
97.10173	1.9
103.05474	1.0
105.04481	1.1
105.07036	31.1
107.04953	2.4
107.08591	10.1
109.05871	0.5
109.06508	2.9
109.10162	5.9
111.08048	1.1
115.05443	2.6
116.06224	0.6
117.06227	1.0
117.07025	15.5
119.08588	18.3
121.06519	3.8
121.10148	7.6
123.08076	1.5
123.11740	0.9
125.09635	0.8
128.06215	2.8
129.07005	10.7
130.07788	0.9
131.04869	0.5
131.08574	25.1
131.23518	0.4
133.06491	2.1
133.10132	9.5
135.08075	2.0
135.11703	3.4
137.09651	1.8
137.13257	0.5
139.11192	0.6
141.07005	3.9
142.07793	0.9
143.08575	11.2
145.06493	1.8
145.10132	15.9
147.08070	2.7
147.11711	3.6
149.09631	2.1
151.11214	0.6
153.07016	1.1
154.07808	0.6
155.08559	6.4
157.06491	0.5
157.10139	6.6
159.08102	1.3
159.11688	5.4
161.09595	1.1
161.13257	1.3
167.08594	2.3
168.09335	0.7
169.10139	5.9
171.08046	0.8
171.11720	5.7
173.09663	1.0
173.13246	2.3
175.11226	0.8
175.14882	0.7
177.12708	0.7
179.08481	0.7
181.10149	2.7
183.11678	3.5
184.82040	0.5
185.09641	1.0
185.13283	3.3
187.11256	0.8
187.14838	1.5
195.11691	3.0
197.13281	3.7
199.11136	0.8
199.14836	1.9
201.12775	1.1
205.12273	0.5
207.11823	0.7
209.13278	2.9
211.14828	2.5
213.12750	1.3
213.16299	0.6
215.14326	1.4
217.15849	0.8
219.13690	0.6
223.14827	1.9
225.16441	1.5
227.14438	1.0
229.15846	0.7
233.15404	1.4
237.16364	1.1
241.15816	1.5
243.17439	0.8
245.15326	0.8
245.86774	0.6
247.17009	2.5
255.17456	1.7
257.18970	0.7
259.17041	1.7
261.18607	1.7
269.19113	0.6
273.18564	1.3
275.20126	0.6
307.24255	0.7
325.25226	2.9
335.23831	4.1
343.26379	4.4
347.22101	0.7
353.24747	15.1
354.25131	0.6
371.25815	12.7
389.01059	0.6
389.26901	14.2
427.28467	2.5
445.29526	100.0
446.29736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2956
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02374	0.5
53.03944	2.2
55.01886	2.7
55.05516	11.1
57.03426	1.6
57.07079	0.6
65.03950	2.4
67.05513	27.6
69.03432	1.2
69.06734	0.7
69.07079	9.2
71.05000	2.4
73.06561	0.7
77.03914	0.5
78.08584	0.4
79.05505	24.1
81.03429	1.5
81.07066	24.5
83.04991	1.9
83.08627	5.2
85.02890	0.6
85.06548	1.6
91.05489	31.4
93.03413	0.5
93.07056	24.7
93.73000	0.5
95.04979	3.9
95.08618	16.6
97.06542	2.6
97.10178	1.7
99.08108	1.2
101.06025	0.6
103.05507	1.5
103.55094	0.5
105.03401	1.9
105.04536	0.8
105.07046	31.6
107.04965	2.4
107.08607	12.2
109.02880	0.5
109.06512	2.9
109.10169	5.5
111.04479	0.5
111.08074	1.6
115.05469	2.1
116.06232	1.0
117.06226	1.0
117.07034	15.9
119.04933	0.8
119.08599	19.9
121.06512	3.0
121.10147	8.0
123.08077	2.1
123.11702	1.1
125.09647	0.9
128.06262	2.5
129.07025	12.3
129.07928	0.9
130.07784	0.8
131.08586	27.3
133.06541	2.3
133.10146	10.8
135.08046	2.5
135.11728	3.6
137.09636	1.2
141.06996	3.7
142.07780	1.4
143.08591	11.3
145.06497	2.0
145.10146	14.3
147.08073	2.2
147.11707	4.1
149.09633	1.6
149.13237	1.0
151.11211	0.7
154.07808	1.0
155.08575	5.4
156.09299	0.5
157.06610	0.6
157.10150	7.3
159.08066	1.6
159.10439	0.8
159.11688	6.6
161.09653	1.6
161.13271	1.4
163.11275	0.8
167.08582	2.4
169.10138	5.9
171.08086	0.8
171.11731	4.9
173.09637	0.6
173.13289	3.0
175.08244	0.5
175.11212	1.1
175.14767	0.7
177.09143	0.5
181.10161	3.3
183.11749	3.1
185.09631	1.3
185.13335	3.1
187.11235	1.3
187.14870	2.2
189.12846	0.6
193.10127	0.5
194.11705	0.5
195.11687	2.8
197.13303	3.5
199.14786	2.3
201.12834	1.7
201.16341	0.7
203.14566	0.5
207.11769	0.9
209.13326	2.0
211.14873	2.1
213.12651	0.6
213.16455	0.6
215.14386	0.9
217.15877	0.6
223.14828	1.6
225.16408	1.5
227.14424	1.1
229.15881	1.3
231.17419	0.8
233.15508	0.8
235.14908	0.8
237.16342	1.0
239.17934	0.6
241.15912	1.1
245.15488	0.7
247.17026	1.8
255.17561	0.5
259.17087	1.3
261.18573	1.6
269.19104	0.6
273.18457	1.0
287.20169	0.6
307.24066	0.6
317.22720	0.6
325.25327	2.5
335.23807	3.6
343.26303	4.1
353.24835	11.0
359.02951	0.6
371.25864	12.6
389.26877	13.8
417.30624	0.6
427.28464	3.2
445.29575	100.0
446.29889	2.1
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
55.01870	8.7
55.05511	34.8
57.07085	45.9
67.05506	23.9
69.06728	6.0
69.07072	78.5
69.53101	26.2
71.08637	30.3
72.06530	3.4
72.66017	3.6
79.05490	16.3
81.07060	64.2
83.04964	5.9
83.08628	56.8
83.86086	3.2
85.10184	14.5
86.04874	3.7
86.86688	3.3
91.05472	8.3
93.07050	30.2
95.08612	42.5
96.71633	3.9
97.06535	7.6
97.10186	26.9
105.07014	8.4
107.08595	22.0
109.06519	3.9
109.10134	23.0
111.08086	9.8
111.11715	18.9
119.08593	10.1
121.06494	5.5
121.10146	16.3
123.08045	10.8
123.11705	12.2
124.05201	4.2
125.13215	5.6
135.11690	14.5
137.05940	10.8
137.13268	4.9
139.07550	100.0
147.11649	4.2
149.09605	5.7
149.13246	16.5
151.07564	10.1
163.11200	4.0
163.14841	10.8
165.05484	12.6
165.09109	24.3
167.14313	4.8
189.12651	4.4
193.08627	11.0
203.10724	4.5
217.12376	4.4
219.13863	5.1
221.11659	4.6
223.07654	3.4
231.13707	4.4
289.28952	14.9
307.29968	19.8
417.37094	6.5
427.35718	12.5
445.36874	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	446.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88859	0.5
54.97951	0.5
56.05029	1.0
68.05028	0.5
69.94189	0.5
70.06585	1.9
72.08144	1.5
72.93785	0.7
73.04748	0.9
81.03413	0.8
84.04469	0.8
84.08138	1.1
85.02909	1.1
86.09724	2.6
91.67136	0.5
105.03419	0.7
108.05593	0.5
110.07111	0.7
117.05739	0.7
119.05985	0.5
120.04467	1.6
120.06617	0.8
121.02853	1.2
123.00470	0.5
123.04436	7.6
124.03944	0.9
129.10197	0.5
129.12712	0.5
130.06490	0.7
132.04459	10.8
132.08092	0.5
132.95836	0.8
134.06017	0.5
138.05522	0.9
138.06558	0.6
139.03906	1.4
144.06871	2.6
144.07825	0.5
145.04001	0.6
146.06058	0.7
150.96922	1.2
158.05980	1.1
159.09189	4.5
159.55455	0.6
176.05807	5.7
191.08185	3.8
194.97411	2.2
197.65036	0.5
201.11429	0.8
203.84256	0.6
208.99062	1.1
210.96880	1.1
212.98459	3.0
214.09750	0.9
223.07391	0.8
228.07774	0.8
229.10905	2.6
235.90329	0.5
247.10852	1.9
249.12398	2.7
252.97954	6.4
254.10312	3.7
257.10355	100.0
258.10864	0.8
261.09839	5.5
266.99664	0.8
270.99017	3.9
282.09866	53.4
284.11316	1.2
286.09360	9.2
293.11316	3.6
299.12558	4.3
300.10962	4.8
317.13651	1.2
326.99448	0.6
345.00537	2.1
360.03098	1.4
363.01852	0.8
387.01489	0.9
404.16000	0.9
405.02341	0.8
429.15082	1.1
430.62881	0.5
446.17853	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.05032	2.0
57.03439	1.5
60.04515	2.7
69.03428	1.0
70.02589	1.1
70.02959	17.7
70.06583	1.7
70.85158	1.3
71.06110	0.8
72.04527	0.8
72.08151	2.2
73.02929	0.9
74.02438	2.5
74.06092	4.3
76.02230	2.1
76.04012	6.2
80.05016	2.7
82.02979	0.8
84.04047	0.9
84.04508	8.6
84.08153	0.9
85.02905	1.7
85.04068	0.6
86.00649	1.1
86.06047	0.8
86.09727	1.3
86.99062	0.6
88.03983	2.1
94.06578	1.5
95.06045	0.6
97.02874	1.1
98.06060	4.2
99.05587	8.6
103.05043	1.1
106.05022	1.7
107.06093	1.5
108.04490	4.9
109.07664	2.8
110.06048	2.3
112.07664	1.0
113.06100	0.7
116.01649	3.0
116.03450	2.8
117.06602	0.9
122.06031	3.6
123.02599	0.7
123.05559	1.2
123.06812	3.3
124.02173	1.8
124.07581	1.2
125.07122	3.3
127.02152	0.8
127.03938	1.0
127.05041	1.4
130.05013	3.9
132.10162	0.7
133.03488	0.7
136.06207	0.8
138.03728	1.8
139.00890	1.8
139.03212	0.6
140.01575	0.8
140.07068	3.0
141.02496	0.8
141.10286	0.6
142.03236	4.5
144.06602	4.1
145.06090	48.8
147.03247	0.7
152.05653	0.7
153.06601	2.6
154.03220	6.1
155.08122	3.6
156.04787	100.0
157.03326	1.2
162.02228	0.9
165.02469	0.7
165.04852	3.6
166.03247	4.2
169.06140	3.0
169.09787	1.0
174.05867	2.7
179.04846	1.3
180.04781	2.6
181.06055	1.0
183.05910	1.8
194.02730	0.8
197.07454	1.3
198.05788	1.2
199.05511	0.9
199.07195	2.8
208.04329	1.0
211.07161	0.7
222.06999	1.1
223.05203	1.8
231.04266	0.8
245.05995	3.5
249.06911	3.3
268.07568	7.1
269.05939	7.4
274.10440	3.8
277.06442	1.7
283.07483	4.1
286.08618	9.3
288.06409	0.8
300.10120	10.4
301.08560	1.7
312.97610	0.7
352.09546	0.8
354.11087	2.7
357.04822	0.8
375.05908	0.8
386.99991	0.9
397.11978	1.4
411.13251	1.3
412.11798	1.3
415.13300	0.8
429.14429	46.7
430.12573	2.9
447.15271	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	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.15198	1.1
57.03429	3.0
61.02917	4.3
68.45531	1.2
68.96872	1.0
69.03431	9.2
70.06582	5.1
71.52041	1.5
72.08156	1.8
73.15878	1.1
80.75539	1.1
81.03449	5.8
81.07099	2.0
83.01351	1.9
83.06124	1.1
84.04488	4.4
84.08188	2.6
85.02910	32.4
86.09689	4.3
95.04980	2.5
97.02926	10.1
99.04452	2.4
105.03377	2.0
105.07016	1.6
109.02853	3.1
111.04430	1.6
111.05550	1.6
119.04945	1.4
119.07329	4.6
120.04483	3.9
120.08111	2.6
123.04416	3.3
126.06650	2.8
127.03938	7.2
130.04982	2.5
132.04425	7.2
134.06026	2.7
136.07516	1.2
138.03751	2.1
145.04962	12.8
147.04405	5.3
147.07578	1.1
149.02304	1.8
151.03915	5.3
151.06187	2.2
157.07635	1.2
166.03238	3.7
167.69527	1.3
169.04956	10.7
179.03409	14.2
187.08746	1.6
188.92551	1.2
193.04948	2.0
197.04468	100.0
202.09773	5.3
216.11371	1.9
218.76923	1.3
223.05374	1.4
230.09315	2.3
232.10789	2.0
232.59941	1.1
235.07562	1.8
237.09048	1.6
241.08688	1.6
242.09219	2.0
244.12848	1.5
247.03860	1.7
254.11830	1.6
257.10376	3.2
259.11902	27.8
269.05872	4.6
284.11444	1.9
287.05457	2.5
301.08511	5.7
301.13947	1.7
302.12463	10.2
319.15384	1.3
359.09695	10.0
362.12640	1.8
373.10638	2.8
402.11789	1.4
406.17075	4.7
448.13141	3.2
448.19403	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	448.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39243	0.4
56.05019	1.0
60.05621	0.7
69.79414	1.6
69.79814	0.9
79.05491	0.6
83.06086	1.5
97.07710	0.4
104.05029	0.5
105.03413	1.9
105.05764	0.9
106.06532	1.7
108.18861	0.4
110.69511	0.4
111.04919	0.5
111.05572	5.1
113.07094	1.4
118.06519	0.5
120.03648	0.7
120.04473	12.0
123.05517	0.9
126.05803	0.4
126.06650	7.2
127.07397	0.9
129.85196	0.4
132.04460	19.0
132.07990	0.5
133.05185	0.5
134.06023	6.6
137.04648	1.7
140.08154	1.2
146.02370	0.7
151.06151	6.6
158.05980	0.5
162.06592	0.6
168.08824	2.4
170.05644	0.4
175.08618	0.4
185.07100	0.5
201.06664	0.5
202.09756	12.2
215.08235	0.6
216.11337	2.8
227.09390	0.5
230.09261	7.6
231.07596	0.4
231.12419	0.9
232.10838	3.7
237.91592	0.4
242.09341	3.2
257.10333	4.5
259.11914	74.7
260.12201	0.9
260.72528	0.5
277.13147	2.2
284.11450	9.0
287.05554	0.9
301.14069	7.9
302.12488	27.2
319.15128	1.5
350.79355	0.5
362.18274	0.8
406.17282	12.5
406.95709	0.5
430.17957	1.0
431.16785	0.8
448.19424	100.0
449.19608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	1.0
60.04524	0.8
69.42170	2.3
70.06593	0.5
72.08160	1.5
72.69476	0.3
79.05486	0.7
84.04514	1.6
84.08147	0.9
85.02897	0.7
86.09708	1.5
89.06003	0.7
91.05463	0.7
93.07046	1.4
98.21509	0.6
103.05485	5.7
103.07590	0.6
104.07121	0.3
106.05027	0.3
107.04951	1.8
111.05558	0.3
120.08113	100.0
121.08574	3.5
124.03965	8.0
126.05538	0.9
128.03841	0.4
131.04912	2.3
132.04433	0.7
135.44081	0.3
136.06175	1.2
141.10280	0.3
144.03317	0.4
146.04778	0.5
147.07690	0.4
149.06018	1.8
151.06133	0.4
166.08650	58.6
167.09018	0.7
202.09705	0.7
216.09811	0.4
229.11682	0.4
231.10017	0.3
244.08600	1.2
246.14508	0.5
255.55167	0.3
259.11877	2.9
287.05585	0.5
301.10950	1.7
302.12451	1.2
309.92014	0.4
311.16547	0.4
389.14581	0.4
395.64227	0.4
404.18463	0.4
406.17377	0.4
448.19409	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	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	1.9
55.05513	30.3
57.03427	3.5
57.07094	1.6
59.41190	1.2
61.02912	1.7
61.24215	1.0
67.05499	14.0
69.03426	5.6
69.07053	9.9
71.04993	9.0
73.02917	9.7
79.05499	11.8
81.03403	1.8
81.07060	30.3
83.04986	8.5
83.08598	3.6
84.08163	1.5
85.02905	14.1
85.06518	1.5
91.03954	1.2
91.05479	12.6
93.07048	51.2
93.07639	2.7
95.04955	10.4
95.08610	31.4
95.64147	1.2
97.02900	2.9
97.06538	7.9
97.10160	1.3
99.04442	3.3
105.07032	27.2
105.92285	1.1
107.08598	50.5
109.06524	7.9
109.10153	10.3
111.08083	6.1
116.75156	1.2
117.07008	3.9
119.04881	1.6
119.08585	33.0
120.08062	1.2
121.06563	5.8
121.10148	49.0
123.08054	4.8
123.11709	4.4
125.06017	1.6
127.03890	1.3
127.18960	1.1
131.08559	11.0
133.10136	23.8
134.10918	1.4
135.08075	11.9
135.11694	5.1
137.09618	9.4
139.07510	3.7
143.08563	1.4
145.04999	1.9
145.10124	22.0
147.04433	2.6
147.08035	2.2
147.10521	1.7
147.11685	35.2
149.02399	1.9
149.09663	6.6
149.13264	47.7
151.11208	2.1
153.01849	6.0
154.02145	2.2
155.08586	2.1
157.10172	4.1
159.08054	1.8
159.11710	32.5
161.13240	5.4
163.11163	1.9
163.14822	3.7
165.09122	4.6
165.12698	1.4
171.11693	1.4
173.09612	2.9
173.13274	3.1
177.09222	1.9
177.12761	29.6
177.16365	13.5
179.10745	2.3
180.08679	1.6
187.11124	1.5
187.14832	32.2
189.16386	6.5
197.13200	2.6
205.15894	53.7
206.16168	1.7
215.14342	9.8
233.15373	53.9
251.16443	100.0
269.17227	1.5
281.01663	1.2
286.04431	2.1
287.05487	40.4
296.06390	1.6
297.03537	2.3
298.04263	4.3
302.03549	1.4
303.05066	15.3
313.03445	2.3
314.03873	6.2
315.04605	1.9
323.05298	1.3
330.03424	2.7
342.06949	2.0
343.04489	7.4
344.04810	26.0
344.08618	2.4
370.06363	1.9
377.82849	1.3
394.06250	13.5
412.07571	5.7
448.09531	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	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01861	2.9
55.05515	26.1
55.13250	1.3
57.03442	2.6
57.07080	1.5
59.26221	1.1
61.02923	2.5
64.45805	1.2
67.05509	11.8
69.03421	4.1
69.07079	6.5
70.76778	3.4
71.05018	6.1
72.31364	1.1
73.02930	7.0
79.05497	10.9
81.03432	2.9
81.07063	30.4
83.04973	7.5
83.08652	2.9
85.02910	12.1
85.06573	2.4
91.05486	15.4
93.07048	50.4
93.07642	2.6
95.04982	9.2
95.08617	34.1
97.02922	4.0
97.06543	9.5
99.04498	1.6
105.07040	30.5
105.09371	1.3
106.06550	1.2
107.08607	42.6
109.02888	2.1
109.06507	6.7
109.10171	12.5
111.00794	1.4
111.08096	5.2
117.07038	3.7
119.08594	28.2
121.06536	4.5
121.10152	45.4
123.08076	4.5
123.11703	3.9
125.05997	1.6
125.09653	2.0
131.08582	11.5
133.10146	19.9
134.10881	2.2
135.08075	9.0
135.11723	4.4
137.05902	1.3
137.09590	6.2
139.07597	1.4
139.11145	1.4
143.08588	2.4
144.09369	2.3
145.04979	1.6
145.10136	19.5
147.04427	2.6
147.08109	1.2
147.11703	28.9
149.09665	8.9
149.13271	50.2
151.11232	2.0
153.01866	6.0
157.10130	3.2
158.10983	1.3
159.11716	29.7
161.09604	2.1
161.13287	4.4
163.11211	2.2
163.14865	3.5
165.09129	4.3
173.09749	2.7
173.13281	3.3
177.09192	1.9
177.12772	26.1
177.16373	14.3
187.14832	27.8
189.16405	5.6
191.14349	1.6
197.13245	2.5
204.03940	1.5
204.59218	1.3
205.15906	49.2
205.17851	2.4
207.26028	1.2
215.14285	7.3
233.15381	43.2
248.52785	1.3
251.16451	100.0
258.04828	1.4
286.04434	2.6
287.05521	27.8
296.06296	2.4
297.03836	2.9
298.04279	5.2
302.03815	1.6
303.04959	9.6
313.03461	3.0
314.03787	9.3
315.04678	2.7
330.03223	3.6
342.07010	3.3
343.04437	6.1
344.04865	35.4
348.05734	2.3
352.05209	2.2
354.03452	1.7
370.06424	2.4
386.05850	1.9
394.06390	16.8
412.07559	8.9
448.09674	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	448.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22833	0.4
55.01862	0.5
55.05524	1.4
57.03426	0.7
61.02924	1.0
67.05494	2.0
69.03429	1.6
69.07070	1.5
69.87045	2.4
70.06591	0.5
71.04996	2.6
73.02929	3.4
76.02209	0.5
79.05509	1.9
79.74101	0.5
81.03455	1.1
81.07069	6.1
83.08622	0.7
84.04510	0.6
84.08167	0.6
85.02919	4.6
86.09699	0.7
91.05484	5.7
91.06858	0.5
93.07044	4.0
94.54115	0.5
95.04983	1.8
95.08624	5.7
97.02908	1.5
97.06521	0.8
98.21521	0.6
105.07047	8.3
105.21538	0.6
107.08589	4.1
109.06510	0.9
109.10152	2.4
111.04384	0.6
111.08067	0.7
117.07028	0.9
119.08604	5.5
121.02847	0.5
121.10139	3.3
127.03880	0.6
131.08585	3.1
133.10156	3.4
135.08031	1.4
135.11699	1.5
137.06087	0.5
145.04982	0.6
145.10152	5.7
147.04425	0.7
147.11705	25.0
149.13271	0.8
157.10153	1.8
159.11693	3.4
161.13364	1.0
172.91365	0.5
173.13310	0.6
175.11211	23.9
175.14799	0.9
177.12700	1.1
177.16394	1.8
187.14847	7.5
197.13483	0.7
203.14320	1.1
205.15921	2.6
215.14333	2.4
221.15413	3.5
233.15393	100.0
234.15753	1.0
247.37206	0.5
251.16458	33.1
286.07938	1.0
287.05530	15.4
301.15656	1.6
303.05038	4.9
395.20871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.07082	6.2
58.06586	1.2
58.38736	0.5
58.50222	0.5
67.05475	1.7
69.07053	1.2
70.06596	14.5
70.64244	1.1
71.08617	2.1
79.05477	1.0
79.60933	0.5
81.07039	1.4
85.02900	0.8
85.10182	1.2
88.07107	1.2
88.07638	20.0
90.13788	0.5
91.05454	2.6
93.07027	1.6
95.08629	0.8
99.13644	0.6
102.09189	14.7
102.58505	0.6
104.02599	2.1
107.08549	1.1
115.47717	0.5
119.04945	1.9
132.02094	6.4
136.01553	4.8
147.04425	21.2
148.05153	2.0
149.02356	1.0
175.03918	39.3
176.04622	1.8
178.07860	0.6
180.04198	7.6
191.07082	2.7
193.04990	1.1
199.54575	0.6
212.23785	0.8
219.06535	71.9
220.06920	0.7
256.26367	42.0
303.05167	0.9
448.30612	100.0
449.30344	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	449.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01869	0.2
57.03434	0.4
61.02935	5.9
68.99796	0.5
69.03439	1.2
69.24754	0.8
69.25172	0.5
71.04994	0.3
73.02929	1.6
81.03452	0.3
85.02915	5.9
91.03970	3.4
93.07026	0.2
97.02905	2.9
98.21543	0.3
99.04457	0.2
105.03389	0.3
107.04951	0.4
109.02880	0.5
111.00822	0.8
115.03931	0.2
121.02874	2.9
127.03919	0.9
133.02844	0.3
135.04456	0.2
137.02374	0.8
145.04956	0.6
145.06473	0.2
147.04419	0.6
147.77498	0.2
153.01845	3.8
157.06479	0.4
165.01868	2.1
183.02934	0.8
185.05975	0.3
197.05997	0.2
213.05444	1.6
229.04958	0.2
231.06503	0.8
241.04964	0.8
243.06531	0.2
258.05267	1.3
259.06042	0.4
287.05530	100.0
288.05847	1.1
299.05566	0.6
303.04926	0.8
315.49802	0.2
322.70004	0.2
329.06549	0.3
341.73941	0.1
353.06573	0.3
449.10611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
60.24062	0.3
60.83860	0.3
61.02932	6.7
68.99793	0.5
69.03416	0.9
69.97791	1.0
73.02936	1.5
81.03443	0.3
85.02914	5.8
90.90429	0.3
91.03963	3.2
93.92383	0.2
97.02904	3.0
105.03413	0.3
107.04996	0.3
109.02870	0.4
111.00844	0.6
115.03921	0.3
121.02891	2.7
127.03938	1.0
133.02867	0.3
137.02347	0.9
141.07005	0.3
145.04980	0.7
147.04445	0.5
153.01843	3.6
157.06502	0.5
165.01860	1.9
183.02942	0.8
185.06172	0.3
198.55898	0.3
205.45247	0.2
213.05470	1.7
231.06525	0.8
241.05003	0.9
258.05258	1.0
259.06018	0.3
285.90897	0.3
287.05530	100.0
288.05841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Quercitrin
Peak:m/z	Relative Intensity
55.01862	0.7
57.03443	4.5
57.52806	0.5
60.13042	0.4
65.66369	0.5
66.71928	0.5
69.45686	3.3
71.05000	29.4
75.04476	0.7
81.23603	0.5
83.04969	0.5
85.02913	28.7
87.04481	0.8
103.64151	0.5
111.00833	0.8
121.02841	1.1
129.05476	7.0
137.02335	4.0
147.06554	1.4
153.01851	3.6
163.03926	0.6
165.01842	1.9
169.85960	0.5
172.16861	0.5
183.02963	0.8
201.05475	1.8
229.04999	4.4
257.04483	2.6
274.04697	0.7
285.04074	1.0
303.05020	100.0
304.05426	2.2
345.06033	0.8
427.23468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1085
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.99421	0.2
57.03438	0.7
59.96145	0.2
61.02913	0.3
61.42945	0.2
63.98083	0.2
67.32277	0.2
68.99792	0.5
69.03436	0.3
69.62680	0.6
69.63091	0.8
71.01378	0.3
71.04996	3.4
73.02927	22.5
75.04459	0.2
85.02917	6.1
87.04485	1.6
98.21474	0.5
99.04478	0.5
105.03397	0.4
107.04968	0.3
109.02849	0.4
111.00835	0.6
117.05494	0.9
121.02891	2.4
127.03918	0.4
129.05486	0.8
133.02861	0.3
137.02373	1.2
138.10733	0.2
147.04388	0.6
153.01837	3.9
157.06573	0.6
165.01830	1.7
183.02927	0.7
183.04655	0.2
185.05946	0.3
199.03882	0.3
213.05515	1.4
222.17580	0.3
229.05049	0.5
231.06511	0.6
235.29279	0.3
241.04922	0.8
258.05170	1.2
259.05978	0.4
287.05530	100.0
288.05914	1.4
299.73129	0.3
303.05005	11.3
317.06558	0.8
449.10852	0.4
472.46140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.02161	0.9
53.03944	1.5
67.01862	1.3
68.99793	1.8
69.87201	1.4
69.87592	1.8
71.04990	4.9
73.02917	5.6
81.03413	2.4
85.02908	19.1
95.04956	0.8
99.04456	11.0
103.03941	13.5
109.02888	3.7
111.00803	1.3
111.04467	2.4
121.02877	6.3
123.04438	21.8
127.03097	1.1
127.03923	11.0
129.05492	1.4
133.02888	1.1
135.04385	2.4
137.02382	1.4
139.03937	1.4
145.05008	1.1
147.04440	1.9
149.02347	50.2
150.03140	1.0
151.03906	1.4
153.01837	92.3
157.06511	1.6
161.02339	3.5
167.03409	4.8
167.39862	0.8
171.02859	1.7
175.03983	1.0
175.07530	0.8
175.89017	0.9
177.61101	0.7
179.03397	1.5
185.05959	3.9
195.02914	10.1
197.06117	0.8
203.03398	3.5
203.06931	1.0
213.05443	10.7
229.04898	0.8
231.06532	42.2
241.04953	7.6
257.04181	0.9
258.05133	0.9
259.06024	49.5
265.95761	0.8
269.04413	2.6
287.05508	100.0
288.05884	1.2
303.04993	16.4
305.06564	66.9
306.06912	1.1
336.27744	1.1
413.08676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03954	0.8
55.01870	1.1
55.05505	1.3
57.03444	5.7
61.02940	1.2
65.48143	0.5
68.99799	1.2
69.03436	3.9
70.06590	0.7
71.01338	0.7
71.04997	29.7
71.52314	0.7
73.02914	1.4
75.04464	1.2
79.05492	0.7
81.03421	1.2
85.02912	38.9
86.03223	0.6
86.09718	0.7
87.04466	1.6
91.03979	0.6
91.05486	1.7
93.07026	1.3
97.02885	3.4
99.08107	0.6
103.05481	1.4
107.04964	10.4
109.02916	0.8
110.07176	0.8
115.05442	1.1
117.07035	3.6
119.04927	2.0
120.22953	0.6
121.02856	3.1
121.06509	7.4
121.09971	0.7
123.94910	0.5
127.03908	1.4
129.05475	8.4
131.04935	1.0
132.95821	0.9
137.05977	0.7
140.96434	0.5
141.01781	0.9
145.06496	41.4
146.07275	0.8
147.04410	3.0
147.06487	1.6
147.07797	0.6
153.01794	1.4
155.03421	5.4
155.06033	2.6
158.97365	1.3
163.03906	1.0
165.05496	0.8
168.95822	1.1
169.01324	5.0
174.62088	0.7
175.03917	2.5
193.04973	41.9
195.08194	0.7
199.07634	0.8
213.09065	0.6
216.97887	1.0
229.04913	1.3
234.99042	3.8
245.04471	0.8
247.06041	2.0
251.07007	0.7
253.00130	0.6
257.04477	1.1
269.07977	0.8
273.03970	1.6
277.79721	0.7
287.05731	3.1
287.09137	41.0
303.05005	100.0
304.05322	1.2
317.06836	5.4
449.14926	1.2
449.24515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01879	5.6
55.05519	27.9
57.03444	18.3
57.07072	1.8
58.52543	1.6
65.03951	4.3
67.05509	44.4
69.03425	4.5
69.07075	18.7
69.33492	1.7
71.04999	22.2
71.52256	3.0
76.61735	1.8
79.05497	36.3
81.03424	25.9
81.06587	3.2
81.07061	64.0
81.25220	1.7
83.04992	7.3
83.08636	14.5
85.02905	20.1
85.06531	4.8
91.05481	37.2
93.07049	30.0
95.04976	31.9
95.08620	27.8
97.02915	1.7
97.06522	5.5
97.10177	12.0
105.04516	2.4
105.07034	37.6
107.04955	12.1
107.08605	20.2
109.02766	1.8
109.06503	10.3
109.10146	7.9
111.08117	3.9
115.05466	1.9
117.07013	9.6
119.04945	2.4
119.08587	25.6
121.02905	1.9
121.06530	16.3
121.10160	12.9
123.08078	7.3
123.11708	5.6
125.09642	8.2
129.05492	4.0
129.07008	11.5
131.08577	17.3
133.06541	3.6
133.10144	9.8
135.08069	8.4
135.11728	5.2
137.02354	2.4
137.13400	1.9
141.07002	4.2
142.07776	2.3
143.08566	7.7
145.06540	4.0
145.10161	11.1
147.06825	1.9
147.08067	6.5
147.11694	18.9
149.09645	3.2
153.01788	3.1
155.08560	4.5
157.10170	8.8
159.11676	4.9
161.09685	2.7
161.13391	1.7
163.11159	4.8
165.12778	8.3
169.10085	2.2
171.11736	6.2
173.13269	2.5
175.11183	3.4
183.11751	2.1
185.09700	1.8
185.13263	3.9
187.11273	2.6
187.14761	3.5
189.09070	1.6
189.11220	4.4
189.12753	3.4
193.12260	11.5
199.14780	1.5
203.14421	2.3
205.15901	5.6
211.13266	3.8
215.14398	1.8
223.13168	2.7
227.12758	2.2
239.16446	7.6
249.15004	3.1
267.15884	12.1
287.05563	19.1
303.05038	55.6
321.22076	2.5
329.24814	4.1
339.23233	12.1
357.24261	47.0
375.25522	13.2
395.65192	2.0
405.26382	1.9
413.27103	2.7
431.27960	53.2
449.29053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01864	7.2
55.05516	21.7
56.15018	1.7
57.03442	17.5
61.02925	2.1
67.05178	3.0
67.05508	46.1
67.06056	1.9
69.03423	7.7
69.07070	15.8
69.81302	6.9
69.81725	3.1
71.04998	24.9
79.05497	43.1
81.03424	20.1
81.07059	72.8
82.12545	1.8
83.04967	7.1
83.08620	18.1
85.02904	21.3
85.06540	4.8
91.05482	35.4
93.07050	30.4
95.04980	38.7
95.08607	25.6
97.02895	2.9
97.06543	6.0
97.10147	14.7
97.66450	1.9
98.20877	4.0
100.37199	1.9
105.07034	39.0
107.04973	16.1
107.08595	26.8
109.06524	12.3
109.10125	10.5
110.22187	2.0
111.08086	4.1
117.07036	15.6
119.04902	3.9
119.08591	25.2
121.06504	15.6
121.10130	17.0
123.08069	4.9
123.11729	6.7
125.09625	9.4
128.06215	2.2
129.05486	4.7
129.07024	8.8
131.08580	17.2
133.06502	5.3
133.10124	6.7
135.08087	9.6
135.11676	4.8
137.02324	3.0
137.09648	2.6
137.13263	1.8
141.07047	2.1
142.07678	1.9
143.08597	7.1
145.06544	2.2
145.10112	14.2
147.08038	7.3
147.11655	19.1
149.09618	5.2
149.13293	2.5
153.01805	2.4
153.09198	3.3
157.10143	5.0
159.07993	2.5
159.11688	6.2
161.09669	2.8
163.11201	6.1
165.12770	10.3
169.10153	7.0
171.11694	6.7
173.06898	2.0
173.09598	3.1
173.13177	4.6
175.11168	4.5
183.11612	2.7
185.09657	2.6
185.13312	5.7
187.11151	3.6
187.14729	2.8
189.09363	2.6
189.11266	7.1
189.12764	2.9
193.12227	16.6
199.14845	3.1
203.14311	2.9
205.12286	4.3
205.16016	2.6
210.72760	2.0
211.13275	2.3
219.13820	2.3
223.13168	2.7
227.12682	4.3
231.13826	4.3
239.16449	8.4
249.14922	3.9
250.53577	1.9
257.04523	2.7
263.16635	1.9
267.15851	15.1
273.18387	2.5
287.05524	27.2
289.18146	2.0
303.05002	64.4
303.08359	3.7
304.05209	2.5
329.24832	5.9
339.23120	15.1
357.19781	3.5
357.24213	59.4
358.64014	2.2
375.25391	15.1
395.25909	2.4
413.27344	2.5
431.27979	64.9
449.29047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01879	1.8
57.03450	3.8
57.32412	0.4
61.02930	5.2
65.03950	1.5
69.03435	11.1
69.89706	2.3
70.06591	0.5
71.05004	0.8
72.08163	0.5
73.02927	1.6
81.03436	4.1
84.04482	0.8
84.20657	0.4
85.02911	59.4
86.09724	0.4
87.04460	1.5
91.03988	3.0
91.05488	100.0
97.02901	31.8
99.04456	2.2
101.02360	0.8
102.05538	0.6
103.03971	0.5
103.12707	0.4
105.07050	1.1
109.02880	5.6
111.04412	0.6
115.03944	3.7
117.07013	1.4
127.03925	13.2
127.04823	0.9
128.06218	0.5
129.06998	1.4
133.06477	1.3
143.03371	0.5
143.08501	0.8
145.04971	29.5
145.06419	1.3
153.07019	0.7
157.06516	1.2
161.04440	2.6
163.06018	12.4
171.08078	2.0
175.07564	0.9
193.05009	1.4
194.05348	1.4
200.07364	0.8
207.58878	0.4
217.08563	4.0
235.09622	2.3
253.10678	3.6
259.11258	0.6
288.05789	1.6
288.09531	0.5
289.09137	0.8
303.09998	1.2
325.11313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
54.80588	0.3
55.01870	0.4
57.03426	1.1
60.06006	0.3
61.02925	2.0
67.05496	0.3
68.99779	1.6
69.03426	1.3
70.06581	0.8
70.31039	0.3
70.31393	1.0
71.01331	0.6
71.04980	0.5
73.02923	15.1
73.54558	0.3
76.02206	0.3
81.43237	0.3
84.08138	0.4
85.02908	1.3
86.09694	1.3
87.04488	0.4
91.05479	0.4
97.02888	0.7
98.21442	0.3
103.05433	0.4
107.04958	0.3
109.02879	0.9
111.00808	2.4
115.03956	1.1
120.08104	1.1
121.06493	0.3
127.03947	0.6
136.07564	1.1
137.02354	2.4
139.03900	0.3
145.06491	0.9
146.06828	0.5
147.04417	0.9
153.01837	11.0
153.05298	0.4
161.05894	0.4
161.07129	0.6
162.02136	0.3
163.03836	0.3
164.07034	0.4
165.01846	3.6
166.02567	0.4
166.08737	0.3
177.05571	0.4
179.03398	1.1
179.04810	0.4
183.02888	1.0
189.05513	0.6
193.04982	0.6
194.05348	0.5
195.02878	0.8
199.03905	0.7
203.03462	0.6
207.03015	0.3
215.03438	0.3
217.04974	3.5
227.03395	0.5
229.04971	0.4
235.02292	0.4
243.14987	0.6
244.03529	0.3
245.04482	5.2
255.02899	0.4
263.05527	0.7
271.14297	0.6
273.03940	4.7
287.05536	1.1
288.09436	0.5
289.06961	0.3
289.09784	0.6
289.15424	2.7
290.04211	1.0
301.03436	1.4
303.04898	0.3
304.05429	0.5
305.05606	1.2
319.04498	100.0
320.04877	1.1
329.02847	0.3
357.64560	0.3
373.05252	0.3
451.06375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05495	0.3
57.03425	1.0
61.02927	2.0
63.69263	0.4
68.99789	1.1
69.03424	0.9
69.07078	0.4
69.49043	1.9
70.06583	1.2
71.01339	0.5
72.08154	1.1
73.02509	0.7
73.02921	14.9
79.05480	0.6
81.07040	0.4
84.08154	0.5
85.02892	1.2
86.09699	1.9
93.07065	0.5
97.02891	1.1
98.09673	1.1
105.07035	0.4
109.02879	0.6
111.00810	1.5
112.50043	0.4
115.03938	1.2
119.04993	0.3
120.08102	1.5
121.02875	0.7
123.04427	0.7
125.02353	1.1
126.03164	0.8
127.03913	1.1
135.04399	0.5
136.07587	0.6
137.02341	2.3
139.03940	0.7
140.14391	0.4
145.06546	0.4
147.04364	0.7
153.01845	10.3
163.03989	0.4
165.01846	6.6
166.02568	0.5
167.03378	0.4
175.03951	0.4
177.05527	0.6
179.03406	4.2
183.02942	0.8
189.05444	0.6
192.04175	0.5
193.04970	0.6
195.02882	3.0
195.05557	0.4
196.69331	0.4
199.03908	0.3
203.03448	0.9
207.02914	2.5
217.05003	1.5
217.06792	0.3
221.04510	1.1
227.03371	0.4
229.04915	0.5
231.02917	0.7
232.03667	0.8
241.49615	0.3
245.04466	5.3
249.03918	0.9
255.02907	0.7
263.05432	0.5
273.03967	10.3
283.02463	0.6
289.06842	0.4
290.04291	2.0
293.14243	0.6
301.03497	2.8
319.04501	100.0
320.04996	1.5
397.21613	1.0
441.34042	0.3
450.74939	0.5
451.21027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
51.08863	1.8
54.19252	1.5
55.01855	3.2
55.05489	1.8
56.41300	1.8
57.03435	3.7
61.02921	4.3
65.03959	1.6
67.05486	2.3
68.99753	1.6
69.03431	8.2
70.06595	12.3
71.06915	2.5
71.52562	3.1
72.08147	7.0
73.02921	15.4
74.43373	1.8
81.03416	4.6
84.04517	2.4
84.08147	5.4
85.02917	17.2
86.09709	10.9
89.40411	1.6
90.80074	1.7
91.05489	4.1
93.07032	1.9
95.04955	2.6
97.02888	7.2
107.04958	21.5
109.02840	3.2
120.08115	12.9
121.02856	7.1
121.05773	1.7
123.04494	3.2
127.03934	5.7
129.10201	3.5
135.04385	2.7
136.07578	7.5
137.02336	4.9
138.09113	2.2
145.02888	2.1
145.04965	3.4
147.04422	4.0
149.02357	53.5
153.01796	14.1
154.02231	2.1
159.04411	1.9
163.03973	3.1
163.07600	2.1
165.01825	4.2
167.07034	2.2
169.01324	8.4
169.06354	2.3
175.39926	1.7
183.03017	2.5
187.03862	1.8
197.06012	4.5
211.02470	1.8
215.07036	65.6
232.06754	3.0
243.06535	100.0
245.04269	1.9
247.45398	2.0
250.16852	2.0
255.06189	2.0
257.08347	2.0
271.06024	82.7
273.03854	2.9
287.05511	23.5
288.05777	16.6
289.06104	41.3
289.15186	3.3
298.73026	2.2
312.05710	2.3
313.07062	4.1
319.04489	87.3
337.06583	1.9
451.18558	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	451.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.62079	0.8
55.05523	1.1
57.03412	2.1
59.04984	2.2
61.02934	8.2
68.05009	1.0
69.03439	9.8
70.06585	1.9
71.05019	4.2
71.51877	1.4
73.02892	3.1
78.93282	0.7
79.05519	0.7
81.03402	2.9
81.04540	5.4
81.07061	8.8
82.05299	2.9
83.06102	1.2
84.04494	2.1
85.02915	15.9
86.09718	0.8
87.04453	1.4
87.08101	1.4
91.03966	0.7
95.06098	12.6
97.02396	0.7
97.02913	6.1
98.97598	0.8
107.06101	1.1
109.02857	1.6
110.97629	0.8
111.05574	34.9
123.04585	1.3
123.05563	32.8
125.07095	3.6
127.03901	4.2
128.31490	0.7
135.04358	0.8
137.07022	0.8
139.03929	5.2
141.06601	71.1
145.77904	0.8
151.03806	0.7
162.81494	0.9
163.03891	1.6
163.12308	5.4
191.11794	2.8
193.13391	1.5
209.12874	7.3
221.10887	1.2
221.12863	14.8
222.84970	0.7
225.15828	0.9
234.98930	0.8
239.13914	25.5
241.15497	14.1
248.14961	0.7
253.15483	2.3
255.16832	1.5
271.16550	100.0
272.16937	1.1
289.07178	3.8
289.17581	25.4
415.20865	1.8
419.20129	0.8
433.21872	31.5
451.22940	63.6
452.23410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.0
55.01874	4.1
55.05519	27.7
55.57023	3.3
57.03436	10.0
61.02927	6.6
67.05510	51.5
69.03436	24.0
69.07072	21.8
70.06601	6.3
70.31589	4.0
71.05001	21.7
73.14883	3.4
79.05504	40.9
81.03432	28.1
81.07063	100.0
83.04994	16.2
83.08633	21.4
85.02907	38.9
85.06544	13.4
87.04509	4.1
90.75629	3.3
91.05489	43.3
93.07056	42.0
95.04967	10.8
95.08617	96.8
97.02901	14.3
97.06548	20.2
97.10193	8.3
99.04447	8.8
99.08085	8.7
105.07068	36.8
107.04971	5.8
107.08579	21.2
109.02864	11.5
109.06529	11.5
109.10170	13.1
111.08102	9.3
115.03889	3.6
117.07004	6.1
119.08598	38.7
120.08065	4.0
121.06538	3.6
121.10148	18.6
123.04436	5.6
123.08089	12.0
125.09628	3.9
127.03946	24.3
129.07063	4.0
131.08589	9.7
133.06535	6.0
133.10139	35.8
135.08041	4.9
135.11691	9.4
136.07549	4.3
137.13290	7.9
138.09232	5.6
145.05009	6.8
145.10107	7.1
147.04430	4.5
147.11693	4.3
149.09605	3.7
149.13268	4.5
153.01794	4.2
159.11662	5.2
161.09581	4.1
161.13272	60.3
176.31458	3.5
179.14334	58.9
197.15419	22.2
217.05083	4.5
237.15002	3.9
271.19095	10.3
287.05478	11.6
287.16364	12.3
289.06921	5.1
291.32410	4.8
304.05246	4.5
305.05588	8.9
305.17462	22.2
317.13745	6.9
323.18552	29.0
341.19592	71.1
359.21069	9.0
415.15781	4.1
451.10608	6.5
451.27881	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	451.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
58.99843	1.4
67.05521	1.7
69.07048	0.5
70.19244	0.5
70.19593	1.1
77.00917	7.1
79.05469	0.7
81.03412	0.6
81.07037	1.5
83.08604	0.5
91.05479	0.9
93.07021	0.4
95.01950	4.5
95.08585	1.3
98.21414	0.4
107.08588	0.5
109.10173	0.6
119.08569	0.4
122.76141	0.4
123.11691	0.7
131.01918	0.4
152.36626	0.3
165.11246	0.5
183.12297	1.0
191.12900	0.4
193.14354	0.7
201.09726	0.5
207.12277	0.7
209.13884	0.8
211.15436	1.6
213.09639	0.6
215.11372	0.4
217.10753	1.2
219.12256	7.5
225.13367	5.3
231.10773	0.6
233.10301	0.8
235.11736	2.2
237.13376	72.4
238.13628	1.2
243.14444	15.4
248.14896	0.5
253.12848	1.5
255.14442	100.0
256.14639	1.7
260.15015	4.7
261.15469	2.4
266.16074	0.9
273.15485	7.5
278.16034	8.4
296.17068	0.6
451.29117	46.4
452.29315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1918
Annotation	Pseudolycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.05492	0.8
58.02943	0.9
60.04495	0.5
61.02916	0.6
67.05494	1.3
69.03394	0.7
70.06547	1.4
71.52147	1.1
79.05448	0.9
81.07059	4.0
81.63686	0.5
83.04961	0.9
83.08601	1.0
84.04501	0.7
84.08111	1.4
85.02867	1.8
86.09627	0.6
87.13957	0.5
91.05447	1.4
96.08096	2.2
97.02885	1.4
97.06487	0.6
98.09700	3.2
109.06526	5.1
110.09702	3.3
120.08038	0.5
125.05993	1.0
136.07576	0.6
137.05934	1.7
138.09111	0.8
140.10698	2.8
142.91776	0.5
148.27766	0.5
151.02768	0.9
151.03912	14.0
166.08656	6.4
175.07510	0.5
175.11211	0.6
179.03371	0.5
179.79494	0.5
184.42244	0.4
189.05424	1.7
193.04906	0.7
203.10674	2.3
204.20520	0.5
205.04982	18.2
216.07800	1.6
229.08578	3.4
231.10175	55.8
233.08096	4.9
241.08656	0.7
259.09683	2.5
272.12830	42.6
290.13876	95.6
291.13788	1.5
302.99530	0.5
332.65067	0.5
452.19205	100.0
453.19464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02382	0.5
53.03947	0.7
55.01873	1.5
57.03434	1.1
59.07809	0.4
61.02921	1.9
65.03944	1.0
67.05507	1.1
68.99807	0.7
69.03432	3.2
70.06602	0.5
71.27287	1.0
72.08169	1.3
74.06050	0.5
76.28497	0.5
81.03413	2.3
83.04969	1.1
85.02907	10.5
87.04449	0.5
91.03951	0.5
91.05478	1.1
93.03404	1.2
95.04966	2.0
96.44630	0.4
97.02902	4.7
99.33879	0.5
109.02898	0.9
111.04449	2.2
115.05486	1.0
119.04954	4.3
120.08131	1.1
123.04432	61.4
127.03938	2.8
135.04416	1.0
136.07596	1.2
137.02287	0.5
137.05992	0.9
139.03906	100.0
140.04237	0.6
143.04935	0.8
145.04947	2.0
147.03229	0.9
147.04414	18.3
149.06024	0.6
149.07440	1.9
151.03923	4.6
151.07599	0.6
153.05464	1.1
159.04419	0.6
161.05978	4.8
163.03911	8.4
165.05479	16.7
169.05013	1.4
175.03853	0.5
177.05502	1.3
179.07016	1.9
181.04985	1.5
189.05472	2.0
205.05005	2.9
207.06534	5.0
217.04909	0.6
231.06479	0.6
231.11261	0.5
235.06029	0.9
235.10735	0.7
236.71658	0.4
247.06007	1.1
249.07542	0.6
265.07086	0.6
273.07565	3.1
273.12424	0.7
281.18753	0.6
283.08096	1.1
291.08636	33.3
291.13297	3.4
301.09207	1.7
315.08585	1.0
333.09558	0.6
357.09683	0.6
367.22879	0.5
411.51044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1395
Annotation	Epicatechin 5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03953	1.5
55.01876	2.8
55.10416	0.7
57.03442	1.3
61.02923	3.8
65.03954	0.9
67.01836	0.8
67.05516	1.1
68.99790	2.1
69.03450	5.7
70.06588	1.4
72.08170	0.9
73.02913	1.1
81.03422	2.6
83.04989	1.0
84.04476	1.0
84.08141	2.8
85.02917	19.7
86.09716	2.3
91.03983	1.1
91.05473	1.9
95.04963	1.2
97.02909	7.6
99.04471	1.0
103.03951	1.9
105.03439	1.2
107.04951	1.3
109.02882	2.6
110.85263	0.8
110.90311	0.8
111.04455	1.8
115.05412	0.9
119.04968	4.7
121.02827	0.9
123.04441	64.8
127.03923	5.3
132.08432	3.1
135.04471	3.7
139.03917	100.0
145.04953	4.1
147.04430	19.5
149.06026	1.4
151.03906	7.8
153.05524	1.1
161.06035	4.2
163.03920	21.5
165.05499	18.2
175.03879	1.8
177.05518	2.9
179.07068	1.8
181.04990	3.8
189.05481	1.6
193.04991	1.7
201.05522	0.9
205.04964	9.1
207.06540	3.6
217.05016	1.9
232.10445	1.0
235.06062	2.4
245.08966	0.8
247.06071	4.4
259.06009	1.5
265.07068	2.2
273.07608	4.1
273.12640	3.5
277.06976	1.1
283.08234	3.9
285.07532	1.1
289.07022	0.8
291.08655	24.1
291.13568	5.2
291.17114	1.4
297.90399	0.8
301.09302	6.8
303.08591	2.2
315.08676	3.3
333.09424	0.9
357.09619	2.6
369.09528	1.4
374.25482	1.0
453.13452	1.1
453.19254	2.9
454.26477	0.9
468.20935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01863	0.9
56.05012	0.4
57.03428	0.9
61.02938	2.2
65.03938	0.6
67.05487	0.6
68.04998	0.4
69.03433	7.1
69.07051	0.5
70.06573	0.5
70.18832	1.3
71.04987	0.8
72.11910	0.4
73.02902	1.1
79.05471	0.4
80.05025	0.6
81.03426	2.8
81.07038	0.5
81.80560	0.4
83.04982	0.6
85.02908	10.0
87.04457	1.3
91.05467	0.4
93.03413	0.6
93.07019	0.5
94.06557	0.5
95.04974	0.9
96.04465	0.5
96.08094	0.4
97.02898	5.0
99.04447	0.7
101.02361	0.4
108.04478	0.6
109.02882	1.7
110.06082	0.5
111.04427	0.6
119.04891	0.8
120.08113	0.7
122.06033	1.2
123.04436	13.3
124.07611	2.7
127.03927	2.4
134.06035	0.4
135.04460	0.9
136.03929	1.7
136.07605	0.7
137.02354	1.5
138.05501	0.5
138.09152	4.8
139.03912	18.6
140.07088	4.0
143.03754	0.4
145.04939	1.4
147.04427	3.3
150.05522	0.7
151.03909	1.2
152.04291	0.5
152.07094	1.7
154.05013	4.4
154.08647	3.0
160.07590	0.8
161.05931	0.4
163.03920	3.7
165.05496	2.3
168.06693	0.6
172.11214	0.4
174.09180	0.7
177.05470	0.6
178.05067	0.8
181.04984	0.8
182.08195	0.5
185.08392	0.9
185.10851	0.4
188.10756	0.8
190.08737	0.8
190.12285	0.8
196.06067	1.0
199.12149	0.5
200.09171	0.9
200.10916	2.6
202.08766	0.4
202.10892	0.5
203.11818	1.7
205.04979	1.3
207.06490	0.4
209.07198	0.5
210.09131	0.6
212.09515	1.0
213.08017	0.8
213.10214	1.0
214.09056	0.4
215.08189	0.8
215.11823	1.6
216.10284	1.5
216.12509	0.4
217.09645	0.7
217.13393	1.6
218.11830	1.0
226.07352	0.8
227.08209	3.1
227.11668	2.1
228.08234	0.7
228.10254	10.4
229.11159	0.7
230.11787	0.5
231.11363	1.1
232.12184	0.8
233.12880	0.6
234.07718	0.4
235.06154	0.5
240.09018	0.6
240.81076	0.4
241.09615	2.2
242.10529	4.9
243.11304	6.1
244.12051	2.4
245.12865	8.1
246.11238	4.8
255.11322	3.8
256.09714	1.8
257.12769	0.7
260.11545	0.8
261.12311	1.0
263.13934	0.9
273.07660	1.0
273.12360	15.6
274.10757	4.5
291.08853	3.3
291.13403	100.0
292.11575	0.7
355.05487	0.4
357.10248	0.5
435.17819	0.7
453.13342	0.8
453.19141	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05503	0.6
57.03424	1.8
61.02917	2.4
65.03931	1.1
67.05496	1.0
69.03429	6.4
70.06609	3.9
71.04978	0.8
71.09341	1.1
72.08141	1.9
73.02901	1.1
81.03420	2.6
83.05017	0.9
83.06116	0.7
84.04477	0.9
84.08083	0.8
85.02903	10.8
86.09708	3.4
87.04480	0.8
91.05475	2.8
96.08106	0.7
97.02898	3.6
99.04492	0.9
106.96730	0.6
108.08131	0.7
109.02883	1.5
110.06049	1.1
110.07162	1.2
119.04909	1.0
120.08128	1.4
121.06510	0.7
122.06020	1.1
123.04414	2.0
124.07610	3.4
127.03948	1.4
134.06013	0.8
136.03891	1.5
136.07607	1.2
137.02336	1.2
138.09131	3.7
139.03882	3.5
140.07082	3.7
145.04961	1.5
147.04410	2.4
150.05569	0.9
152.07083	1.6
154.04991	5.7
154.08614	2.7
157.08815	1.0
163.03926	1.0
164.07074	0.7
172.11220	0.9
174.09087	1.2
178.05037	0.7
185.08365	0.9
188.10785	0.7
196.06076	1.4
200.10667	2.1
203.08255	0.7
203.11780	1.2
209.06947	0.6
212.09425	0.9
213.08009	0.8
213.10088	0.8
215.11960	0.9
216.10304	1.5
217.13266	1.3
218.11781	1.8
226.07428	1.5
227.08150	2.4
227.11775	3.5
228.10205	11.2
229.11012	0.9
231.07719	0.8
231.11319	1.3
237.02983	1.0
241.09737	2.2
242.10555	2.8
243.11299	4.2
243.14932	0.8
244.12157	3.5
244.14980	0.6
245.12857	8.4
246.11244	6.0
255.11252	3.7
256.09717	1.7
257.12952	0.7
260.11423	1.2
261.12402	1.1
263.13953	1.0
273.12323	11.8
273.15173	1.0
274.10760	5.7
290.15723	0.7
291.13397	100.0
292.11798	2.7
453.18753	2.7
456.49548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
55.49910	0.6
57.03424	0.9
61.02910	0.6
63.79035	0.5
67.05475	2.0
69.03411	1.3
69.07059	1.1
71.05001	0.7
71.52956	1.0
72.20389	0.6
73.02914	0.8
79.05462	1.4
81.03410	0.9
81.07034	1.3
82.06556	0.7
83.08595	2.0
84.08146	1.0
85.02878	2.4
85.06537	1.6
86.09680	0.8
91.05475	1.2
93.07052	1.4
95.04955	0.8
95.08617	5.1
97.02877	1.2
100.07572	1.0
100.11255	8.7
104.10703	0.7
105.07064	0.7
107.08540	1.0
109.10131	1.1
110.06039	0.7
111.04422	1.4
119.08582	1.3
121.10094	1.1
123.04447	3.1
123.08057	1.9
128.07051	0.6
133.10101	1.0
135.04391	1.4
135.08064	1.2
139.03926	4.7
141.09106	1.2
147.04411	1.0
149.09596	0.8
151.03908	1.2
151.07527	1.0
157.10364	0.6
159.11729	0.7
161.09706	0.7
163.03908	7.7
164.07094	0.7
167.10660	0.8
182.15393	4.2
184.07324	1.9
185.04153	0.7
189.12717	0.8
193.04968	0.8
205.04968	1.0
207.13757	1.2
209.16473	1.5
210.14938	3.3
217.12125	0.8
219.09921	2.5
227.17586	0.6
243.06200	0.7
255.17479	0.7
273.14340	0.9
273.18524	1.8
291.15677	100.0
292.15945	1.3
340.25955	1.3
389.81204	1.5
444.33810	2.5
453.20963	95.9
454.20953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.03423	0.6
59.04972	0.7
67.05491	1.9
69.03413	1.2
69.07085	0.6
69.67477	2.6
70.06581	1.0
71.04993	0.6
79.05483	0.9
81.03394	0.8
81.07026	1.2
81.99040	0.6
83.04964	0.7
83.08609	2.1
84.04478	0.7
84.08114	0.7
85.02873	1.4
85.06502	0.9
87.04462	0.6
91.05473	0.7
92.94064	0.6
93.07041	1.1
95.08595	3.2
97.02871	0.9
100.11260	8.2
103.70593	0.6
104.10752	0.7
105.07069	0.6
107.04978	0.8
107.08594	1.2
109.06528	0.6
109.10109	1.3
111.04411	1.6
113.09594	0.7
117.03358	1.4
119.08533	0.7
121.10137	1.4
123.04424	5.6
123.08070	1.7
126.68872	0.6
127.03931	0.7
128.07094	1.0
135.04475	2.7
135.08095	0.8
137.09671	0.6
139.03908	8.4
141.09109	0.5
145.02882	1.3
145.10120	1.1
146.42809	0.6
147.04425	0.8
151.03896	1.2
151.07487	0.8
155.72058	0.6
157.10181	0.7
163.03925	11.7
167.10686	1.1
182.15390	3.5
184.07330	1.6
185.04102	0.7
189.12712	1.6
193.05040	3.5
205.04964	5.2
209.16502	2.5
210.14932	3.1
218.66342	0.6
219.09943	2.5
226.19238	0.8
227.17552	0.6
228.15799	0.7
241.07675	0.7
247.09818	2.8
255.17369	0.9
273.14780	1.0
273.18576	1.6
276.72995	0.8
285.10214	0.6
291.15689	100.0
292.16083	1.5
303.08658	0.9
326.28009	0.7
389.81210	2.2
435.33521	0.7
444.33978	1.8
453.20984	92.4
453.84332	0.8
454.21521	1.3
454.32825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02715	0.9
53.03948	2.5
55.01885	2.0
55.05514	5.3
55.70332	0.9
57.03432	5.0
57.07074	1.0
61.02923	4.6
67.05510	5.5
69.03430	17.0
69.07050	2.6
71.04991	3.3
71.52744	1.5
73.02908	3.1
76.89833	0.9
79.05472	5.4
81.03416	7.5
81.07061	11.9
83.04984	2.6
83.08628	3.5
85.02909	30.4
85.06538	5.6
87.04469	3.4
91.03957	2.9
91.05486	6.4
92.82925	1.0
93.07042	13.5
95.05002	4.7
95.08624	10.8
97.02887	12.5
97.06542	2.1
99.04449	2.6
100.07593	1.4
100.11259	4.7
101.02401	1.3
103.29551	0.9
105.07030	8.8
107.08583	5.1
109.02885	5.7
109.06509	4.9
109.10155	2.9
111.04479	1.9
111.08086	45.7
117.07031	1.4
119.08591	9.5
121.06524	3.8
121.10149	6.9
122.07317	1.5
123.08080	15.7
125.09660	1.3
127.03915	7.3
128.07117	0.9
129.07014	1.8
131.08583	4.7
133.06509	2.3
133.10141	9.8
135.08084	4.8
135.11685	2.9
137.09621	1.6
139.07506	1.1
141.05473	1.3
143.08595	2.3
145.04936	4.6
145.10123	7.8
147.08044	3.9
147.11723	5.0
149.09659	2.3
151.07545	60.4
153.09154	2.2
156.09367	3.2
157.10187	4.4
159.08043	5.4
159.11615	2.1
161.09622	4.8
163.11217	8.6
165.09067	1.7
167.42665	1.1
171.11719	4.0
173.09641	2.4
173.13318	1.8
174.10399	7.3
175.11221	2.8
177.09076	1.2
179.10684	11.4
181.12311	2.5
182.15457	2.8
189.12747	100.0
190.13104	1.6
191.14343	4.4
192.11487	1.7
197.11765	11.7
197.13316	1.8
205.12274	2.9
207.13811	52.9
209.16689	1.3
210.14978	3.6
211.14876	1.3
213.16382	1.3
215.14357	2.3
217.12303	2.7
231.17372	1.3
235.13261	4.0
255.17570	2.6
267.09177	1.1
273.18509	42.6
291.19559	22.3
306.75253	1.2
319.15344	1.5
369.19073	14.6
409.46753	1.0
444.16437	1.2
453.24942	37.8
453.34436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
53.08863	0.8
55.01860	1.5
56.05003	0.8
57.03420	2.9
60.95606	0.8
61.02903	3.3
67.05501	2.2
69.03435	11.1
69.07065	0.8
70.06579	3.5
70.07570	2.4
71.04987	0.9
79.05493	1.5
81.03429	4.1
82.06568	1.1
84.04469	0.6
84.08132	1.2
85.02438	1.2
85.02907	14.3
86.09695	1.7
87.04465	1.9
91.05468	3.0
93.07047	1.0
94.06570	1.9
95.04958	2.9
96.04472	3.4
97.02895	6.2
98.20898	1.0
98.97564	0.9
99.04445	1.3
106.06569	0.9
107.04927	1.3
108.04476	1.2
109.02851	2.2
110.06037	2.6
110.07120	0.9
116.07080	1.3
119.04945	1.6
120.08066	1.0
122.06063	1.2
124.07598	5.7
124.68938	0.8
125.05961	1.1
127.03881	2.9
134.06017	1.9
136.03918	3.0
138.05487	1.6
138.09143	1.0
139.03925	1.0
139.07535	0.9
141.05464	5.7
145.04941	1.5
147.04376	2.0
148.04678	0.8
148.07512	1.2
150.05502	3.8
150.09114	0.9
152.07066	7.1
154.04967	2.1
157.08771	0.9
160.04051	1.2
161.08334	0.9
162.12833	1.1
164.07062	1.6
168.06560	4.0
172.11156	0.9
173.09680	1.1
174.09140	1.0
175.09978	1.0
176.07045	0.9
176.10736	1.2
178.04948	5.7
178.08601	2.3
188.10695	1.7
189.09052	0.9
190.08710	1.0
190.12259	2.9
196.06067	11.4
200.10707	7.4
201.09061	2.2
204.06616	1.1
204.10208	2.0
206.11681	0.8
210.52388	0.8
216.10178	1.2
218.08253	1.0
218.11781	9.3
228.10248	15.4
229.08563	3.1
230.08002	0.8
230.11668	1.4
232.09756	2.7
234.11237	1.7
246.11266	16.4
256.09644	2.6
257.08078	1.4
262.10623	5.6
274.10742	42.6
275.08960	0.9
276.12216	1.2
291.13348	2.2
292.11758	100.0
293.11935	1.0
369.08380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.67781	0.5
55.05506	1.8
57.03440	2.8
57.07084	19.6
59.47207	0.5
61.52309	0.5
62.06093	24.5
67.05504	3.2
69.07075	3.9
70.91367	0.6
70.91702	0.7
71.08637	13.8
81.07059	6.1
83.08627	4.0
85.10190	7.6
95.08612	9.0
97.10174	2.3
98.98464	4.2
109.10179	3.8
123.11697	0.7
124.01612	1.3
142.02640	1.8
155.01047	5.6
173.02052	0.6
197.13268	0.5
198.05319	1.4
206.70284	0.6
216.06339	2.4
239.23680	1.5
282.27945	11.8
313.27386	100.0
314.27661	1.6
393.23914	6.8
436.27939	4.2
454.29263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69651	0.5
70.59305	1.1
94.93047	0.8
103.29306	0.5
112.89604	4.6
124.01092	0.5
166.42172	0.5
212.85417	2.2
214.85158	0.8
248.68927	0.5
272.77643	0.5
455.11661	100.0
456.12039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2644
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
55.05516	17.8
57.03421	5.0
57.07073	8.2
59.04991	5.1
64.96085	2.5
67.05511	19.7
69.03431	24.1
69.07061	7.0
70.02362	10.2
70.06586	3.6
71.04996	6.7
79.05492	12.7
81.03419	5.1
81.07059	34.1
83.04977	15.3
83.08623	9.9
85.02905	16.5
85.06552	24.1
91.05466	17.4
92.85720	2.5
93.07043	27.5
95.04967	7.2
95.08614	26.7
97.02921	5.2
97.06527	6.0
97.10164	5.2
99.08070	5.7
100.11239	5.8
105.07057	18.9
107.04945	9.9
107.08602	23.9
109.06516	7.1
109.10162	13.1
111.08106	31.4
113.06001	4.2
113.09681	5.5
114.09235	3.9
115.07561	5.1
117.07015	4.8
119.04976	20.9
119.08578	29.4
121.06502	10.7
121.10145	46.3
123.04414	8.9
123.08116	6.5
123.11694	21.7
125.09667	25.8
127.03911	9.3
127.07520	3.1
131.08606	15.5
133.10121	16.5
135.08057	12.5
135.11697	11.7
137.09608	10.6
139.11201	6.4
143.08588	6.2
145.10155	17.2
147.04420	62.6
147.11681	8.1
149.09634	18.1
149.13304	5.1
151.11163	4.5
153.09108	51.0
157.10175	5.4
159.11693	16.8
161.13235	5.3
163.11235	10.1
163.14833	4.5
165.09145	3.1
167.10753	4.5
170.15274	3.7
171.11661	7.0
173.13254	34.6
175.11220	3.9
175.14883	5.0
179.10646	5.6
181.12222	3.7
187.14807	24.1
191.14323	13.7
199.14871	6.2
201.12740	4.3
203.05315	3.2
203.14313	5.3
205.15927	4.4
209.15138	3.0
213.09129	4.2
215.14384	4.4
217.15829	4.5
219.08121	3.2
219.13878	9.0
229.19518	11.0
231.17383	4.0
233.15459	3.8
237.09111	11.1
239.17844	3.5
247.07603	4.5
247.20349	5.4
257.19058	19.3
265.08649	12.3
275.20068	100.0
277.81113	3.0
293.08054	9.8
293.21112	79.4
311.09155	15.0
426.52411	4.3
446.68985	2.8
455.22296	15.4
455.35666	8.3
457.04492	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	455.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76566	4.5
53.03937	9.5
55.05508	22.4
57.03441	7.5
59.05010	6.9
67.05518	37.5
69.03419	23.3
69.07055	18.6
70.06573	7.6
70.83820	11.2
71.04981	10.1
79.05509	26.6
81.03391	15.7
81.07064	49.9
83.04984	20.4
83.08624	13.6
84.04520	7.0
85.02902	25.2
85.06550	34.7
91.05483	23.4
93.07051	40.4
95.04964	19.9
95.08612	34.8
97.02906	12.8
97.06545	8.7
97.10166	15.4
99.08102	9.9
105.07036	32.5
107.04968	11.6
107.08617	42.9
109.06526	12.2
109.10168	28.1
111.04453	10.5
111.08082	21.6
113.09652	6.9
119.04973	13.5
119.08569	28.5
120.08076	6.6
121.06477	10.1
121.10157	65.2
123.04409	21.6
123.08073	8.5
123.11691	14.1
125.09640	22.6
127.04000	6.6
131.08553	12.5
132.10657	5.4
133.10167	26.8
135.08067	10.7
135.11710	17.7
137.09622	24.8
139.11157	7.6
143.08635	7.2
145.10126	16.3
147.04391	51.3
147.11670	16.6
149.09637	22.4
153.09062	27.3
157.10103	6.9
159.08060	6.4
159.11703	17.3
161.09654	8.3
163.11131	13.7
163.14784	7.4
165.09128	9.0
167.10684	7.7
171.11670	7.1
173.11945	5.5
173.13248	25.0
175.11259	5.3
179.10620	13.4
184.61963	5.1
187.14801	5.3
189.12738	6.1
191.14307	12.0
199.14787	8.7
201.12784	10.4
215.17976	6.6
217.15941	8.3
219.13750	14.5
230.66759	5.1
233.15170	6.6
247.20374	12.9
257.19031	23.8
275.20090	100.0
291.30463	5.2
293.21091	96.1
341.09161	6.4
353.48883	6.0
437.25018	6.2
455.21088	8.5
455.26382	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	457.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84976	0.5
58.26778	0.5
68.99794	11.0
70.37091	1.8
79.01852	4.3
84.64350	0.6
97.02902	1.1
99.95484	0.6
107.01330	0.9
111.00826	3.9
117.07021	0.7
123.04462	0.6
125.02344	2.5
127.03927	8.4
139.03877	0.8
143.03394	5.8
145.06506	1.9
147.04416	1.2
149.02408	1.2
151.03915	2.5
153.01837	100.0
153.02901	6.1
155.04988	0.6
157.06480	1.2
163.03951	1.0
171.04407	7.8
173.05986	3.5
175.03928	2.9
177.05428	1.0
179.03403	17.8
183.04584	0.7
185.05965	2.6
189.05496	1.6
194.94597	0.7
197.05879	0.6
199.03920	14.9
201.05464	7.0
203.03445	4.7
213.05457	6.6
217.04964	7.3
217.88979	0.6
219.06529	7.6
222.67267	0.6
224.37160	0.6
227.03419	4.3
229.05055	1.4
231.06493	1.3
239.85571	0.6
241.04971	6.0
245.04430	13.5
245.06767	1.0
257.04547	1.4
259.06201	1.4
269.04486	5.1
277.00452	0.8
287.05511	83.3
288.05881	1.0
303.05057	7.1
305.06592	4.1
331.04480	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	457.1119
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03957	4.4
55.01863	1.0
57.03442	6.3
59.04994	3.5
69.03090	0.8
69.03432	13.1
70.02957	0.8
70.06566	2.3
70.86358	1.8
71.01345	0.6
71.04997	7.6
72.08154	1.2
73.02914	4.3
78.14196	0.7
81.03422	21.1
84.08107	1.0
85.02895	1.6
86.09682	1.6
87.04441	1.1
88.04013	3.3
94.06572	4.3
98.97868	1.2
98.98469	15.4
99.04461	10.6
104.03420	1.0
116.07079	0.8
117.05502	7.2
118.06509	1.1
127.03873	1.2
145.07605	2.2
146.06042	6.3
147.09180	2.7
157.07591	2.1
159.09142	3.8
163.03847	0.8
170.07195	0.8
171.09167	0.6
172.08707	24.6
173.07118	3.5
173.10713	0.9
174.04042	1.4
174.05484	2.8
174.10216	0.8
175.08664	2.3
183.09135	0.8
184.08693	1.4
185.10783	1.1
186.10341	1.6
191.08229	0.9
197.09450	1.2
197.10973	0.8
198.06636	7.0
198.10223	2.3
199.12402	1.3
200.08202	2.8
202.03496	1.6
209.10851	1.6
210.10301	1.9
214.09744	4.5
215.03264	0.7
216.05632	1.1
216.07698	17.0
218.09288	3.2
219.07655	2.6
224.11787	2.0
226.09790	1.0
228.11421	0.7
229.08479	2.9
240.11375	0.9
243.08789	51.7
244.07217	2.9
247.05992	1.0
254.12778	0.8
257.10266	1.1
270.12598	0.8
277.08133	1.6
285.09802	1.4
287.05521	1.0
295.09140	2.0
297.09937	1.6
298.11902	1.0
307.08493	1.0
315.11136	0.9
316.13013	3.0
323.11392	2.8
334.09546	1.9
334.14105	1.0
341.12460	9.1
359.13510	39.2
377.14630	2.8
396.09531	7.0
397.08066	2.1
403.07797	0.9
414.10596	9.3
415.08707	0.9
421.09134	4.8
439.10147	100.0
440.09720	2.1
457.11191	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
54.75900	1.3
57.03431	5.8
59.04985	2.3
69.03438	14.6
69.80521	8.2
70.02961	7.9
70.06606	8.4
71.04986	3.7
72.08154	2.9
73.02928	3.1
74.02433	2.5
81.03435	12.4
84.04500	1.7
84.08140	4.8
85.02921	9.3
86.02430	3.0
86.09698	4.4
87.00848	2.0
88.03999	48.8
94.06580	51.9
97.02903	4.9
98.98500	10.5
99.00832	2.8
99.04466	7.7
104.03476	15.8
104.04993	2.8
110.07185	2.1
116.03439	2.9
116.07131	2.1
117.05486	5.8
118.06522	4.3
120.04464	9.8
127.03905	5.3
130.05034	2.8
132.04485	4.3
136.07568	3.7
146.06030	100.0
150.05495	4.8
153.01840	3.6
156.02950	7.4
158.04567	1.7
158.05992	1.7
172.08740	13.9
173.07147	4.0
174.03993	15.2
174.05524	43.8
175.08685	4.0
186.75058	1.5
188.07190	1.7
192.06586	7.7
198.06630	3.5
200.08212	3.3
202.03479	23.4
204.06630	2.0
214.09833	2.2
216.07787	11.0
219.07785	1.8
231.05029	6.7
233.09074	2.5
243.08809	28.9
259.07260	1.5
277.08249	21.1
287.05261	2.0
295.05920	2.1
295.09238	30.6
334.09610	2.1
341.12558	5.2
359.13519	21.9
377.15063	1.8
396.09485	4.1
414.10776	7.2
421.08829	2.1
439.09991	54.8
457.11069	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.6
66.44102	0.5
66.73849	0.6
69.17952	4.1
69.18378	1.0
70.06596	1.8
70.38937	0.5
84.08154	47.2
85.02874	1.0
86.09684	0.7
97.02928	0.8
103.05489	0.6
110.07144	0.5
112.07619	100.0
119.01917	1.1
120.08122	10.4
121.08478	1.6
127.03918	0.6
130.08664	3.4
136.06187	1.3
145.96773	0.5
146.06018	1.2
148.55188	0.6
153.01872	5.0
155.01898	1.7
161.03079	0.6
163.03957	0.7
166.08670	5.0
167.09021	0.7
173.03024	1.2
179.03442	1.1
184.96503	0.6
197.06596	1.0
203.03961	0.6
221.05128	4.6
245.04762	0.9
269.04965	0.7
274.12961	1.9
275.02606	1.1
275.09879	0.5
277.00055	0.8
287.05463	4.1
292.14050	0.9
293.11172	0.7
305.06708	0.6
335.11884	1.4
360.35208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.166
Annotation	Calanthoside
Peak:m/z	Relative Intensity
55.01868	1.0
56.05050	0.9
57.03440	1.0
60.04256	0.6
60.99941	0.8
61.02909	1.0
69.03429	3.9
70.06601	11.5
72.08141	1.3
74.02454	1.0
80.24785	0.7
81.03415	2.9
81.07072	0.8
82.06568	0.9
84.08118	2.2
85.02904	7.1
86.09688	1.7
97.02888	3.2
99.04469	1.0
107.04918	0.7
109.02879	4.9
109.06499	0.9
112.11226	0.9
116.07088	7.6
124.07584	1.2
127.03905	2.5
129.10345	0.9
136.07623	1.2
145.05005	1.5
151.03889	2.1
152.07051	1.7
157.04936	0.9
161.05956	1.1
161.09607	0.9
163.03909	13.9
164.04259	1.4
165.05444	1.1
177.05476	16.1
179.08531	2.0
185.05925	0.9
187.07564	6.6
189.05475	23.1
189.09123	1.0
191.07018	2.3
207.08031	6.0
214.08638	2.3
215.06993	1.4
216.10236	10.5
217.08647	6.9
232.09702	20.8
233.08107	1.4
234.11215	2.7
235.07491	2.9
243.06499	1.1
252.10185	8.9
275.08578	0.8
278.10248	100.0
279.10587	0.9
296.11313	18.0
296.14944	5.1
297.12299	3.5
298.10648	1.1
315.13303	7.1
327.54294	0.8
338.08917	1.0
383.13666	1.0
398.02423	1.1
440.15396	15.3
458.16135	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	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.3
55.01858	7.6
55.05506	30.0
57.03448	7.7
57.07080	7.6
63.31559	7.2
67.05512	100.0
69.03078	8.4
69.03434	63.7
69.07069	34.7
69.56901	37.4
71.05011	12.4
71.88304	6.5
73.02898	9.2
79.05506	69.1
81.03429	85.4
81.07062	94.6
83.04975	17.9
83.08600	19.3
85.02914	49.1
91.05493	55.0
93.07055	94.2
95.04971	12.2
95.08611	76.6
97.02903	43.5
97.06465	8.9
97.10179	8.9
98.20798	6.6
99.04455	15.8
105.06440	8.9
105.07029	52.0
107.04924	6.4
107.08625	48.5
109.02872	32.3
109.06518	9.0
109.10157	42.5
111.04436	7.1
111.08108	7.3
115.93549	5.7
117.07013	32.3
119.08585	34.4
121.10136	56.8
121.34591	6.8
123.08108	10.0
123.11691	8.9
125.09660	11.4
127.03922	27.0
129.07011	12.3
131.08562	39.2
133.10156	30.6
135.11687	30.1
143.08546	14.8
145.05022	10.0
145.10124	29.2
147.08028	9.4
147.11678	26.3
149.09598	8.0
149.13264	17.2
157.10179	9.2
159.11729	28.1
161.13290	10.6
171.11674	6.6
173.13229	16.2
183.11720	9.1
185.13319	8.5
187.14807	9.0
199.11142	10.0
241.87671	6.9
259.20520	7.5
261.22174	23.1
277.21609	8.8
289.21866	8.0
301.21710	11.9
303.23227	9.0
315.23331	9.8
351.23053	14.6
369.24292	37.3
387.25446	35.1
405.26495	36.5
423.27426	16.4
432.78006	6.8
457.81445	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
54.30203	2.8
55.01862	12.9
55.05503	11.5
57.03431	3.9
67.05508	56.7
69.03434	44.2
69.07044	9.2
70.58305	2.6
71.04980	10.8
71.52822	4.1
73.02895	7.3
79.05499	29.3
81.03424	39.8
81.07066	49.9
83.08616	7.4
85.02911	9.0
91.05511	17.6
93.07053	35.1
95.08614	36.5
97.02895	42.6
98.21287	3.7
99.04461	61.2
101.02392	4.4
105.07037	15.0
107.08593	19.7
109.02896	30.5
109.10165	24.0
111.04439	6.0
117.07039	4.3
119.08588	10.2
121.10168	19.2
123.11692	8.0
127.03927	100.0
131.08562	11.9
133.10101	6.2
135.11693	11.8
136.65044	2.8
139.76326	2.8
145.04944	19.2
145.10081	5.5
147.11687	7.9
149.13264	3.7
157.10040	2.9
159.11652	9.0
161.13260	8.0
169.88663	3.0
173.13274	6.4
187.14838	3.3
205.30208	2.8
213.14920	3.0
243.21121	6.9
259.20462	5.6
261.22122	25.6
277.21573	6.3
279.23206	7.2
387.25327	3.9
395.50949	3.2
405.26224	9.6
423.27423	35.6
458.23492	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	459.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01864	0.6
57.03440	2.1
60.22882	0.4
61.02934	2.4
69.03130	0.5
69.03434	4.2
71.04978	0.8
73.02890	0.6
81.03419	2.2
81.07048	0.5
83.01306	0.4
84.08087	0.5
85.02914	13.1
86.09702	0.8
87.04486	0.5
87.08109	1.4
91.05452	0.8
95.04964	0.6
97.02898	4.3
98.20734	1.0
99.04449	0.7
109.02858	1.3
109.06509	0.9
127.03910	2.1
137.06012	3.5
139.03842	1.1
145.04965	2.1
147.04416	0.6
159.08025	0.6
163.03947	1.2
163.07550	0.5
167.03415	0.8
176.04630	0.7
177.05464	0.9
179.03438	0.8
181.05020	1.1
181.08655	0.5
185.04420	1.5
187.07527	0.4
191.07022	1.5
193.04982	1.7
195.06538	0.8
197.04466	4.0
197.05949	0.7
203.03418	1.8
204.04253	3.2
205.04970	2.0
205.08578	1.0
209.08124	1.9
211.02548	0.4
211.06007	3.8
215.07051	1.6
217.04953	1.9
219.06541	2.6
221.04405	2.2
222.05206	2.2
223.06044	3.2
223.09665	0.6
232.03622	0.5
233.08109	1.9
235.06044	3.5
236.06584	0.5
237.07605	4.8
243.06566	6.6
250.04803	1.2
251.09204	2.1
261.07593	16.9
265.10678	2.2
266.10953	2.9
279.08646	100.0
280.09012	0.9
297.09680	1.7
297.13022	0.4
438.85419	0.5
459.29269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46172	1.1
53.03942	3.0
55.01855	3.7
55.05281	1.1
55.05513	13.1
57.03439	2.5
57.07081	8.3
60.99170	0.9
61.02895	1.5
65.03919	1.3
67.05507	11.9
69.03426	7.2
69.07055	3.3
71.04992	1.6
73.02912	1.2
78.33434	0.8
79.05497	14.5
81.03429	9.4
81.07056	12.0
83.04972	3.3
83.08617	4.0
83.41180	1.0
85.02911	12.8
86.09683	1.0
87.08109	38.5
90.96582	0.9
91.05495	13.2
93.07045	9.4
95.04970	8.7
95.08613	6.3
97.02894	5.6
97.06531	4.4
97.10167	4.4
98.18019	0.9
98.21515	2.2
99.04461	2.1
103.05477	1.0
105.07040	11.3
107.04953	3.6
107.08598	7.2
109.02871	1.2
109.06506	2.8
109.10135	5.5
111.04456	1.1
111.08069	2.8
115.05376	1.1
117.07016	4.4
119.04943	2.8
119.08588	5.2
121.06483	5.0
121.10130	4.2
123.04449	1.8
123.08090	2.0
125.09614	3.3
127.03928	3.4
128.06250	1.3
129.06999	4.1
131.08586	6.0
133.06508	2.6
133.10153	6.6
133.43387	1.1
135.08066	3.3
135.11684	1.1
137.05997	1.5
137.09622	2.1
141.06989	2.0
143.08585	2.3
145.04959	2.8
145.06477	5.3
145.10135	3.7
147.04422	5.8
147.08058	3.1
147.11703	2.5
149.09622	3.3
151.03868	1.7
151.07497	2.2
151.11186	2.3
153.09113	2.1
155.08534	3.1
157.06483	1.9
157.10139	3.2
159.08067	1.4
159.11664	1.6
161.05966	1.1
161.09615	1.6
163.11211	2.0
165.05508	2.4
165.09087	6.0
167.08513	1.0
169.04970	3.7
169.06427	1.1
169.10165	2.8
171.08035	1.7
171.11656	1.9
173.09656	2.0
175.03981	2.3
175.11191	2.1
179.03456	2.5
181.05019	1.4
181.10091	1.4
183.11658	1.2
185.09715	1.4
185.13184	1.4
187.11255	1.1
193.04979	14.0
193.12299	2.5
195.11717	1.2
197.04466	13.9
197.09563	1.0
197.13327	1.5
199.11232	1.5
205.12276	1.8
209.13254	1.2
211.06029	100.0
215.14369	1.9
223.05925	1.2
225.12868	1.0
233.15424	3.7
237.13042	1.1
255.13913	1.3
265.10687	18.5
267.12292	6.3
273.14874	2.0
339.23019	1.9
349.21652	4.3
357.24774	1.4
367.22696	14.5
373.11176	2.6
385.23746	14.1
403.24979	1.3
405.24255	1.5
426.17072	1.0
441.26248	5.4
459.27435	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01859	3.9
55.05515	16.5
55.94773	1.1
57.03425	3.7
57.07082	7.8
61.02921	1.5
64.05898	0.9
65.03938	1.6
67.05504	17.1
69.03423	10.1
69.07070	5.2
69.34828	3.5
69.35257	5.7
71.04990	2.2
73.02914	1.6
79.05502	15.5
81.03426	12.5
81.07059	13.5
83.04977	3.7
83.08611	6.5
85.02906	13.0
85.06539	1.8
87.08108	37.4
91.05485	15.2
91.29626	1.0
93.07048	12.0
95.04980	8.2
95.08598	7.0
97.02909	5.4
97.06525	3.7
97.10175	9.4
98.21636	1.7
99.04432	1.9
105.03423	1.1
105.07036	9.9
107.04934	7.5
107.08595	10.0
109.02849	2.0
109.06511	4.3
109.10136	6.5
111.04424	1.5
111.08082	2.5
113.05996	2.9
115.05435	1.4
117.07016	5.4
119.04915	2.0
119.07822	1.3
119.08551	6.8
121.06503	4.7
121.10159	4.2
123.04408	2.5
123.08094	2.2
123.11737	1.2
125.05909	1.1
125.09661	7.0
127.03920	4.6
128.06192	1.7
129.07021	5.2
131.04942	4.1
131.08568	7.4
133.06470	4.1
133.10114	7.5
135.08078	3.6
135.11758	1.5
137.05980	2.0
137.09645	1.3
141.07008	3.0
143.08574	4.2
143.44756	1.1
145.04921	3.2
145.06487	9.6
145.10120	3.2
147.04436	6.9
147.08060	3.4
147.11699	4.2
149.02342	3.6
149.09644	2.1
151.07597	1.7
151.11182	2.4
153.09081	2.1
155.08534	4.2
157.06487	1.3
157.10114	2.6
159.08038	3.8
159.11694	1.8
163.11185	2.1
165.05464	2.5
165.09116	2.0
169.04927	3.7
169.10144	1.4
171.08025	3.7
171.11716	1.5
173.09654	1.8
175.03914	3.3
175.11244	2.5
179.03444	2.3
181.05029	1.7
181.10123	1.6
183.06564	1.4
183.08165	1.7
183.11743	1.4
185.04529	1.5
185.09694	2.0
185.13315	1.6
189.11226	3.1
189.12762	1.8
193.04979	17.0
193.10374	1.3
193.12102	5.3
195.11760	3.0
197.04471	14.9
197.09445	1.2
197.13255	1.6
199.11229	2.3
205.12241	1.5
211.06015	100.0
215.14224	1.4
217.12279	1.4
223.55785	1.0
227.14290	1.7
233.15393	2.9
237.12854	1.9
255.13899	2.3
257.15305	1.4
265.10730	15.4
267.12283	4.9
273.14865	6.1
280.06064	1.3
297.13348	1.7
339.23245	3.3
349.21561	7.1
352.53076	1.2
357.24261	2.2
367.22690	18.4
373.11331	2.0
385.23761	19.0
397.06796	1.3
403.24829	3.1
405.24420	2.0
409.11917	1.2
423.25290	2.0
441.26401	4.8
459.27417	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	459.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83428	0.6
52.60052	0.6
53.03930	1.9
55.01856	2.3
55.05273	0.7
55.05510	9.4
57.03418	2.0
57.07081	8.5
61.02911	1.5
67.05506	8.7
67.91061	0.6
69.03427	7.0
69.07049	1.7
69.77111	1.9
69.77517	1.6
71.04977	1.9
73.02899	1.0
79.05495	7.3
81.03039	0.5
81.03423	5.1
81.07057	7.0
83.04977	1.6
83.08594	2.1
84.66846	0.5
85.02903	9.5
85.06445	0.7
87.04433	1.1
87.08109	37.2
87.98461	0.6
88.02220	0.5
91.04974	0.9
91.05485	8.8
92.44682	0.8
93.07043	5.3
95.04986	5.2
95.08588	2.2
97.02894	4.0
97.06532	3.2
97.10166	1.5
97.88100	0.6
99.04473	1.5
101.01705	0.6
105.07041	4.8
107.04932	2.7
107.08601	3.0
109.02875	1.3
109.06508	2.5
109.10176	3.4
111.08062	2.2
111.51114	0.6
117.06995	2.8
119.04910	2.1
119.08582	2.1
121.06478	1.7
121.10112	1.3
123.04392	1.8
123.49475	0.6
125.09625	1.5
127.03919	3.0
129.06987	1.8
131.04939	0.8
131.08577	3.6
133.06538	1.3
133.10133	4.2
135.04431	0.6
135.08037	1.8
135.11630	0.8
137.05923	0.8
143.08607	1.6
145.04941	2.2
145.06467	2.2
145.10098	1.3
147.04414	6.7
147.08029	1.3
149.09595	0.9
151.03880	1.3
151.11203	1.1
153.09087	1.5
155.08551	1.7
157.06456	0.9
157.10065	1.6
159.11674	1.0
161.06006	1.0
163.11197	1.1
165.05447	2.4
169.04942	2.8
169.10118	0.8
171.11653	1.2
173.09566	1.1
175.03906	2.8
175.11122	0.9
179.03410	2.6
181.04926	1.6
181.10136	0.9
183.06512	1.5
183.11642	1.1
185.13348	0.7
187.11032	0.9
187.14952	0.8
189.11169	1.3
193.04973	15.5
193.12273	2.0
197.04465	14.2
197.13211	0.8
211.06021	100.0
215.14322	1.0
217.10576	0.9
265.10696	15.3
265.13498	1.0
267.12274	6.1
297.13269	2.0
339.23032	0.7
349.21536	1.3
357.24167	1.1
367.22769	5.6
373.11368	1.9
374.56448	0.7
385.23825	8.0
403.24707	1.4
404.10413	0.7
408.86880	0.9
441.26450	2.0
459.27408	26.2
459.33878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01855	2.2
55.05515	14.0
57.03421	1.8
57.07076	7.4
59.11974	0.5
60.72597	0.5
61.02901	1.9
65.33493	0.4
67.01866	0.6
67.05511	8.6
67.81997	0.4
69.03088	0.5
69.03429	7.4
69.07050	1.9
70.91348	1.1
71.04979	1.8
73.02894	0.5
79.05499	7.5
81.03002	0.7
81.03420	7.5
81.07053	7.8
83.04957	1.7
83.08624	4.1
85.02908	11.0
87.04472	0.7
87.08112	35.3
91.03951	0.6
91.04985	0.6
91.05493	8.3
93.06472	0.6
93.07040	5.5
95.04978	4.4
95.08604	3.4
97.02407	0.4
97.02914	5.7
97.06560	2.8
97.10177	3.7
99.04435	1.4
99.08073	0.6
103.05482	0.8
105.07039	4.9
107.04948	4.7
107.08615	4.3
109.02898	0.9
109.06509	1.6
109.10149	3.2
111.08073	2.4
117.07014	2.6
119.04923	2.6
119.08588	3.3
121.06539	3.0
121.10134	1.2
123.04420	1.4
123.08067	1.2
123.11714	0.7
125.09633	4.0
127.03928	3.6
128.06261	0.7
129.06990	2.4
131.04916	1.3
131.08568	3.7
133.06482	1.5
133.10135	2.3
135.04448	0.7
135.08055	1.3
135.11693	0.7
137.05962	1.5
137.09627	0.8
139.07541	1.2
141.06989	1.3
143.08549	1.7
145.04955	3.4
145.06508	5.8
145.10103	1.4
147.04417	7.4
147.08052	1.9
147.11691	1.3
149.09642	1.3
151.03915	1.5
153.09103	1.2
155.08546	1.1
157.06470	1.5
157.10107	1.9
159.08058	1.7
159.11679	0.8
161.06007	1.3
161.09593	0.9
163.11176	1.0
165.05469	2.5
165.06885	0.7
165.09122	3.4
167.08521	0.6
169.05002	3.4
169.10101	1.1
171.08076	1.2
171.11629	1.1
173.09633	0.7
173.13307	0.6
175.03943	3.7
175.11243	1.1
179.03465	2.9
181.04988	0.9
181.08592	0.9
181.10132	0.7
183.06534	1.0
183.08008	0.6
183.11668	0.6
185.09708	1.1
185.13293	0.6
187.14775	0.6
189.11221	1.9
193.04976	16.0
193.06750	0.8
193.12219	2.8
195.11649	1.1
197.04472	13.5
197.09572	0.5
197.13341	0.8
199.11212	0.9
205.12244	0.6
211.06023	100.0
212.06403	1.0
213.12755	0.8
215.14307	1.1
225.12674	0.6
233.15372	1.3
255.13791	0.8
258.52469	0.5
265.10733	14.3
267.12274	6.4
271.16907	0.6
273.14935	3.3
287.16507	1.2
297.13409	1.3
303.83008	0.6
339.23215	1.5
349.21768	2.9
357.24332	1.5
367.22711	10.6
373.11447	1.8
385.23730	9.7
403.24768	1.9
423.25327	0.7
427.15997	1.2
441.26581	2.1
459.27429	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	459.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78154	0.5
53.03944	1.1
54.91330	0.6
55.01855	1.9
55.05516	9.3
57.02040	0.6
57.03420	1.9
57.07080	9.1
61.02914	1.1
67.05511	7.1
69.03424	6.4
69.07054	2.4
69.77232	1.3
69.77599	3.0
71.05000	1.0
73.02892	0.7
75.41163	0.6
79.05491	6.0
79.77241	0.8
81.03429	5.1
81.07055	6.0
83.04965	1.0
83.08597	2.1
85.02909	8.9
87.04446	0.6
87.08111	36.6
91.05473	5.4
93.07068	4.3
95.04950	2.4
95.08587	2.8
97.02905	3.4
97.06567	3.0
97.10193	3.4
99.04430	1.3
101.80550	0.6
103.03886	0.8
105.03387	0.6
105.07050	3.8
107.04932	2.6
107.08578	3.9
109.02849	1.7
109.06504	1.5
109.10152	2.0
111.08103	1.0
117.07012	3.6
119.04907	1.9
119.08552	2.5
119.87793	0.6
121.06487	1.9
121.10172	1.1
123.04430	1.4
123.08076	1.3
125.09608	2.5
127.03888	3.0
129.07001	2.2
131.04922	1.9
131.08546	2.6
133.06520	1.5
133.10146	1.7
135.08058	1.2
135.11646	0.8
137.09612	1.5
139.07565	0.7
143.08611	1.1
145.04950	2.8
145.06488	4.6
145.10129	1.0
147.04428	7.1
147.08046	1.9
147.11725	1.5
151.03854	1.4
155.08551	1.2
157.10201	1.4
159.08040	1.0
159.11569	0.8
161.05901	0.7
161.09596	0.9
165.05486	2.1
165.09161	2.9
169.04987	2.8
175.03946	3.0
175.11237	1.2
179.03410	2.5
181.04955	0.8
185.13263	0.7
189.11221	1.3
193.04979	13.7
193.06694	0.8
193.12221	1.8
197.04465	14.6
205.12335	0.6
211.06021	100.0
212.06381	0.9
213.12784	0.7
215.14296	0.7
223.05980	0.7
227.14491	0.8
233.15334	0.9
239.14188	1.2
265.10727	15.2
267.12286	6.0
273.14920	2.8
297.13293	1.7
321.22235	0.7
339.23187	1.1
349.21613	1.7
352.76953	0.7
367.22763	8.1
373.11270	2.2
385.23801	7.9
403.24722	1.4
427.15891	1.0
441.26376	2.5
459.27405	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01873	5.6
55.05269	1.3
55.05513	17.0
57.03442	5.1
57.07074	5.8
61.02906	1.0
65.03927	2.3
66.98559	0.8
67.05508	24.0
69.03433	5.6
69.07070	7.1
71.04977	2.3
73.02908	1.1
79.05495	24.5
79.91149	0.8
81.03423	11.5
81.07056	23.9
81.87605	0.8
83.04976	5.1
83.08625	6.1
85.02914	7.2
85.06517	1.1
87.08112	25.4
91.05486	21.6
93.07048	14.8
95.04971	14.6
95.08623	9.6
97.02909	4.7
97.06541	4.1
97.10182	6.9
98.21545	1.9
99.04445	1.7
99.08104	0.9
105.07033	18.2
107.04962	9.9
107.08598	14.0
107.09731	0.9
109.06496	4.9
109.10160	11.2
111.04424	1.2
111.08103	2.4
116.72970	0.8
117.07025	7.5
119.04927	1.5
119.08591	7.6
119.69407	0.8
121.06525	5.8
121.10142	3.0
123.04412	2.0
123.08068	2.8
123.11671	1.8
125.09654	6.1
127.03918	2.7
128.06192	2.4
129.06999	6.0
131.04939	1.5
131.08565	8.3
133.06482	3.1
133.10123	17.1
135.04404	1.5
135.08034	5.0
135.11691	3.6
137.06047	1.5
137.09627	2.1
141.06982	2.5
142.07837	1.2
143.08554	5.8
145.04973	2.2
145.06490	4.7
145.10129	6.1
147.04388	4.8
147.08018	4.1
147.11690	2.6
149.09607	3.3
151.11165	6.4
153.09094	2.4
155.08540	4.5
157.06480	3.2
157.10201	4.1
159.08040	5.6
159.11716	2.4
161.06038	1.2
161.09610	3.1
161.13194	1.0
163.11185	3.7
163.57530	0.8
165.05516	0.9
165.07091	1.1
169.04994	1.5
169.10152	2.0
169.12282	1.2
171.08054	2.9
171.10350	1.0
171.11703	4.4
173.09616	2.6
175.03886	2.5
175.11185	3.2
179.03366	0.9
179.08543	1.0
179.10828	1.0
181.10138	2.5
183.08058	1.1
183.11760	2.0
185.09673	1.7
185.13275	2.6
187.11249	1.8
187.14844	1.1
189.09270	1.1
189.11224	3.9
189.12746	1.3
193.04971	10.9
193.12209	5.0
195.11714	1.6
197.04446	9.3
197.09541	1.0
197.13277	3.4
199.11240	2.7
201.12794	1.0
205.12175	1.6
207.13889	2.4
211.06024	64.3
213.12808	1.4
215.14420	3.9
219.13834	0.8
223.05975	0.9
223.11281	1.4
227.14328	1.5
231.13905	1.0
233.15364	4.1
237.12578	1.2
249.14867	1.5
257.15463	1.3
259.13339	1.1
261.14932	1.1
265.10699	9.1
267.12314	4.1
269.15305	1.4
271.17001	1.8
273.14920	2.0
273.18524	1.2
287.16507	2.0
297.13269	1.1
321.22076	1.2
339.23132	3.6
349.21600	4.9
357.24203	5.6
361.20206	2.4
367.22684	19.9
385.23734	33.9
403.24789	4.2
423.25372	1.6
441.26257	4.4
459.27429	100.0
460.27548	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	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01877	5.1
55.05515	20.5
57.03449	4.0
57.07077	1.7
65.03940	1.2
67.05510	21.5
69.03436	3.1
69.07070	6.8
70.22445	0.5
71.01344	0.6
71.04992	1.7
71.36786	1.1
79.05500	23.2
81.03426	12.8
81.06590	1.0
81.07064	18.7
83.04978	3.5
83.08157	0.9
83.08627	10.0
85.02898	2.4
85.06542	2.2
87.08109	6.4
91.05486	18.1
93.07053	13.4
95.04985	10.4
95.08614	10.5
97.02891	1.2
97.06528	2.6
97.10178	14.3
99.85349	0.5
103.05457	0.6
105.03403	0.6
105.07040	15.0
107.04970	12.2
107.08607	12.3
109.06532	4.2
109.10164	7.8
111.08099	2.4
113.06045	0.8
113.70788	0.6
115.05458	2.0
117.07031	9.2
119.04945	1.9
119.08582	7.5
121.06516	8.7
121.10137	4.5
123.04430	1.2
123.08075	3.7
123.11726	1.5
125.05984	0.9
125.09637	11.1
127.03917	1.0
128.06227	1.7
129.07004	7.9
130.07779	0.7
131.04942	4.6
131.08571	10.7
133.06503	4.9
133.10138	7.1
135.04445	1.1
135.08034	3.5
135.11702	2.0
137.05943	1.1
137.09608	1.9
141.07022	2.7
142.64542	0.6
143.08571	6.2
144.05750	1.5
145.06493	21.6
145.10149	5.0
147.04414	3.0
147.08058	5.4
147.11667	4.0
149.05995	0.7
149.09622	2.5
149.13315	0.7
151.07581	1.4
151.11110	3.0
153.09103	2.9
153.12767	1.0
155.08574	4.5
157.06506	3.9
157.10150	4.9
158.07233	0.7
159.08087	5.7
159.11746	3.2
161.05997	3.3
161.09656	3.4
163.11240	2.3
165.05624	1.0
165.07039	0.9
165.09106	5.8
165.12737	1.0
167.08630	2.2
169.06511	1.9
169.10184	2.2
171.08066	6.6
171.10335	0.8
171.11639	2.9
173.09666	2.9
173.11794	0.8
173.13200	1.2
175.04051	0.8
175.07509	0.9
175.11227	2.4
177.12766	1.1
180.09303	0.8
181.10181	2.3
183.08133	1.2
183.11734	1.5
185.09644	2.6
185.13225	1.7
187.11201	1.9
187.14888	1.4
189.09369	1.2
189.11238	4.1
189.12781	1.5
193.05005	2.0
193.10396	1.4
193.12234	8.8
195.08119	1.4
195.11749	3.1
195.47171	0.8
197.04498	2.5
197.09669	1.9
197.13356	2.8
199.11197	2.7
199.14861	1.2
203.14421	0.8
205.12257	1.3
207.11829	1.0
207.13855	1.2
209.09715	0.9
209.13336	1.4
211.06021	16.1
211.11168	1.8
211.13087	0.7
213.12791	2.9
215.12529	0.7
215.14293	3.0
217.12318	1.0
219.11705	0.7
221.13286	0.6
223.11212	1.6
223.13179	1.3
225.12802	1.8
227.14378	1.7
231.13858	1.2
233.15344	3.6
235.11179	0.9
237.12692	3.4
239.14316	1.3
241.12160	1.0
243.13918	0.9
245.15196	1.0
249.14883	1.6
251.14426	0.8
255.13828	4.0
257.15558	1.0
265.10757	2.7
267.12332	0.8
269.15463	0.7
271.12671	0.6
271.17014	1.8
273.14890	13.3
275.16446	0.9
281.15540	1.3
283.16971	0.6
287.16415	1.7
289.18015	1.0
291.15952	1.0
295.17160	0.8
299.16467	1.4
311.16367	1.2
321.22134	1.4
325.18246	0.9
331.20581	0.7
339.23260	4.9
347.42044	0.6
349.17462	0.8
349.21674	12.7
349.25760	1.0
357.24332	3.8
367.22702	37.4
368.23273	0.9
385.23792	33.8
387.22855	0.7
395.25974	0.8
403.24777	6.7
405.24258	2.8
423.25168	2.1
441.26404	8.8
459.27451	100.0
460.27765	1.3
468.43616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
53.35543	1.2
55.01879	7.9
55.05519	43.4
57.03437	3.5
59.05002	2.2
65.03946	2.4
67.05515	34.5
69.03443	4.7
69.07074	8.6
71.05033	2.3
79.05505	38.7
79.05971	1.9
81.03416	3.3
81.07068	28.9
83.04987	7.0
83.08633	20.3
85.02948	1.0
85.06559	2.4
91.05495	25.3
93.07047	16.9
95.04971	6.4
95.08617	8.9
97.06534	2.5
97.10182	33.2
100.72793	0.9
103.05466	5.9
105.07046	27.3
107.04987	6.4
107.08605	20.0
109.06532	3.8
109.10178	8.6
111.08095	3.0
115.05490	4.0
117.07037	21.9
119.04971	1.1
119.08597	11.1
121.06528	4.2
121.10152	4.1
123.08068	3.3
125.09644	26.2
128.06252	4.0
129.07001	14.1
131.04953	3.0
131.08571	19.0
133.06540	6.7
133.10144	6.5
135.04500	1.2
135.08060	6.4
135.11752	1.1
137.09642	1.3
141.07034	5.7
143.08580	8.9
143.10602	1.3
145.06508	10.8
145.10146	8.9
147.08063	5.2
147.11691	2.7
149.09644	3.3
153.07065	1.9
153.09142	6.1
154.07832	1.2
155.08586	9.0
157.06541	4.8
157.10123	5.1
159.08081	4.5
159.11739	3.4
161.05931	1.1
161.09671	1.5
161.13326	1.3
163.11180	1.0
167.08604	3.1
169.10172	4.4
171.08089	3.4
171.10185	3.1
171.11714	4.6
173.09694	3.3
173.13293	2.3
180.09431	1.4
181.10170	3.3
183.11646	2.3
185.09752	1.9
185.13298	2.5
187.11211	1.3
187.14850	7.5
189.11261	20.8
189.12793	1.8
193.10283	1.3
193.12253	2.7
195.11748	3.4
197.09547	1.3
197.13292	7.2
199.11258	4.4
209.13359	2.5
213.12808	4.2
215.14345	22.7
217.12285	1.9
223.11282	1.5
225.12753	2.5
227.12683	7.9
233.15392	7.6
237.12769	2.2
239.14500	1.3
241.12299	2.7
257.15308	1.4
259.13116	1.1
269.15347	2.4
271.17004	2.9
273.14911	2.5
287.16510	1.7
289.17969	1.7
303.21207	1.2
319.31607	1.1
321.22012	2.4
331.20438	1.6
339.23145	5.7
349.21643	9.4
357.24231	3.1
360.53683	1.1
367.22687	21.5
385.23767	19.5
403.25000	6.7
423.25165	2.4
431.27771	1.4
441.26428	16.9
459.27451	100.0
468.67743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
53.03941	3.2
55.01876	6.3
55.02104	1.4
55.05513	46.9
57.03424	4.9
57.33411	1.0
59.05002	1.5
59.56425	1.0
65.03945	3.4
67.05508	34.4
69.03423	4.6
69.06796	1.0
69.07075	11.9
71.05009	1.9
71.52753	1.6
79.05492	37.5
81.03442	2.2
81.06587	1.9
81.07060	32.9
83.04971	5.0
83.08618	23.6
85.06539	1.2
91.05484	34.3
93.03407	1.2
93.07048	18.1
94.60074	1.1
95.04976	4.7
95.08592	10.1
97.06524	2.9
97.10170	38.5
103.05468	17.8
105.03394	2.1
105.06400	1.9
105.07038	25.7
107.04952	4.0
107.08607	17.7
109.06524	2.3
109.10164	9.6
111.08093	1.9
115.05453	8.3
116.06224	1.5
117.07022	42.7
119.08577	17.9
121.06525	3.2
121.10152	4.1
123.08057	3.5
125.09631	37.8
128.06230	4.7
129.07010	25.3
131.04933	4.7
131.08563	33.3
133.06512	6.3
133.10139	6.3
135.08064	9.9
141.06987	8.4
142.07843	1.5
143.04886	3.0
143.08542	12.0
143.10590	1.6
145.06487	12.5
145.10129	13.2
147.08018	3.3
147.11710	1.5
149.09630	5.6
150.43719	1.1
153.07011	2.0
153.09132	3.5
154.07788	1.9
155.08548	14.5
157.06526	4.9
157.10120	4.5
159.08073	5.0
159.11722	3.4
161.09569	1.7
163.03876	1.5
165.07147	1.0
166.07834	1.3
167.08557	4.6
168.09354	1.3
169.10117	9.3
171.08031	4.2
171.10211	2.3
171.11684	6.9
173.09628	1.6
173.13271	2.9
179.08583	2.4
181.10139	4.1
183.11694	2.7
185.13272	2.5
187.14801	14.2
189.11249	19.2
195.11708	4.3
197.09688	1.5
197.13249	16.0
199.11142	1.7
207.11662	1.9
209.13257	2.9
211.14970	1.6
213.12773	4.4
215.14319	78.1
219.11803	1.3
221.13274	1.5
223.11172	2.5
223.14818	1.3
225.12801	1.7
227.12740	34.1
233.15384	2.5
235.14848	2.0
237.12704	2.3
239.14407	1.6
241.12263	3.9
241.15866	1.7
245.13847	4.5
247.86346	1.3
251.14311	1.4
253.15932	1.5
255.13692	1.9
259.13431	1.6
269.15491	1.9
271.16809	6.1
321.22150	2.7
331.20663	2.0
339.23193	3.3
349.21591	13.0
356.27527	1.0
357.24271	2.2
360.07404	1.2
367.22687	31.4
385.23730	24.0
403.24973	4.9
405.24469	1.3
423.25345	2.8
428.59293	1.1
441.26376	76.9
459.27417	100.0
460.27820	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	459.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
56.05030	2.2
57.03434	0.5
57.05815	0.4
57.07076	1.1
61.02918	0.4
63.47812	0.2
63.63317	0.2
67.05507	0.8
68.05019	0.3
68.48787	0.3
69.03440	1.2
69.07078	7.8
70.06601	14.5
71.52960	0.3
72.08157	0.8
74.06092	7.4
79.05511	0.6
79.70930	0.2
81.03421	1.0
81.07066	0.7
83.04974	0.4
84.04542	0.5
84.08151	1.5
85.02906	2.3
86.09715	100.0
87.08112	4.6
91.05479	1.1
93.07059	0.3
95.04937	0.3
95.08595	0.4
97.02920	0.9
97.06564	0.2
97.07692	0.6
97.10170	0.3
98.06057	1.1
98.97581	0.3
105.07045	0.3
107.04974	0.3
107.08617	0.4
109.02940	0.4
109.06527	0.3
111.08099	0.3
113.07141	9.0
114.09187	0.4
116.07127	1.0
117.07012	0.3
117.96291	0.3
119.04987	0.6
119.08609	0.4
121.10168	0.4
123.04440	0.2
126.05534	8.0
127.03926	0.8
129.07028	0.2
129.10229	0.3
132.10222	1.0
133.06470	0.3
133.10176	0.2
135.04419	0.5
137.06020	0.5
144.06599	0.9
145.04987	0.5
145.06474	0.3
145.10091	0.4
147.04436	2.4
147.08096	0.2
151.03896	0.4
153.06599	3.5
157.13376	8.7
157.14662	0.4
163.03958	1.1
165.05615	0.3
169.05107	0.4
169.09789	1.2
175.03992	0.3
176.37239	0.2
179.03432	0.4
180.37643	0.2
181.04892	0.3
181.83998	0.2
185.04446	0.3
185.12881	3.2
187.02484	0.3
193.04938	1.3
197.04480	1.5
197.09242	16.1
205.05000	0.4
205.36290	0.2
211.06030	12.0
215.10286	7.9
217.05060	0.2
221.04593	0.3
223.06055	0.5
231.13921	0.2
237.07706	0.3
238.15579	0.3
243.06712	0.3
245.18636	5.9
249.41798	0.2
249.67233	0.2
261.07681	0.7
265.10785	2.2
266.11279	0.9
267.06146	0.3
267.12280	0.6
279.08633	6.3
280.08978	0.3
282.18298	0.9
297.16934	0.8
297.21814	0.3
300.19208	12.2
307.12088	0.3
316.22580	0.3
328.18695	7.4
355.04938	0.2
373.11142	0.3
379.25751	0.3
397.24576	0.7
409.15033	0.4
459.27216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.7
55.01871	5.6
56.05011	1.0
57.03448	2.5
61.02917	2.9
68.05030	3.9
69.03432	10.5
69.52280	2.7
70.06582	1.1
71.01332	1.2
71.04984	1.0
73.02918	6.1
74.02424	1.8
81.03402	3.9
85.02907	19.8
87.04440	1.5
89.06139	0.5
91.03924	1.2
92.10388	0.6
93.03365	1.7
95.04926	1.6
97.02887	6.9
99.04424	1.9
105.03372	0.6
109.02893	3.2
110.06007	1.8
113.02406	0.7
114.05530	12.2
121.02845	2.8
123.08056	0.9
127.03915	4.2
135.04442	0.6
139.03909	0.8
142.28600	0.5
145.04951	1.5
147.04410	1.3
151.03972	0.5
159.04437	0.9
161.05957	0.5
163.03833	0.8
165.05417	0.8
165.09088	1.4
167.03340	1.3
169.01283	2.6
169.05020	0.6
173.02464	0.6
175.03828	1.3
177.05467	1.5
179.03326	1.2
181.04982	0.6
185.04396	1.2
187.02451	1.0
189.05470	2.0
191.03398	1.4
192.06670	0.8
193.04959	4.3
195.06480	1.8
197.04457	0.9
199.03937	1.4
201.05298	0.9
203.03384	1.6
207.06525	2.8
209.04440	15.7
210.07623	2.8
211.06024	1.0
217.04948	3.8
219.06540	2.8
221.04456	9.7
223.06020	1.7
225.07539	3.7
227.05667	0.8
235.06023	24.9
237.05611	0.7
237.07632	6.5
239.05515	1.2
245.04478	1.2
252.08684	10.6
254.10414	1.1
256.08105	2.2
263.05603	2.9
280.07986	0.7
281.06546	2.2
298.09210	100.0
299.09595	1.0
460.14505	64.3
461.15118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05509	1.4
57.03440	2.0
58.06605	0.7
58.26181	0.6
61.02927	3.2
67.05514	1.3
67.91337	0.8
69.03429	6.2
69.07075	1.1
70.06596	100.0
71.04978	1.2
72.08164	2.2
79.05501	1.1
81.03427	4.1
81.07079	1.8
84.04495	5.3
85.02905	19.1
86.09714	8.5
87.10042	1.2
91.03967	1.6
91.05526	0.9
93.07038	1.1
95.08646	0.9
97.02899	6.6
99.04454	1.2
104.67461	0.7
107.04976	1.0
109.02906	2.2
114.05511	1.3
114.09215	1.0
119.08612	0.8
120.08161	0.9
121.06551	0.8
125.05991	2.8
126.05549	1.3
127.03960	4.0
129.10306	0.6
130.05069	0.8
138.05533	4.3
139.07516	0.9
142.05049	1.1
144.06563	1.2
145.04955	3.9
147.04434	1.3
153.05493	1.4
157.13454	0.9
159.04413	1.6
162.07617	0.8
163.03946	2.3
168.06580	1.9
177.05495	4.1
179.03311	0.8
179.07027	0.7
181.04909	5.8
184.09756	1.7
185.12868	1.3
187.03920	2.9
193.04948	0.7
193.38432	0.7
195.06627	1.4
197.04504	2.2
204.08566	0.9
205.04959	12.2
207.06506	1.4
211.06046	3.6
216.26031	0.7
221.04523	1.0
223.06029	53.4
225.07559	3.9
249.07747	2.1
259.11087	1.7
267.08643	11.8
280.11887	4.6
373.11383	1.0
385.11499	3.6
429.14066	1.2
442.17120	95.3
443.17407	1.6
459.35168	2.4
460.18152	8.3
460.29697	0.7
460.35464	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	460.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05523	0.8
57.07085	4.1
59.05046	0.5
67.05489	1.0
67.09454	0.5
69.07071	1.1
71.08633	2.4
71.34067	1.0
72.78063	0.4
79.57565	0.4
81.07051	1.1
85.10180	1.0
89.04826	0.5
91.05494	5.2
93.07059	7.5
95.04984	1.5
95.08621	1.1
103.05484	5.3
104.81612	0.4
105.04541	0.7
109.10165	0.7
112.21410	0.5
119.08586	1.6
121.06508	100.0
138.09146	25.4
138.10225	1.0
156.51389	0.5
173.44855	0.5
181.38235	0.5
181.67291	0.4
203.73155	0.5
218.83321	0.5
288.07678	0.5
460.41507	36.1
461.41666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05506	1.0
56.05028	0.8
57.03446	0.4
58.99583	0.6
62.06068	0.3
65.03938	1.5
67.05505	6.8
69.07061	0.8
69.39279	1.6
69.39699	1.1
70.06600	0.4
72.08157	8.9
74.98264	0.4
76.02224	3.3
76.04013	1.7
79.05531	0.4
80.05029	1.3
81.07069	1.1
82.06574	0.7
84.04507	10.4
84.08155	0.4
85.02908	0.6
85.04020	0.5
86.09712	4.6
91.05502	1.3
93.05772	0.7
94.06578	0.7
95.04976	10.5
97.85523	0.4
98.09676	0.4
99.05617	0.4
100.07607	0.4
102.05553	2.9
104.07135	1.4
107.07326	0.6
108.04460	1.9
108.08118	6.2
109.06561	0.4
110.06049	2.1
116.01682	1.3
124.07632	0.4
125.00549	0.4
126.03769	0.6
126.09158	0.6
129.06578	0.6
129.10237	0.4
130.05029	2.8
135.06792	0.4
136.07584	77.6
139.03944	0.6
140.01683	0.4
140.05295	2.2
142.03229	0.8
144.01141	0.5
145.06085	1.2
149.03865	0.4
152.07042	1.3
154.08635	100.0
156.10205	1.1
162.02202	2.1
162.07629	0.4
162.86899	0.4
167.08176	0.7
168.04826	2.2
177.03299	2.5
179.04875	6.0
185.03844	2.0
186.05922	2.2
188.07458	0.4
195.07617	0.8
201.08656	0.4
201.12370	0.6
203.13884	1.6
212.07249	0.5
213.08611	0.5
215.10178	0.7
229.06348	0.4
229.11902	0.5
231.04367	7.6
231.09737	0.8
233.05884	2.3
241.08151	0.7
243.07994	2.2
243.13493	0.4
245.05829	0.4
247.12791	0.5
259.09174	1.9
291.06345	0.6
295.11087	1.1
306.07516	1.3
308.09122	10.9
312.15503	0.4
314.11371	0.4
332.12723	8.2
358.16040	0.5
386.13730	0.5
398.13885	1.3
443.15878	0.7
461.16925	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03943	4.2
53.23973	1.0
55.01879	5.6
55.05272	1.6
55.05516	22.6
57.03458	5.9
58.66642	1.0
65.03936	1.9
65.17506	1.1
67.05506	37.9
69.03416	2.4
69.07076	11.3
70.77999	2.7
71.04987	2.8
79.05499	30.1
81.03428	11.2
81.07066	40.8
83.04971	4.6
83.08623	12.1
84.51001	1.0
85.02881	1.1
85.06535	2.4
91.05487	32.2
93.07053	28.1
95.04982	23.7
95.08619	17.1
97.06537	4.0
97.10164	11.7
103.05464	1.8
105.07038	25.7
107.04965	12.6
107.08605	16.5
109.06517	4.9
109.10155	6.9
111.08074	2.9
115.05480	3.0
117.07031	14.5
119.04966	2.2
119.08588	12.8
121.06500	15.5
121.10142	8.1
123.08102	6.1
123.11749	1.1
125.09640	9.6
128.06252	3.2
129.07021	14.4
131.04926	3.9
131.08580	22.8
133.06509	8.0
133.10146	8.7
135.04372	1.8
135.08101	6.4
135.11729	3.4
141.07056	5.2
142.07841	1.6
143.08562	10.4
145.06502	16.1
145.10117	7.3
146.62848	1.0
147.08043	8.1
147.11673	4.2
149.09616	5.0
149.13284	3.9
149.27742	1.0
155.08586	6.9
157.06558	1.3
157.10149	8.1
157.46968	1.3
159.08072	4.8
159.11708	6.7
161.09604	2.9
161.13310	1.0
163.11197	3.6
167.08618	2.7
169.10138	3.4
171.08064	3.6
171.11717	4.1
173.09662	2.6
173.13222	1.8
175.11218	3.0
177.12787	4.5
181.10136	2.9
183.08032	1.4
183.11693	3.2
185.09616	2.5
185.13321	2.6
187.11253	1.2
187.14839	1.4
189.09294	1.2
189.11221	4.4
189.12750	1.1
193.12224	3.0
195.11797	2.6
197.13319	3.2
199.11212	1.8
199.14865	3.9
201.12854	3.3
203.14336	1.8
205.12285	2.6
207.11739	1.2
207.13940	1.5
209.13344	1.7
213.12767	2.4
217.15961	7.3
219.13861	3.2
221.13387	1.7
225.12839	1.3
227.12535	2.1
231.13826	2.6
239.14381	1.3
243.13892	1.4
245.15657	1.3
249.14836	2.4
251.16528	1.7
257.15445	4.3
259.16708	1.6
261.14932	1.4
267.16052	1.3
271.16916	1.3
273.18616	2.0
275.16330	2.7
324.50064	1.1
333.22141	2.2
341.24847	2.4
351.23181	12.7
369.24265	29.0
387.25354	10.7
405.26334	3.4
407.25934	1.9
417.26437	2.0
425.26935	2.9
441.98117	1.3
443.27911	35.7
444.27957	1.6
461.29025	100.0
462.29211	2.4
470.61771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03934	4.2
55.01863	4.1
55.05512	17.0
57.03441	4.5
57.20123	0.9
57.37947	0.8
61.63271	0.9
65.03934	1.5
66.30930	1.0
67.05508	35.6
69.03432	2.9
69.07069	10.6
70.69325	1.5
70.69643	1.4
71.04984	2.5
79.05499	24.2
79.05964	1.2
81.03426	32.1
81.06590	1.7
81.07059	34.8
83.00385	0.8
83.04985	4.9
83.08619	13.2
85.06541	2.6
91.05486	25.5
93.07046	24.1
95.04977	21.2
95.08617	12.7
97.06531	4.1
97.10177	6.9
99.08092	1.6
103.05485	1.0
105.04554	1.0
105.07043	18.4
107.04959	8.2
107.08606	17.3
109.06524	4.2
109.10162	5.1
111.08065	4.4
114.22594	0.9
115.05453	2.1
117.07036	9.6
118.73109	0.8
119.04966	2.0
119.08592	12.8
121.06490	7.4
121.10139	8.0
123.08070	3.4
123.11710	0.9
125.09634	6.5
128.06207	2.2
129.07024	12.0
131.04955	1.6
131.08577	13.8
133.06497	5.6
133.10124	7.0
135.08102	4.4
135.11681	4.3
137.09570	1.5
141.07007	3.0
142.07776	1.1
143.08571	7.3
145.06435	6.9
145.10123	4.7
145.99052	1.1
147.08064	5.5
147.11716	3.6
149.09644	4.4
149.13261	10.3
151.11201	1.0
153.07037	1.0
153.09123	1.6
155.08560	3.7
157.06526	1.7
157.10176	8.1
159.08086	4.2
159.11655	5.8
161.09576	2.4
161.13191	1.1
163.11237	2.2
167.08655	1.4
169.10155	3.7
171.08080	1.5
171.11729	1.5
173.09639	1.9
173.13245	1.1
175.11180	4.3
177.12755	4.0
181.10252	1.1
183.08034	1.1
183.11726	2.3
185.09727	1.0
185.13184	1.4
187.14864	1.2
189.09180	1.3
189.11259	3.6
189.16357	1.3
193.12254	12.8
195.11790	1.7
195.13776	2.2
197.13278	2.3
199.14781	2.2
201.12759	1.5
207.11780	1.2
209.13370	1.2
211.14880	1.2
213.12823	1.7
215.14267	1.8
217.15955	4.8
221.13359	1.1
227.12651	1.8
231.13779	1.8
233.15421	1.3
239.14395	1.1
241.85161	0.9
243.13806	1.2
249.14857	3.0
257.15402	2.2
261.14740	1.1
265.10873	1.0
267.15979	1.4
275.16428	1.4
323.23605	1.5
341.24692	1.5
343.22913	2.2
351.23206	7.0
361.23788	2.0
369.24268	17.3
387.25317	9.7
405.26041	1.5
417.26273	6.0
425.26849	1.5
443.27866	20.8
461.29010	100.0
462.29352	1.5
485.79895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
51.02375	3.8
51.27977	1.8
53.03934	6.9
55.01856	6.4
55.05512	26.0
56.05902	1.6
57.03441	9.3
57.38096	1.7
65.03928	4.7
67.05508	66.3
69.03424	4.2
69.07067	23.0
71.05003	4.2
79.05496	56.6
81.03414	9.2
81.06590	3.3
81.07059	55.1
83.04989	5.8
83.08619	21.8
85.06528	5.4
91.05482	68.4
93.07042	51.2
95.04972	16.4
95.08616	26.6
97.06521	6.7
97.10158	13.5
99.08095	2.3
103.05486	4.7
105.07037	49.5
107.04945	11.4
107.08615	21.3
109.06516	6.9
109.10161	15.9
111.08087	5.5
115.05450	5.1
117.06226	3.1
117.07025	41.4
119.04979	2.1
119.08576	27.0
121.06515	15.0
121.10139	12.0
123.08045	5.0
125.09629	7.2
128.06206	11.5
129.07010	37.1
131.04926	3.6
131.08571	51.1
133.06506	9.4
133.10135	19.5
135.08099	7.8
135.11723	5.9
137.09631	5.6
139.11179	2.2
141.06982	17.5
142.07791	3.7
143.08560	28.0
145.06479	13.4
145.10139	21.6
147.08018	10.4
147.11714	5.3
149.09604	6.7
149.13266	3.9
151.11156	2.3
153.06975	2.1
154.07835	3.2
155.08560	26.8
157.06572	3.4
157.10129	19.9
159.08061	8.7
159.11687	14.2
161.09637	4.3
161.13289	2.5
163.11229	5.0
167.08548	8.8
169.10149	16.2
171.08022	4.5
171.11703	11.6
173.09695	4.0
173.13281	5.1
175.11220	3.2
177.12740	4.4
179.08539	7.3
181.10130	11.2
182.11029	2.3
183.11652	9.3
185.09653	5.3
185.13242	8.2
187.11267	3.0
189.11186	4.2
193.10114	1.9
193.12263	4.0
194.10966	2.0
195.11708	8.0
195.13556	2.3
197.09605	2.7
197.13281	7.9
199.11160	2.8
199.14836	5.5
201.12778	3.3
203.14299	2.3
207.11708	4.1
207.13690	2.2
209.13266	8.0
211.14853	3.9
213.12749	4.9
213.16399	3.1
215.14369	6.4
217.15887	4.9
221.13232	8.7
223.14864	7.2
225.12808	4.3
225.16460	5.1
227.14490	3.1
231.17387	2.6
233.15431	2.3
235.14790	5.3
237.16368	2.6
239.14326	5.3
243.13756	2.0
253.15906	2.6
255.17484	2.0
257.15427	5.9
271.16931	3.7
275.16425	2.6
302.03958	2.2
315.21115	2.2
323.23749	6.4
333.22107	15.2
341.24637	9.7
351.23184	40.2
369.24210	46.1
387.25323	22.4
405.26266	2.3
413.98355	1.9
415.28983	2.0
425.26834	7.2
433.29633	2.2
443.27954	73.8
444.27908	2.8
461.28995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
51.71975	0.9
53.03951	5.4
55.01875	6.3
55.05273	1.6
55.05516	21.9
56.58434	1.1
57.03441	7.6
57.07064	2.0
65.03929	3.3
66.93584	1.1
67.05509	53.8
69.03426	2.6
69.07071	16.9
71.04979	3.6
71.16898	2.1
72.94170	1.0
76.66763	1.0
79.05496	45.5
81.03430	7.0
81.07065	52.3
83.04984	3.9
83.08630	12.8
85.06530	2.0
91.05486	57.8
93.07051	46.5
95.04980	13.1
95.08608	27.1
97.06524	4.0
97.10182	9.6
99.08098	1.8
103.05495	3.0
105.03436	1.1
105.04509	2.4
105.07040	46.5
107.04961	12.1
107.08602	20.4
109.06544	7.0
109.10172	11.9
111.08083	4.9
115.05470	5.4
116.06274	1.9
117.06223	2.2
117.07024	34.4
119.04930	2.9
119.08588	24.6
121.06509	10.9
121.10163	11.5
123.08082	4.6
123.11691	1.2
125.09655	5.2
128.06218	9.8
129.07014	36.9
130.07788	2.1
131.04929	4.2
131.08582	45.2
133.06516	9.2
133.10141	16.9
135.04376	1.8
135.08058	6.6
135.11702	4.6
137.09604	4.1
141.05951	1.5
141.07018	12.5
142.07784	4.6
143.08566	32.5
144.09366	1.4
145.06487	13.0
145.10138	22.9
147.08061	11.9
147.11662	6.5
149.09628	7.4
149.13255	2.7
151.11154	1.8
153.06964	2.9
154.07796	2.2
155.08566	21.1
156.09341	2.4
157.06531	3.8
157.10138	19.0
159.08092	5.8
159.11725	9.5
161.09612	4.8
161.13252	3.1
163.11179	4.5
165.07037	2.2
166.07790	1.3
167.08603	8.7
168.09355	1.3
169.10136	15.2
170.10902	1.4
171.08049	4.1
171.10242	1.7
171.11646	8.9
173.09637	2.9
173.13258	4.1
175.11198	4.2
177.12776	3.5
179.08588	4.8
180.09453	1.3
181.06366	1.3
181.10132	8.2
182.11005	1.0
183.08072	2.1
183.11703	10.8
185.09679	3.8
185.13260	8.9
187.11224	3.0
187.14787	2.8
187.67065	1.2
189.11209	1.6
189.12741	2.8
193.10185	4.3
193.12282	2.4
194.11029	1.4
195.11726	6.5
197.09547	1.3
197.13217	8.5
199.11162	3.1
199.13126	1.1
199.14865	5.6
201.12732	4.2
203.14343	2.7
205.12291	1.5
207.11743	4.0
209.13359	5.7
211.11134	3.0
211.14848	4.1
213.12802	5.6
213.16394	2.8
215.14351	3.1
217.15906	5.3
219.13890	1.3
221.13251	4.4
221.15164	1.5
223.14894	5.7
225.12779	3.1
225.16388	2.6
227.14436	2.6
229.15840	2.0
231.13834	2.5
231.17419	1.7
235.14896	4.1
237.16415	2.4
239.14348	4.1
241.15948	2.3
243.13875	2.2
245.15486	2.4
247.14787	1.6
247.17059	2.5
251.14342	1.5
253.15909	4.5
257.15323	5.6
259.16989	2.9
271.16898	4.7
275.16537	1.9
275.19803	1.2
285.18521	2.5
289.18039	1.2
305.22678	2.0
315.21161	1.6
323.23727	8.6
333.22186	9.3
341.24771	12.6
351.23218	38.8
359.25769	1.4
369.24265	61.7
387.25311	35.9
405.26682	1.3
407.25705	1.6
415.28482	1.8
417.26538	2.2
425.26855	4.9
433.29849	1.4
443.27948	77.3
461.28992	100.0
462.29404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01869	1.4
57.03430	1.3
61.02932	4.7
67.01857	0.9
69.03433	8.1
70.06578	1.0
71.04979	1.0
72.08158	0.5
73.02899	1.2
81.03420	2.9
83.01313	1.3
84.04507	0.5
84.08149	0.6
85.02911	26.4
86.06060	1.7
86.09701	1.4
87.04476	5.1
90.01807	0.5
91.03959	1.7
94.07487	0.5
95.04965	1.6
97.02899	8.6
99.04453	2.0
104.06435	0.7
104.07110	10.5
109.02876	3.3
120.04520	0.6
120.08142	0.5
123.04443	2.5
127.03934	5.6
132.04492	0.7
133.02791	0.7
133.06496	0.8
141.57858	0.5
142.11928	0.5
145.04967	7.5
147.04399	0.8
151.03908	5.6
169.04988	9.9
179.03400	14.7
197.04466	100.0
198.04820	0.8
207.86133	0.4
247.05968	0.5
259.11841	2.6
284.15775	0.6
359.09729	18.3
420.18866	0.6
444.12277	1.7
445.91037	0.5
452.94925	0.5
462.20776	1.9
462.26874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04555	1.7
69.97831	6.8
70.06602	2.4
79.75278	1.7
86.09699	2.8
98.20771	2.3
118.06559	17.5
120.04447	3.7
130.06525	1.6
132.08072	5.5
139.03900	4.8
142.06509	2.7
144.08112	9.9
146.06017	59.0
151.06126	1.8
159.09186	4.5
170.05980	4.3
188.07069	100.0
205.09750	40.0
205.11670	2.5
245.10408	6.6
316.10193	2.2
359.02637	2.2
462.17102	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	462.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01870	0.8
55.05512	0.5
57.03426	1.4
61.02908	1.7
65.59883	0.5
67.05507	0.7
69.03436	6.4
70.06586	1.8
70.48438	1.3
70.58019	0.4
71.05007	0.7
73.02925	0.6
75.81685	0.4
79.05484	0.7
81.03430	2.6
81.07046	1.9
83.01324	0.4
84.04496	1.8
84.08148	1.0
85.02914	14.9
86.09709	1.8
86.49139	0.5
87.04483	0.6
87.38884	0.4
91.03955	1.6
91.05472	1.7
93.07060	0.8
95.04961	0.9
95.08627	0.8
96.04517	0.5
97.02910	5.9
99.04435	1.0
105.07070	0.5
107.04932	0.8
108.14880	0.4
109.02874	1.3
111.84579	0.4
119.04941	1.3
121.06461	1.1
123.04433	0.7
126.05544	0.6
127.03907	3.3
137.05934	1.0
138.05530	1.5
145.04944	2.7
147.04436	5.9
151.03888	0.9
155.03377	0.5
158.06096	0.5
163.03868	0.9
165.05482	2.3
169.04984	1.9
175.03909	2.5
179.03439	0.7
181.04964	1.0
183.06526	1.2
193.04984	16.6
197.04453	4.0
211.06030	100.0
212.06383	0.9
223.06050	0.5
227.05528	0.7
228.05882	0.4
265.10745	10.7
269.67371	0.5
283.11920	1.2
287.05408	0.7
300.11710	0.5
300.54446	0.4
373.06549	0.9
373.11337	17.3
393.31171	0.5
426.18359	0.8
426.26529	0.6
427.15829	1.6
445.17242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83741	0.8
52.38134	0.6
53.03928	0.8
55.05507	0.9
57.03418	1.2
61.02922	2.8
65.03945	0.6
69.03442	5.5
70.06596	1.1
70.96751	1.5
72.08167	0.8
73.02917	0.7
79.05481	0.8
80.05024	0.7
81.03407	2.6
81.07047	1.4
84.04510	3.7
84.08151	0.9
85.02443	0.9
85.02916	13.7
86.09705	3.0
87.04433	1.0
91.03946	1.1
91.05473	1.2
95.04946	1.2
97.02922	4.7
99.04476	0.9
103.79999	0.6
105.07077	0.8
109.02860	1.2
109.06516	1.6
109.10184	0.8
119.04944	0.8
121.06513	2.8
122.72425	0.7
126.05563	3.2
126.06362	0.7
127.03932	2.6
129.10278	0.7
137.06075	0.7
138.05530	4.3
144.06569	0.7
145.04971	2.3
147.04440	5.8
151.03963	0.7
152.23296	0.7
163.03940	4.8
165.05521	1.5
166.03218	2.2
167.01651	0.8
168.06522	1.2
169.04919	1.0
172.32486	0.6
175.03908	2.5
181.04924	0.8
186.07619	1.8
193.04990	13.4
197.04517	3.4
211.06030	100.0
223.05666	0.9
265.10730	11.3
265.13748	0.8
265.14722	0.6
283.07440	2.8
283.11758	1.7
300.12311	3.0
301.07080	3.3
315.10031	2.3
373.11264	17.7
373.15848	1.4
427.15836	1.3
465.39178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
54.18520	0.1
55.01863	0.3
57.03436	1.0
67.01867	0.2
68.99794	0.5
69.03407	0.3
69.96737	0.3
71.01027	0.1
71.01362	1.7
73.02920	3.1
75.04462	0.3
79.05488	0.1
83.01347	0.2
85.02906	8.4
87.51925	0.1
95.01330	1.1
96.95068	0.1
97.02896	0.5
99.00816	0.5
101.02360	0.7
103.03930	0.7
103.05490	0.1
105.03367	0.3
107.04946	0.4
109.02870	0.2
111.00822	0.7
113.02370	4.1
117.01833	0.1
121.02869	2.5
121.03862	0.1
127.03945	0.2
131.02492	0.1
131.03415	1.3
133.02850	0.4
137.02356	1.0
141.01813	1.6
141.06992	0.1
145.06502	0.2
147.04437	0.5
153.01831	3.7
157.06512	0.3
159.02896	1.8
161.05986	0.1
165.01830	1.8
169.06468	0.1
171.04472	0.1
183.02896	0.7
185.05931	0.6
199.03845	0.2
203.03288	0.1
203.07053	0.2
205.10751	0.1
213.05461	1.5
227.03647	0.1
231.06425	0.7
241.04956	0.8
245.04459	0.2
258.05298	1.1
259.06058	0.5
269.04431	0.2
286.04724	0.2
287.05496	100.0
288.05872	0.8
299.05487	0.1
329.06506	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	463.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29249	0.2
57.03442	1.3
60.30184	0.2
68.99788	0.6
69.03426	0.6
69.35427	1.5
70.06585	0.2
71.01366	1.8
73.02921	3.4
75.04469	0.3
83.01357	0.3
85.02911	8.4
95.01321	1.0
97.02876	0.4
99.00822	0.3
101.02357	0.5
103.03950	0.7
105.03408	0.3
107.04973	0.5
109.02845	0.4
111.00789	0.7
113.02370	3.8
121.02882	2.9
131.03418	1.9
133.02853	0.5
135.04436	0.3
137.02338	0.8
141.01842	1.7
141.06964	0.3
147.04405	0.7
153.01837	4.0
157.06525	0.4
159.02901	2.0
163.99626	0.2
165.01839	1.7
183.02910	0.7
185.06100	0.6
213.05515	1.1
229.17896	0.2
231.06453	0.3
241.04874	1.3
258.05383	1.3
259.06018	0.5
275.34393	0.3
286.04660	0.2
287.05515	100.0
288.05899	1.2
456.76733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
53.19753	0.1
57.03418	0.3
61.02916	0.1
67.05504	0.7
68.99792	0.1
70.06564	0.2
71.01315	0.1
71.04978	0.2
71.17671	0.1
71.17999	0.1
73.02897	0.2
76.91861	0.1
79.05482	0.5
81.03406	0.3
81.07049	0.9
83.08608	0.1
85.02905	0.6
85.06536	0.1
86.09686	0.2
91.05481	0.6
93.07052	0.5
95.04941	0.2
95.08619	0.2
97.02854	0.3
97.06540	0.1
97.10139	0.2
105.07022	0.3
107.04985	0.2
107.08564	0.2
109.10137	0.2
113.02385	0.2
118.60619	0.1
119.08578	0.2
120.08134	0.2
121.02854	0.2
121.06499	0.1
121.10124	0.2
123.11699	0.1
125.09614	0.1
129.07022	0.2
131.03384	0.2
131.08540	0.1
133.10091	0.2
136.76579	0.1
137.05951	0.1
138.50826	0.1
142.20175	0.1
149.13254	0.1
153.01791	0.2
157.23901	0.1
159.02838	0.2
159.11711	0.2
173.13217	0.1
185.05984	1.7
213.05463	4.3
219.13832	0.2
227.03419	0.3
241.04971	3.2
243.15906	0.4
269.04446	100.0
269.17297	0.7
270.04803	1.3
287.05515	5.5
288.05936	0.1
289.25040	0.1
296.70737	0.1
301.07071	17.5
302.07462	0.2
313.16531	0.2
427.87833	0.1
463.12451	0.3
463.26877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1447
Annotation	saccharumoside D
Peak:m/z	Relative Intensity
55.01851	2.2
57.03436	10.2
59.05008	2.1
67.01868	2.4
69.03094	2.1
69.03439	33.7
70.06596	2.2
70.31747	7.1
84.04512	3.3
85.02914	31.6
86.09708	3.9
86.32134	1.8
87.04472	21.5
93.55938	2.1
97.02900	25.8
99.04456	2.9
105.07080	1.8
109.02914	2.7
115.03181	2.4
115.03945	33.8
123.04434	11.3
127.03924	6.3
133.04979	30.8
139.03880	8.6
145.05028	4.3
147.04405	6.2
151.03915	19.0
155.06969	3.0
163.03864	3.2
165.05528	11.9
169.04977	100.0
175.03946	4.8
176.73468	1.8
177.05440	3.0
181.04938	18.5
189.05544	2.6
193.04977	33.4
205.04961	6.8
207.02795	2.4
207.06503	6.5
211.06026	31.5
217.04974	3.4
219.06570	2.3
229.04938	5.3
235.06004	16.2
247.06052	19.2
259.06091	9.8
265.06970	10.9
277.07047	8.0
287.05533	2.7
295.08118	5.9
301.06766	4.5
301.09595	2.9
313.09204	7.5
317.10159	7.4
331.10178	4.7
463.17630	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	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03960	3.8
55.01865	3.2
55.05269	1.0
55.05517	15.7
57.03448	5.0
57.07060	2.2
65.03931	2.4
67.05511	65.5
69.07073	21.1
69.52517	4.6
71.04987	3.0
73.02908	1.5
77.03883	1.0
79.05499	43.6
81.03430	3.1
81.07064	89.2
83.04996	6.5
83.08627	14.1
85.06546	5.5
86.57508	0.6
91.04910	1.0
91.05487	29.7
93.07051	57.8
95.04962	6.4
95.08615	21.9
96.58008	0.7
97.06538	11.6
97.10197	1.4
99.08098	2.6
105.04523	1.9
105.07037	11.7
107.04962	1.6
107.08607	34.5
109.06531	1.9
109.10146	4.3
111.08089	7.6
113.05985	0.9
113.09633	1.2
117.07033	10.4
119.08604	4.6
121.06515	2.8
121.10151	19.1
123.08081	1.4
123.11707	2.8
125.09657	1.4
129.07053	1.9
131.08574	12.7
133.10135	13.0
135.08034	1.4
135.11694	11.1
139.07582	0.7
139.11176	1.2
143.08513	1.1
145.10147	2.5
146.05968	0.7
147.08026	0.8
147.11736	1.9
149.09624	0.7
149.13277	36.9
151.11162	1.2
157.10126	1.4
159.11711	15.0
159.13040	1.0
167.14296	1.5
171.11713	0.9
177.12746	8.3
185.13297	0.8
195.13829	19.4
195.15509	1.4
199.14923	1.1
213.14886	3.1
251.16457	1.0
277.45303	0.9
284.69809	0.7
287.05615	2.4
313.06671	0.7
314.96066	0.6
343.26352	1.0
353.24844	2.7
371.25839	3.7
389.26776	3.6
398.84833	0.8
445.29520	8.7
463.30600	100.0
464.30847	1.8
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	Tupichigenin A
Peak:m/z	Relative Intensity
51.02367	1.8
53.03949	6.6
55.01867	3.7
55.05269	1.8
55.05513	25.5
55.73843	1.3
56.06703	1.3
57.03439	8.8
57.07077	2.6
59.05005	1.4
65.03931	4.8
67.05508	76.1
68.05781	1.5
69.03442	1.4
69.06688	1.5
69.07071	26.8
71.04987	5.5
79.05496	58.4
81.03418	2.9
81.07059	78.0
83.04978	6.0
83.08619	12.3
85.06541	4.7
91.05483	71.2
93.07046	61.3
93.07632	2.8
95.04982	8.6
95.08611	42.0
97.06548	6.7
97.10159	4.8
97.82706	1.3
99.08105	2.5
103.05475	3.4
105.03384	1.8
105.04521	2.4
105.07038	64.0
107.04955	5.7
107.07880	2.1
107.08601	33.2
109.06548	10.8
109.10172	14.1
110.10213	1.4
110.20925	1.3
111.04454	1.6
111.08096	3.7
114.06274	1.5
115.05465	5.4
117.07018	34.8
119.08588	37.9
121.06492	7.2
121.10146	18.8
123.08061	4.3
123.11691	3.8
125.09663	1.6
128.06219	2.5
129.07007	23.5
130.07802	2.0
131.08582	56.1
133.06508	5.2
133.10143	30.5
135.08102	6.5
135.11697	8.9
137.09610	3.7
137.72531	1.6
139.11200	2.4
141.06981	7.8
142.07747	2.9
143.08575	19.7
145.06537	2.8
145.10133	26.6
147.08052	6.3
147.11708	8.5
147.12761	1.5
149.09613	4.9
149.13260	16.6
151.11227	1.7
155.08575	13.4
157.10139	15.1
157.82343	1.4
159.08084	3.4
159.11688	16.4
161.09630	4.1
161.13301	5.0
163.11185	2.9
167.08635	3.9
169.10149	9.1
171.11694	12.6
173.13292	6.0
175.11230	1.7
175.14861	2.7
177.12791	4.7
181.10150	5.3
183.11693	8.1
185.09636	2.4
185.13252	7.8
187.11220	1.6
187.13364	1.7
187.14859	3.9
189.12859	2.0
193.10420	1.5
193.12192	1.5
195.11749	5.9
195.13831	5.7
197.13329	8.3
199.11105	2.9
199.14902	3.1
201.12727	2.2
209.13284	3.8
211.14906	6.3
213.12810	2.1
217.15942	2.1
223.14857	3.1
225.16432	2.8
227.14388	2.2
227.76501	1.3
233.15378	3.6
235.14938	1.6
237.16461	2.4
239.18340	1.6
240.43216	1.4
241.15921	2.5
243.17474	1.7
245.15480	1.8
247.17010	4.0
259.16977	3.2
261.18704	2.4
269.18860	1.6
273.18466	3.3
287.05594	3.8
287.20062	1.3
292.68015	1.7
325.25278	4.6
335.23785	8.3
343.26352	15.5
353.24783	37.9
361.27197	2.3
371.25821	52.3
389.26874	50.6
409.27280	1.4
427.28729	6.6
445.29529	100.0
463.30560	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01868	4.6
55.05267	1.8
55.05511	24.5
57.03436	6.8
65.03918	3.4
67.05506	59.7
69.06727	1.8
69.07072	19.1
69.45309	8.1
71.04990	5.7
79.05495	52.1
81.07057	56.7
82.08249	1.4
83.04988	6.2
83.08617	11.5
85.06534	4.1
91.05483	67.5
93.07045	50.5
95.04963	6.7
95.08607	38.1
97.06527	6.5
97.10172	4.7
99.08089	1.4
103.05479	3.9
105.04489	2.0
105.07032	66.3
107.04951	5.4
107.08594	24.3
108.04801	1.5
109.06516	9.1
109.10162	13.8
111.04440	1.6
111.08066	3.1
115.05447	4.7
116.06234	2.1
117.06227	2.5
117.07022	34.0
119.04972	2.3
119.08588	43.1
121.06512	7.5
121.10150	17.2
123.08053	3.7
123.11707	1.9
125.09608	1.7
128.06224	5.0
129.07004	20.5
130.07796	3.2
131.08568	57.5
133.06490	4.6
133.10121	25.7
134.82089	1.3
135.08061	5.8
135.11682	9.0
137.09624	3.7
141.06996	9.4
142.07790	3.1
143.07497	2.4
143.08560	23.7
145.06511	4.7
145.10124	34.1
147.07988	6.4
147.11678	7.7
149.09612	5.9
149.13293	3.5
155.08560	12.4
157.06459	1.7
157.10138	13.7
159.08092	3.2
159.11684	17.1
161.09659	3.7
161.13208	3.9
163.11172	2.2
166.49831	1.2
167.08585	4.6
168.09360	1.3
169.10104	10.0
169.30280	1.4
170.10962	1.5
171.11690	11.5
173.09641	2.3
173.11948	1.1
173.13185	5.9
175.11191	2.6
175.14824	1.4
177.12997	1.2
181.10132	7.4
183.08107	1.2
183.11688	7.1
185.09769	1.5
185.13255	7.1
187.11125	1.2
187.14853	3.8
189.12810	1.4
195.11749	6.2
195.13394	1.3
197.13251	8.7
199.11153	2.3
199.14876	3.2
201.16496	1.9
203.14388	2.4
205.12164	1.4
209.13338	4.7
211.14844	5.2
213.12798	2.6
213.16388	1.7
213.73813	1.2
215.14360	2.3
217.15993	1.8
219.13857	1.7
221.13297	2.2
221.15419	1.4
223.14903	3.1
225.16435	2.3
227.14626	1.8
227.18001	1.7
231.17526	1.7
233.15433	4.1
235.16962	2.3
237.16528	2.1
241.15895	1.9
245.15443	2.3
247.16953	5.2
255.17572	1.9
259.16953	4.6
261.18573	2.7
269.18918	1.9
271.16949	1.3
273.18546	3.5
275.20129	1.6
287.05258	1.2
287.20184	1.3
307.24197	2.6
321.81366	1.3
325.25238	7.7
335.23749	10.1
343.26312	18.6
343.30170	2.2
353.24734	39.6
353.29047	2.4
371.25815	52.5
381.28314	1.4
389.26855	53.2
390.26993	1.7
414.83017	1.2
417.29926	2.6
427.28439	5.4
445.29489	100.0
463.30573	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	3-Dehydroecdysone
Peak:m/z	Relative Intensity
51.02381	1.3
53.03942	4.1
55.01866	3.9
55.05515	21.1
57.03443	7.2
57.07070	1.7
61.55717	1.0
63.22559	0.9
65.03949	3.9
67.05508	52.6
69.07070	18.2
71.04993	3.9
77.03929	1.3
79.05498	41.3
81.03427	1.9
81.07062	53.4
83.04981	3.6
83.08627	10.3
85.06532	3.6
91.05484	51.7
93.07050	42.8
95.04962	6.7
95.08613	34.4
97.06538	5.9
97.10175	2.6
98.21507	2.5
99.08104	1.9
103.05478	2.3
105.04540	1.8
105.07038	48.9
107.04962	5.1
107.08599	21.9
109.06494	4.0
109.10167	9.5
111.08080	3.1
112.62016	0.8
115.05456	3.2
116.06225	1.1
117.07027	25.4
119.08587	32.1
121.06499	6.1
121.10155	15.6
123.08047	3.1
123.11700	2.1
125.09634	1.2
128.06226	3.4
129.07011	18.9
131.08574	42.6
133.06522	3.1
133.10136	20.0
135.08086	3.6
135.11696	7.6
137.09633	1.9
141.06992	6.0
142.07835	1.3
143.08571	15.7
145.06506	3.4
145.10129	24.1
147.08043	5.4
147.11655	5.9
149.09607	6.8
149.13260	8.9
151.11258	1.9
155.08566	7.6
155.10648	0.8
157.06470	1.5
157.10152	11.3
159.08093	2.8
159.11707	12.7
161.09648	2.6
161.13324	2.9
163.11237	1.7
167.08598	3.0
169.10138	9.3
171.08081	1.0
171.11700	8.5
173.09662	2.0
173.13228	5.6
175.11250	1.5
175.14821	0.9
177.12769	2.6
177.14325	0.9
177.16327	0.9
181.10094	4.2
183.11705	6.0
185.09683	1.3
185.13239	6.7
187.11218	1.9
187.14815	3.6
189.12756	1.1
195.11720	4.7
195.13835	3.1
197.13272	6.6
199.11197	1.7
199.14841	3.3
201.12782	1.4
201.16336	1.1
207.11714	1.3
207.13628	1.0
209.13298	3.3
211.14911	4.7
213.12779	2.1
215.14453	1.8
217.15929	1.6
221.13278	1.1
223.14838	3.1
225.16420	3.0
227.14381	1.8
227.18071	1.0
229.16006	1.6
231.17598	1.2
233.15419	2.2
235.16980	1.4
241.15942	1.8
243.17503	1.2
245.18964	1.2
247.16899	2.5
255.17609	1.1
257.19113	1.4
259.17007	2.6
261.18576	2.4
271.16949	0.9
273.18616	3.0
275.20044	1.6
287.05533	1.4
287.20026	1.4
307.24310	1.0
325.21973	1.4
325.25214	5.8
335.23636	7.6
343.26328	14.3
353.24738	26.4
361.27539	1.7
371.25821	43.2
389.26874	38.1
390.26840	1.1
409.27704	1.0
417.30051	1.2
427.28516	3.6
433.41370	0.9
435.30823	0.9
445.29520	100.0
446.29825	2.5
463.30585	53.1
464.30890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
51.66341	1.6
53.03947	3.6
55.01870	2.0
55.05514	20.1
57.03435	8.6
57.07075	2.4
60.33004	1.7
65.03924	3.5
67.05507	62.0
69.03407	2.2
69.07070	20.4
69.47940	10.8
71.04979	3.9
79.05076	2.5
79.05502	41.0
81.03434	2.2
81.06590	3.6
81.07060	49.0
83.04967	4.9
83.08628	11.1
85.06541	2.4
85.94765	1.4
91.05486	58.8
93.07053	42.1
95.04965	6.5
95.08611	33.3
97.06525	6.8
97.10158	4.4
98.20728	1.8
103.05483	2.8
105.07035	55.3
107.04960	5.4
107.08591	23.3
109.06514	5.3
109.10193	8.3
111.08067	3.0
111.95916	1.5
115.05497	4.0
117.07018	26.9
119.08582	35.1
121.06504	7.0
121.10148	16.5
123.08086	4.0
125.09563	2.4
126.16749	1.7
128.06216	5.4
129.07024	20.9
131.08574	49.6
133.06490	4.2
133.10118	25.5
135.08035	2.4
135.11691	6.9
137.09627	4.1
141.06985	7.3
142.07721	2.0
143.08577	17.7
143.75035	1.6
145.06444	2.3
145.10129	26.1
147.08064	6.6
147.11690	6.0
149.09628	5.4
149.13248	3.5
155.01132	1.6
155.08539	10.0
157.10127	14.1
159.08075	1.8
159.11690	10.9
161.09579	2.5
161.13274	3.3
167.08554	3.2
169.10162	11.9
171.07977	2.2
171.11719	11.1
173.13301	5.6
181.10127	4.7
183.11719	8.1
185.09601	2.1
185.13196	8.1
187.11212	3.5
187.14847	5.1
191.14186	2.1
193.10126	2.0
195.11708	6.4
197.13248	7.1
199.14795	3.8
209.13307	4.6
211.14832	5.9
213.16464	2.6
215.14355	2.5
223.14792	4.0
225.16408	2.4
227.14384	3.3
227.17899	2.1
233.15340	4.2
247.16910	2.7
255.17470	3.4
259.16943	3.5
261.18405	2.5
273.18558	2.1
287.05493	7.3
306.19196	1.6
325.25220	7.8
335.23718	7.8
337.73621	1.6
343.26364	14.7
349.62527	1.8
353.24774	32.8
371.25821	43.7
389.26862	40.6
417.29932	2.3
427.28336	5.1
445.29507	100.0
463.21024	2.0
463.30487	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
53.03954	2.5
55.01880	2.6
55.05514	16.4
57.03438	5.5
57.07058	2.4
65.03957	1.8
65.88884	1.4
67.05177	2.6
67.05509	34.4
69.07070	14.5
69.87077	5.7
71.04999	2.9
71.99146	1.5
72.45061	1.7
79.05496	30.4
81.07065	41.6
83.04987	2.7
83.08624	6.6
84.94115	1.6
85.02945	1.7
85.06533	2.8
91.05486	44.3
93.07050	34.5
95.04977	3.7
95.08609	25.8
97.06532	4.0
97.10163	2.5
99.04520	1.6
105.07039	38.6
107.04948	2.3
107.08599	17.9
109.06524	3.9
109.10176	7.6
115.05512	2.3
117.07023	18.0
119.04898	1.8
119.08600	23.6
121.06506	3.7
121.10143	12.8
123.08087	1.7
128.06252	1.9
129.07011	15.5
130.07857	1.7
130.19464	1.5
131.08580	34.7
133.06532	2.5
133.10146	16.6
135.08075	4.4
135.11696	5.3
137.09619	2.9
141.06999	5.6
142.07729	1.4
143.08539	13.3
145.06503	1.6
145.10141	18.4
147.08109	4.2
147.11699	4.2
149.09644	3.1
149.13281	4.4
154.07744	1.7
155.08560	9.3
157.10127	8.6
159.11746	9.4
161.09616	2.0
161.13240	1.9
163.11287	1.8
167.08578	3.3
168.09464	1.6
169.10141	6.6
171.11737	6.3
173.09637	1.9
173.13264	4.0
177.12747	1.7
181.10255	3.6
183.11734	5.0
185.13297	5.8
187.14882	3.7
195.11760	3.5
197.13293	5.1
199.14851	3.1
209.13304	3.7
211.14832	3.7
213.16568	1.9
223.14954	2.3
225.16373	1.9
229.27539	1.4
233.15379	3.1
237.16333	2.1
259.17038	2.1
273.18591	1.9
287.05542	3.9
296.52274	1.5
309.22058	1.5
325.25104	3.6
335.23682	5.9
343.26352	8.0
353.24768	20.6
371.25839	28.3
389.26895	29.0
413.21701	1.6
427.28534	5.4
445.29535	100.0
463.30463	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.306
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02397	1.0
53.03955	5.8
55.01872	3.3
55.05268	1.5
55.05516	18.7
57.03450	8.2
57.07079	3.0
61.02900	0.9
65.03941	3.7
67.05514	73.1
69.03439	1.2
69.07078	26.1
69.14842	5.5
69.15273	4.8
71.01351	1.8
71.04999	5.8
76.31516	0.9
79.05502	50.9
81.03423	2.9
81.07066	94.9
83.04988	7.0
83.08630	17.3
85.06538	4.8
91.05489	28.0
93.07055	69.3
95.04987	6.0
95.08618	25.6
97.06538	13.7
97.10188	3.9
99.08118	4.1
105.04520	2.9
105.07046	11.3
107.04977	1.5
107.07880	2.2
107.08609	38.7
109.06536	2.7
109.10173	5.4
111.08089	7.9
113.09658	1.7
117.07030	12.1
119.08585	4.6
120.99847	1.0
121.06542	2.2
121.10155	21.1
123.08062	1.1
123.11724	3.8
127.07545	1.6
129.07001	2.1
131.08583	15.0
133.10139	11.1
135.08086	2.6
135.11710	11.4
139.11243	1.4
143.08595	2.2
144.09468	1.0
145.10237	1.3
147.11765	1.8
149.09607	1.2
149.13275	46.0
151.11205	1.7
157.10165	1.3
159.11710	17.2
167.14429	2.2
177.12758	11.5
190.26985	1.1
195.13820	20.8
203.07361	1.1
213.14926	2.8
219.13918	2.3
227.12704	1.1
269.17334	1.2
287.05606	2.5
292.08557	1.1
353.24722	1.6
371.25784	1.7
389.26929	2.1
445.29440	3.9
463.30612	100.0
464.31299	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
53.47020	10.1
55.05491	23.9
57.07069	38.5
61.42344	8.5
67.05498	35.3
68.10545	7.3
69.07079	57.0
71.04980	11.2
71.08607	28.6
79.05480	29.0
81.07060	79.3
83.08614	35.1
85.10174	28.0
85.50959	8.2
91.05470	22.6
93.07046	43.0
95.08611	73.1
97.06524	12.5
97.10187	23.7
105.07019	29.8
107.08588	57.2
109.10162	47.0
111.11765	13.2
119.08558	32.2
121.10152	38.8
123.11703	14.6
129.40021	8.6
131.08553	26.9
133.10103	34.9
135.11696	20.7
137.13206	9.3
145.10146	37.3
147.11665	33.7
149.13251	26.5
155.07042	11.1
157.10123	21.1
159.11710	38.3
161.13284	13.3
163.14745	11.6
165.09114	17.8
171.11629	13.6
173.13268	14.9
175.14807	12.2
185.13179	9.7
189.16245	10.3
189.42412	8.8
191.10678	9.9
219.13666	9.5
341.32199	15.0
343.30045	9.7
343.33701	27.2
352.22943	8.2
385.34354	13.4
427.35797	63.9
445.36789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05515	19.4
57.07080	36.4
66.43481	3.5
67.05499	9.1
69.07078	33.9
69.49781	18.8
69.50196	7.5
71.08642	25.8
74.58635	3.5
75.75319	3.5
79.05516	5.2
81.07047	18.9
83.08624	22.3
85.10175	12.4
91.05427	6.0
93.07058	10.5
95.08611	26.1
97.10194	9.4
98.21549	7.3
99.04478	5.6
105.07030	9.6
107.08596	12.3
109.06519	16.5
109.10151	7.6
111.11694	3.6
119.08569	9.2
121.10149	5.3
123.08080	8.6
123.11687	4.9
125.05996	20.4
127.07555	36.4
135.08095	4.8
137.05995	9.2
137.09622	8.0
139.07545	100.0
139.08624	5.0
149.09601	3.8
151.07486	9.6
163.07524	5.0
165.09088	5.5
167.07037	3.9
177.09151	8.9
274.40344	4.0
319.29831	7.4
344.31613	4.5
347.32999	10.0
373.30887	5.1
417.37354	12.5
445.36826	78.1
463.31842	6.0
463.37851	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3789
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.14875	1.9
55.05515	12.6
57.06830	2.6
57.07085	34.5
67.05509	8.5
69.07078	22.1
71.08641	24.9
79.05500	3.8
81.07071	20.3
83.08626	12.5
85.10195	14.7
87.55915	2.0
91.05491	7.0
93.07040	6.7
95.04991	4.0
95.08618	19.4
97.06512	4.0
97.10185	10.1
99.04477	3.3
105.07034	5.4
107.08603	5.8
109.06531	14.5
109.10178	8.3
111.08120	1.8
111.11711	5.1
119.05003	2.5
119.08602	5.7
121.10183	3.6
123.08080	11.9
123.11695	4.9
125.06007	12.6
127.07568	41.3
131.08585	3.7
133.10185	4.0
135.08089	3.5
135.11690	2.7
137.05986	3.6
137.09648	2.7
139.07553	100.0
149.06017	3.8
151.07561	33.9
151.08688	3.4
152.07875	12.1
161.13281	2.7
167.07086	4.6
168.10240	7.0
169.10555	3.9
173.82990	1.7
177.09140	15.4
301.28702	2.9
319.30026	9.9
347.33191	17.3
349.97849	1.9
373.31021	4.9
403.35876	2.6
417.37192	15.4
427.36325	2.2
445.30399	3.4
445.36804	55.0
463.30963	3.6
463.37836	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	464.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01871	3.6
57.03434	4.7
61.02929	9.0
67.01858	1.2
67.05509	0.9
69.03087	1.1
69.03435	16.1
69.57829	4.5
71.04980	2.2
73.02904	3.2
79.03051	0.6
79.05473	1.3
81.03431	8.8
83.01350	2.5
84.04532	1.1
85.02911	76.7
87.04475	2.6
91.03956	4.7
95.04940	1.5
97.02895	21.6
99.04467	3.4
103.87593	0.7
105.03368	2.2
109.02888	6.5
115.03932	1.0
119.55638	0.8
120.04485	1.4
123.04434	9.9
127.03924	17.6
131.83324	0.7
133.02763	1.2
139.03860	1.0
144.06599	1.0
145.04971	37.6
147.04428	0.9
151.03880	6.5
162.07558	0.8
163.03928	1.0
163.06038	10.7
169.05003	9.3
179.03404	14.3
197.04466	100.0
205.03145	0.7
271.05969	1.8
303.05392	0.9
325.05548	0.7
359.09708	7.9
464.18112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01864	2.4
57.03437	5.0
61.02930	9.7
67.24419	0.6
69.03434	15.9
69.80190	3.3
71.04982	2.3
73.02926	3.8
79.05495	1.9
81.03426	7.6
84.04523	0.9
85.02910	100.0
86.08967	0.7
87.04472	2.1
91.03963	6.4
96.04498	0.6
97.02898	29.1
98.06079	1.0
98.21433	0.9
99.04446	3.3
105.03391	1.7
109.02892	7.4
115.03957	1.2
115.85688	0.7
121.06519	0.7
123.04425	10.4
126.05563	1.1
127.03931	26.8
139.03922	1.3
144.06589	2.8
145.04971	59.5
151.03871	1.0
162.07661	1.5
163.06038	23.9
165.05577	1.5
169.04936	0.7
177.50381	0.7
180.08678	1.5
197.04520	1.0
285.09583	1.3
324.12900	0.8
325.11462	1.6
464.18390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22227	0.5
51.30691	0.6
53.03939	1.9
54.08139	0.5
54.46928	0.5
55.01874	2.1
57.03440	4.4
60.04527	0.7
61.02934	8.8
66.54016	0.5
69.03432	13.5
69.44240	3.8
70.06580	0.5
71.01374	0.6
71.04995	2.3
73.02930	3.5
79.05083	0.5
79.05475	3.2
81.03423	5.6
84.04505	1.1
85.02908	100.0
87.04483	2.3
91.03965	5.8
97.02895	28.3
98.06070	0.6
99.04467	4.8
103.03957	0.7
105.03403	2.1
109.02879	9.0
115.03941	1.7
123.04429	8.9
126.05532	0.8
127.03925	25.6
144.06519	2.9
145.04967	52.1
162.07663	1.0
162.12883	0.5
163.06020	23.4
180.08693	1.0
180.16411	0.5
244.02274	0.6
246.53397	0.5
285.09711	1.4
324.13025	0.7
325.11362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46566	0.8
58.55800	0.8
58.58015	0.9
69.58715	0.8
70.06573	1.3
71.20107	1.4
71.20427	0.9
74.02440	0.9
77.02876	0.7
84.08144	0.9
85.02907	1.3
100.13725	0.7
111.93105	0.8
117.07053	1.0
118.06554	16.7
130.06589	0.8
130.08659	2.1
132.08104	4.0
142.06471	1.4
143.07271	2.4
144.08096	12.1
146.06021	57.9
159.09195	7.1
170.05986	3.4
174.13861	0.8
188.07082	100.0
205.09738	46.8
260.11206	1.6
272.02298	0.8
303.04932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01866	0.5
57.03424	1.3
58.62423	0.3
61.02651	0.5
61.02930	7.5
68.99783	1.0
69.03416	1.1
70.47852	1.2
71.04999	5.0
73.02921	2.1
74.30082	0.4
81.03429	0.8
85.02908	10.7
91.03953	3.1
97.02892	3.7
98.21378	0.5
99.04491	0.4
109.02864	1.1
111.00798	1.3
113.89371	0.4
121.02848	0.5
127.03910	0.9
129.05476	1.0
136.83737	0.3
137.02339	4.0
137.03314	0.5
139.74976	0.4
145.04944	1.0
149.02382	0.5
153.01819	6.9
155.04970	0.4
161.06035	0.5
163.03914	0.6
165.01842	2.9
183.02870	1.0
183.04350	0.5
195.02838	0.4
201.05473	2.2
221.12692	0.3
228.04184	0.5
229.04944	5.7
245.04587	0.9
247.06004	1.1
257.04459	3.2
270.91708	0.4
273.04013	0.5
274.04724	0.8
285.03912	1.4
303.04999	100.0
304.05350	1.4
319.04507	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	465.1024
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
67.01881	0.2
68.99786	0.5
69.03418	0.3
69.66714	0.2
70.06574	0.7
70.11076	1.1
71.04989	0.3
72.08162	0.5
73.02922	23.6
81.03400	0.2
84.08149	0.3
85.02908	2.7
86.09713	1.0
87.04459	2.0
91.03958	0.2
91.05460	0.4
93.07035	0.3
95.04988	0.3
95.08624	0.4
96.08887	0.2
99.04462	0.6
109.02847	0.5
109.10171	0.3
111.00822	0.6
117.05506	0.6
120.08104	0.8
121.02861	0.7
123.04469	0.4
127.03978	0.3
135.04382	0.4
137.02348	3.1
145.05023	0.3
149.02249	0.5
153.01819	3.7
153.12704	0.4
161.06059	0.4
163.04051	0.3
165.01852	1.9
173.05974	0.4
183.02878	0.7
183.78072	0.2
187.03952	0.3
191.07150	0.2
201.05476	1.4
205.05032	0.3
219.06523	0.3
220.13329	0.2
229.04988	4.1
247.06046	0.6
257.04382	2.4
274.04779	0.9
285.03970	1.2
285.08420	0.6
303.05008	100.0
304.05249	1.4
369.90643	0.3
442.23196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.5
55.05524	0.4
55.46874	0.3
57.03437	0.7
61.02927	1.0
66.50671	0.3
67.01886	0.3
67.05513	0.5
68.99803	1.0
69.03444	0.7
69.07091	0.3
70.06586	0.9
71.01344	0.5
71.04992	0.7
71.52940	0.3
72.08161	0.8
73.02927	23.5
74.09723	0.7
79.05494	0.4
81.03413	0.6
81.07059	1.1
84.04501	0.6
84.08134	0.4
85.02917	5.4
86.05425	0.3
86.09701	1.6
87.04483	2.1
91.03963	0.4
91.05453	0.5
93.03348	0.3
93.07047	1.1
95.04980	0.7
95.08620	0.6
97.02910	1.2
99.04456	0.9
105.07031	0.5
107.08600	0.7
109.02840	0.4
109.10158	0.6
111.00858	1.4
115.03979	0.4
117.05505	1.2
120.08118	1.2
121.02887	0.9
123.04411	0.6
123.08165	0.3
127.03911	0.7
128.05699	0.4
131.05031	0.3
133.10133	0.4
135.04405	0.3
135.11737	0.4
136.07564	0.3
137.02374	3.5
145.02884	0.5
145.10098	0.4
147.04439	1.4
147.11650	0.3
149.02310	0.3
149.09624	0.3
153.01848	5.5
153.12772	0.6
155.03400	0.5
159.04509	0.3
161.05957	0.4
163.03908	1.2
165.01884	2.3
173.06021	0.6
175.03995	0.4
175.11456	0.3
177.05408	0.5
183.02951	0.7
191.06976	0.4
193.04991	0.4
201.05516	1.8
217.05016	0.9
218.05319	0.9
219.03125	0.4
219.05542	0.9
219.36752	0.3
229.05006	4.6
237.05527	0.4
239.03467	0.5
243.02992	0.5
244.09775	0.3
247.06076	0.8
253.04977	0.6
257.04495	3.4
271.02451	1.0
271.92068	0.3
274.04700	0.6
281.04434	1.3
283.06058	0.4
285.03885	2.3
287.05469	1.0
288.05856	1.0
289.06262	0.7
299.05594	1.2
299.09210	0.3
301.07101	0.6
303.05026	100.0
304.05426	1.2
311.05557	0.3
313.03409	3.2
319.04477	1.1
355.04556	7.0
465.08157	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	465.1031
Annotation	Myricitrin
Peak:m/z	Relative Intensity
53.03955	0.6
55.16738	0.6
57.03442	3.7
63.25241	0.7
66.07072	0.5
68.99792	1.4
69.87108	2.9
71.04996	23.5
83.04975	0.6
85.02908	24.5
87.04446	1.3
111.00823	0.7
129.05496	6.4
134.48494	0.6
137.02281	1.5
147.06488	1.8
153.01837	7.7
165.01857	5.6
166.13441	0.6
179.03418	1.8
195.02919	2.6
203.03426	1.2
207.02908	2.0
217.05061	0.9
227.03366	0.9
245.04463	5.0
273.03955	7.4
290.04254	1.5
301.03430	2.5
303.05020	18.5
319.04492	100.0
465.10547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	AC1MML41
Peak:m/z	Relative Intensity
51.02377	1.5
51.98816	0.9
53.03941	1.1
54.11640	1.0
55.01860	3.6
55.95272	0.9
57.03434	1.2
61.02922	4.0
67.05500	1.4
68.99789	2.7
69.03429	7.7
70.03761	1.2
70.06593	2.0
70.13127	0.9
70.67474	2.1
71.04977	1.3
72.08168	1.1
73.02919	1.6
77.03923	1.5
81.03417	3.8
83.01361	1.0
85.02910	25.1
86.03254	6.2
86.09702	1.5
91.03951	2.4
91.05482	1.1
95.01331	1.5
95.04985	2.9
97.02896	8.3
98.03234	1.6
99.04445	1.8
105.03384	2.5
109.02847	3.1
111.00855	1.6
111.04446	1.2
121.02875	2.9
121.06522	1.0
123.04434	100.0
124.05104	1.0
127.03924	21.7
128.04248	2.2
131.04897	1.2
135.04411	12.4
135.54999	0.9
137.02328	2.7
139.03915	14.2
143.04956	2.0
145.04967	8.9
146.05316	4.1
147.04396	5.6
149.02396	1.4
149.06027	1.1
151.03906	3.2
152.04272	1.7
158.09990	2.3
161.04831	0.9
161.05998	6.5
163.03917	19.4
163.06012	3.0
164.06358	1.7
165.01865	3.3
165.05441	1.1
167.03421	4.9
167.07022	2.0
169.04964	1.7
169.06450	1.0
170.05389	0.9
173.05963	1.9
175.03897	2.0
177.01859	8.7
179.03413	13.9
180.03796	3.2
187.03947	1.1
189.01830	1.2
189.05482	1.6
191.03426	7.7
193.04985	18.7
195.02866	5.1
197.04457	17.3
197.05988	1.6
198.04819	15.8
201.05414	0.9
203.03342	4.6
205.01344	2.2
205.04939	3.8
207.02905	2.9
213.05621	1.1
215.03398	1.5
217.04938	2.1
219.02917	7.8
221.04475	1.4
223.02412	12.0
229.05020	2.7
231.02945	2.1
233.04504	5.9
234.98970	3.0
245.04408	1.2
249.03958	1.4
253.04874	1.1
255.06541	3.5
257.04398	1.2
259.02466	2.6
261.03940	4.6
263.54205	0.8
265.04990	1.1
267.11322	4.0
271.06030	75.3
272.06784	15.4
273.07581	3.2
277.00079	2.7
279.05005	17.3
283.06216	1.3
285.12350	4.1
289.07089	2.8
295.04578	4.0
297.06073	7.9
303.04980	23.3
303.08572	6.0
303.13193	4.4
307.04587	3.4
311.05457	1.3
313.05884	1.4
319.04617	5.6
323.05341	1.9
325.05524	17.4
337.05688	7.3
345.06381	1.2
360.09979	2.4
411.07236	1.9
429.08408	6.3
447.09137	4.0
448.86505	1.0
465.10245	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	465.1031
Annotation	Myricetin-3-Rhamnoside
Peak:m/z	Relative Intensity
50.60718	0.4
54.53043	0.4
55.05507	0.6
57.03440	4.2
61.02925	1.0
68.99797	1.2
69.03423	1.9
70.06583	0.6
71.04999	25.9
71.16990	0.7
72.08162	0.8
73.02921	0.5
75.04460	0.4
81.03407	1.8
81.07066	0.4
83.04961	1.1
84.08167	0.7
85.02910	30.0
86.09689	1.2
87.04460	0.7
91.05489	0.7
95.04967	0.5
97.02905	1.3
99.04546	0.5
105.07056	0.9
107.04990	0.6
109.02897	0.5
111.00822	0.8
111.04440	0.6
119.04952	0.7
120.08087	1.1
121.02877	1.3
121.10185	0.5
125.02323	0.8
126.03046	0.5
127.03931	1.3
129.05493	7.0
129.10207	0.6
137.02339	2.3
145.04910	0.6
147.04420	1.7
147.06508	1.2
151.03886	0.6
153.01840	7.8
161.06010	2.4
163.03928	0.6
165.01875	5.4
169.01338	2.3
177.05429	0.8
179.03384	2.6
181.01338	0.6
183.02957	1.1
193.04979	2.9
193.12224	0.5
195.02921	1.9
199.03879	0.6
203.03415	1.6
207.02882	2.4
217.05023	1.6
229.05072	0.8
232.03659	1.3
241.13353	0.5
245.04468	4.9
245.58362	0.5
249.04095	0.6
255.02948	0.6
257.04443	0.9
267.11304	2.3
273.03976	6.5
283.02347	0.7
285.12387	1.8
290.04208	1.2
301.03482	2.1
303.05038	36.4
303.08664	2.7
319.04501	100.0
320.04898	0.8
465.14813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Delphinidin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01854	0.4
55.05492	0.2
68.99803	0.6
69.01221	0.1
69.03419	0.2
70.85336	0.3
73.02929	1.3
81.03406	0.1
82.58376	0.1
83.08600	0.2
84.04492	0.2
85.02918	0.8
86.09674	0.2
91.05449	0.2
95.04976	0.2
97.02888	0.3
100.11219	0.5
105.03396	0.4
107.04934	0.5
111.04421	0.2
112.93510	0.1
117.06919	0.1
121.02032	0.2
121.02880	2.9
123.00780	0.2
125.02348	0.5
131.04892	0.5
133.02783	0.2
135.04446	0.1
137.02357	0.3
139.00243	0.2
140.68863	0.1
141.01848	0.2
145.06493	0.4
147.04443	0.2
153.01862	1.0
154.12244	0.2
159.04407	0.4
161.05894	0.2
168.13885	0.1
169.01349	6.4
171.02921	0.2
173.05969	0.4
181.01363	1.2
182.15346	0.2
183.04425	0.5
185.00937	0.2
187.03899	0.3
201.05611	0.8
211.04114	0.2
229.04974	0.9
237.16428	0.1
247.06091	0.6
257.04523	1.0
274.04742	0.8
275.05411	0.4
281.18774	0.3
285.03983	0.4
295.20090	0.1
303.05023	100.0
304.05283	0.8
465.10364	13.0
465.34354	0.7
466.10846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03948	0.3
54.29622	0.2
55.01866	0.3
55.05501	0.3
57.03432	0.4
59.04989	0.3
59.43512	0.2
61.02910	0.8
67.05493	0.7
68.99796	0.5
69.03435	1.7
69.22314	0.2
70.06587	0.6
71.01344	0.5
71.04983	0.5
71.52876	0.4
73.02921	13.9
74.09705	0.3
76.02217	0.4
79.05512	0.2
81.03407	0.6
81.07038	0.7
83.08587	0.3
84.04493	0.3
84.08148	0.3
85.02915	5.9
85.62427	0.2
86.09693	0.9
87.04458	0.9
89.03929	0.4
91.03935	0.5
91.05478	0.4
93.03403	0.3
93.07037	0.4
95.04982	0.5
95.08570	0.4
97.02896	1.6
99.03858	0.3
99.04459	1.0
105.07027	0.5
107.04950	0.3
107.08616	0.5
109.02879	0.7
110.07174	0.3
111.00794	0.7
115.03932	0.9
115.78871	0.2
117.03371	1.1
117.05466	0.4
120.08125	0.4
121.02869	1.0
121.06522	0.2
123.04427	1.8
123.08062	0.3
123.11703	0.2
127.03958	1.2
135.04396	0.4
135.08051	0.3
137.02338	2.9
145.02888	2.7
145.04950	0.7
147.04449	0.3
149.02316	0.5
149.06058	0.3
150.96541	0.2
153.01831	3.7
155.04948	0.4
161.05998	0.2
163.03937	0.7
165.01831	1.8
172.00072	0.2
173.05972	0.6
175.94577	0.2
177.04048	0.4
177.05486	5.3
177.08949	0.2
179.03391	1.9
183.02930	0.6
187.03943	0.5
201.05530	1.3
213.05478	0.6
219.06589	0.4
229.04973	4.2
247.06020	1.0
250.15221	0.3
257.04474	3.1
271.06070	1.7
274.04718	0.7
285.04025	1.4
285.07416	0.5
285.12357	0.7
287.05557	2.3
288.05826	0.4
289.06116	0.5
302.03995	0.3
303.05008	100.0
304.05316	0.8
319.04486	0.7
343.04391	0.6
345.05957	0.3
465.10284	2.5
465.22617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Hesperetin 5-O-glucoside
Peak:m/z	Relative Intensity
53.03950	1.1
55.01863	2.5
55.05501	0.7
57.03431	1.9
61.02936	3.4
65.03960	0.5
68.99802	0.9
69.03435	8.5
69.07070	0.6
70.06593	1.4
70.76430	0.9
70.76779	0.8
71.01358	0.6
71.04999	1.4
72.08147	2.2
73.02910	1.2
76.02194	0.7
79.05470	0.7
81.03430	4.9
81.07070	0.9
84.04513	3.9
84.08167	0.6
85.02912	21.6
85.04829	0.8
86.09708	1.6
87.04459	1.5
91.03953	1.4
91.05479	4.0
95.04949	1.4
96.08115	1.0
97.02896	7.6
99.00813	0.7
99.04470	1.7
101.21571	0.5
105.07029	1.0
109.02876	2.0
115.05459	9.6
116.01726	1.4
119.04967	3.4
120.08143	0.9
121.06512	1.9
123.04441	11.3
124.07641	0.9
125.02354	0.8
127.00320	0.7
127.03933	5.9
131.04941	0.7
133.06531	1.5
134.03636	0.6
137.02338	1.1
137.05981	6.6
141.01883	0.6
143.03430	2.4
143.04929	17.0
144.05692	0.7
145.04965	3.3
145.06317	0.6
147.04407	9.3
149.05980	1.4
155.03394	6.0
156.03925	0.6
157.06517	0.6
161.05994	63.1
162.02219	1.3
162.06683	1.2
163.03857	1.3
165.05498	2.0
170.08131	1.2
171.08415	1.3
175.03873	4.6
175.07568	0.8
177.05521	1.3
179.03452	0.6
182.77124	0.5
193.04982	100.0
194.05476	1.2
197.05898	0.8
203.07062	1.3
215.07076	1.1
229.08669	0.6
239.07051	0.9
242.05785	0.9
243.06464	0.7
243.08737	0.6
257.08011	1.0
259.11111	2.7
260.11386	3.0
263.05530	1.4
267.06601	0.9
285.07510	2.6
288.06479	0.6
303.05145	5.5
303.08633	68.1
304.08899	0.8
319.04544	0.6
465.21097	2.0
481.94992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24535	1.0
51.33278	1.0
51.33520	1.1
53.03948	2.1
55.01871	4.0
55.05524	7.2
55.05744	1.8
57.03431	3.9
64.92571	1.0
65.03956	1.3
67.05505	19.1
69.07070	5.5
70.32185	2.8
71.04987	3.1
79.05497	15.7
81.03429	6.5
81.07061	22.0
83.04990	5.8
83.08627	6.0
85.02898	4.2
85.06533	2.8
91.05491	17.3
93.07048	18.0
95.04975	100.0
95.08609	10.4
97.02914	1.9
97.06551	4.6
97.10167	4.4
98.20689	1.2
102.42295	1.1
103.05502	1.1
105.04573	1.1
105.07050	10.2
107.04958	13.6
107.08595	10.5
109.06532	6.0
109.10178	6.6
111.04433	1.3
111.08088	2.2
115.05391	1.0
117.07033	10.0
119.08595	10.9
121.06506	11.8
121.10143	6.7
123.08070	4.4
123.11723	1.2
125.09648	3.6
129.06989	2.5
130.07793	1.0
131.08582	13.1
133.10110	8.4
135.08058	3.8
135.11700	10.6
137.09669	1.2
141.06985	1.3
143.08582	3.0
145.06488	2.0
145.10117	10.4
146.03624	1.0
147.08063	5.3
147.11667	1.7
148.05200	1.3
149.09644	1.7
149.13252	1.9
153.01808	1.7
153.12801	2.5
157.10173	3.1
159.07985	1.1
159.11691	11.0
161.05922	1.2
161.09622	3.8
163.11197	19.6
169.10121	2.9
173.11736	1.0
177.12805	7.5
181.12286	2.4
185.09625	1.9
185.13216	1.6
187.11186	14.7
189.11221	3.3
193.12259	2.9
203.03317	1.5
203.10648	1.3
205.12277	11.7
211.13240	2.3
219.13817	2.6
221.15421	1.8
223.13315	20.5
227.12814	2.8
242.05864	2.6
247.13202	1.4
255.15926	1.2
257.04434	15.0
258.05234	5.9
259.17133	1.4
261.14783	1.4
279.15881	1.9
285.03958	2.0
286.04700	10.8
287.05444	4.4
297.03799	1.4
297.32178	1.1
303.04959	5.6
327.23035	1.4
337.21677	3.4
355.22736	18.2
372.72195	1.3
373.23721	37.4
391.24576	3.4
447.10910	5.6
447.21176	1.4
447.27438	29.2
465.11884	30.4
465.28580	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05508	2.0
57.03448	4.3
57.07055	1.8
59.04993	0.9
61.02914	2.0
67.05177	1.2
67.05511	17.4
69.03432	10.8
69.07067	6.9
69.36717	6.6
71.05016	1.0
73.02912	1.4
73.30996	0.8
78.96256	0.9
79.05496	14.2
81.03380	2.7
81.07061	100.0
83.04968	1.6
83.08621	5.0
85.02903	11.1
87.04473	8.1
91.03933	1.1
91.05481	6.4
93.07048	15.5
95.04945	1.8
95.08614	19.3
97.02892	12.3
97.06524	3.5
98.25093	0.9
99.04475	1.0
99.08095	1.6
105.07009	2.6
107.08575	8.4
109.10141	2.4
111.08071	1.4
115.03183	1.3
115.03936	19.2
117.07008	2.2
117.93235	0.8
117.95678	0.9
121.06541	1.0
121.10146	3.4
123.11681	1.1
127.03902	2.4
128.24400	0.9
131.08548	3.7
133.04025	1.5
133.04970	20.7
133.10153	6.5
135.11690	2.9
137.13254	19.0
145.04939	2.2
145.10027	0.8
149.13248	7.0
150.07646	1.9
159.11708	13.7
161.13239	1.4
177.12755	15.4
179.14331	5.2
191.56004	0.9
195.13792	6.3
209.18622	0.7
225.03864	0.7
251.16423	2.8
259.08197	1.5
259.94830	0.8
269.17493	53.4
295.10144	1.7
394.25385	0.9
431.22672	1.1
448.21033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17031	0.3
55.05494	0.4
56.05025	0.3
56.98710	0.4
57.06822	0.6
57.07077	6.1
58.06595	1.7
65.03941	1.1
66.96017	0.4
67.05516	0.7
68.05003	0.4
69.07055	0.5
70.06599	15.1
70.69710	0.7
70.70040	0.5
71.08628	1.9
72.08142	0.4
81.07069	0.6
85.10216	0.8
88.07642	16.4
91.05509	0.4
92.37218	0.4
98.34379	0.3
102.09187	13.8
121.02869	0.4
139.03905	0.6
149.02364	44.5
149.03435	3.3
150.02702	0.5
193.04982	44.7
212.23784	0.7
237.07591	47.6
253.00443	0.4
254.14990	0.4
256.26379	41.0
260.48880	0.4
283.44849	0.4
300.29031	1.2
306.44461	0.4
466.31677	100.0
467.32028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
53.34710	0.3
54.97162	0.3
57.14855	0.3
62.76931	0.3
65.03939	2.0
68.90263	0.3
69.03090	0.5
69.03434	6.3
69.17805	1.7
69.18234	1.6
72.08154	0.3
73.02936	0.4
75.19115	0.3
81.03404	0.4
81.07022	0.4
93.03409	0.6
95.04967	1.4
97.02899	1.3
98.20683	0.6
108.70873	0.3
109.02852	0.3
111.04448	1.0
121.02871	100.0
122.03189	0.7
123.04433	2.0
127.03913	3.5
137.02385	0.5
139.03894	2.4
149.02361	1.0
153.01857	1.5
165.01852	0.5
167.03355	3.3
185.04468	19.5
197.04366	0.3
209.04500	1.2
247.05943	0.5
257.04666	0.5
265.07108	3.1
283.08170	3.8
287.05615	1.8
303.04996	7.3
305.05869	1.1
329.06601	0.8
331.04544	1.7
407.07440	0.7
467.09842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66255	0.9
53.03942	2.3
54.35325	0.9
55.01866	3.3
55.05515	2.4
57.03445	5.0
58.48986	1.0
61.02921	4.0
67.05502	2.5
68.99797	1.2
69.03448	7.8
69.07066	1.1
70.06593	3.4
70.86418	2.3
71.05001	25.5
71.63281	1.0
72.05329	5.4
72.08157	1.2
73.02923	2.7
73.05424	1.3
81.03415	4.6
81.07053	1.4
84.04489	1.5
85.02915	37.9
86.03237	5.0
86.06068	6.1
86.09707	3.0
87.03332	2.9
87.04479	1.7
87.35564	1.3
91.03968	1.2
91.05479	2.2
93.07030	1.8
95.08614	1.7
97.02902	11.4
98.09702	2.5
103.05498	1.0
107.04956	1.6
107.08576	2.3
109.02863	1.6
111.04485	2.0
117.07047	1.2
118.06562	1.1
119.04937	1.8
119.08590	1.5
120.08108	4.7
121.02934	6.7
121.06506	7.0
121.10197	1.3
123.04450	2.5
125.02370	18.4
127.03932	4.3
129.05469	4.1
129.10251	1.4
130.05788	1.3
133.10159	1.2
136.07570	4.1
137.02353	2.3
143.03409	43.4
143.04533	2.2
145.04964	3.8
145.06508	6.9
146.06026	2.9
147.04425	5.1
148.04742	1.3
150.44139	0.9
151.03876	3.1
153.01852	5.9
154.02174	1.6
163.07561	100.0
165.01869	2.4
166.02222	1.4
169.04913	5.1
173.06007	2.6
179.03421	1.3
187.03841	1.3
193.04955	1.6
201.05476	3.0
211.06013	4.2
212.09442	3.7
223.12381	1.0
229.05055	2.2
233.09554	1.1
241.13329	1.3
247.06075	28.6
254.23360	1.1
260.09970	1.0
269.12927	9.2
273.03912	2.1
274.04080	1.7
275.04477	2.6
287.06030	1.4
287.09064	5.6
287.13904	9.8
303.05084	7.6
304.05408	5.3
305.05667	11.9
305.10126	23.1
319.04492	23.4
320.04874	24.7
321.05048	62.7
409.11377	2.1
449.31369	1.5
467.20172	1.9
467.24976	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13911	0.7
51.54557	0.7
53.03924	0.8
55.01870	1.4
57.03432	1.9
61.02925	3.6
69.03432	6.3
69.44540	4.5
71.04996	0.8
73.02918	1.0
81.03408	2.7
85.02908	15.9
87.04452	0.8
97.02903	8.7
99.04465	1.4
107.04997	1.2
109.02859	2.0
117.07002	1.2
121.02850	4.8
121.06517	4.7
125.02358	12.9
127.03916	3.0
137.02351	1.9
143.03403	38.7
145.04959	3.0
145.06502	6.1
147.04431	1.6
151.03854	2.1
153.01784	2.1
154.31308	0.7
163.07552	100.0
169.04965	4.9
173.06023	1.7
183.04457	1.0
193.04973	2.1
201.05553	1.0
211.06023	3.2
229.04993	2.0
241.13409	1.1
247.06018	23.7
259.06174	0.9
269.12875	3.1
286.96194	0.8
287.09088	5.5
287.13916	1.9
298.23978	0.7
305.10446	21.0
409.11185	1.5
449.19357	1.1
467.20486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14413	0.2
56.12112	0.2
56.96572	19.3
56.96843	0.8
61.90139	0.2
67.05473	0.4
70.18995	0.5
70.19388	0.6
71.95268	2.7
72.96049	1.6
75.79887	0.3
81.00227	0.3
81.07030	0.3
82.25538	0.2
84.96008	0.4
97.96837	0.7
105.00125	1.1
110.97569	1.2
115.00690	0.4
119.01656	0.6
123.01133	0.4
128.98613	0.6
137.02754	1.3
141.02209	0.4
145.39899	0.2
151.00635	0.3
151.04305	0.5
155.03812	0.5
169.05324	0.5
179.07462	0.6
195.06877	0.4
199.06470	0.4
207.10535	0.3
211.06436	0.4
223.10004	4.6
229.07446	0.5
235.10057	6.3
241.11134	42.7
242.11548	0.5
253.11131	80.2
254.11632	0.6
259.12204	33.4
264.12772	2.9
271.12189	100.0
272.12509	0.8
276.12646	2.0
282.13773	1.7
289.13229	2.3
294.13776	12.0
295.13824	0.3
305.07919	0.4
449.19769	0.3
467.26859	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.3
57.03441	8.7
57.06794	1.5
57.07079	28.8
67.05508	10.7
69.07066	5.9
71.01536	1.1
71.01885	0.8
71.08241	1.1
71.08636	22.0
79.05496	0.8
81.07065	10.4
83.08617	5.9
84.82819	0.6
85.06519	0.5
85.10184	10.6
86.23080	0.5
93.07015	1.0
95.08613	13.8
97.10174	3.1
98.98473	39.6
99.11734	0.7
103.07536	0.7
109.10167	7.0
111.11705	1.1
123.11747	2.8
125.13242	0.5
136.99985	2.6
137.13216	1.2
155.01047	45.2
193.02589	0.8
196.03827	0.6
211.03716	1.8
229.04758	2.2
239.23700	5.3
257.24805	0.6
313.27371	100.0
393.24002	3.7
449.26599	15.6
467.37320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.6
57.03444	1.4
57.07084	28.5
59.05007	4.9
62.39809	0.8
65.03957	2.5
67.05511	79.5
69.07073	7.7
70.67648	2.1
71.04988	2.7
71.08640	21.6
74.99259	1.0
75.66625	1.0
79.05482	2.9
81.07068	22.2
83.08627	12.3
85.06545	2.3
85.09730	1.0
85.10197	11.2
89.06038	1.4
91.05492	5.7
93.07063	2.8
95.08617	22.6
97.10159	4.0
99.11781	1.0
107.08563	1.8
108.36899	0.8
109.10165	62.3
111.08103	2.2
111.11725	1.1
114.23808	0.9
115.66206	1.2
119.08596	3.9
123.11716	3.3
127.72069	1.0
137.09628	2.7
137.13306	1.8
155.10699	3.7
173.11752	21.8
197.14798	1.0
239.23778	6.5
253.81757	1.2
361.55005	1.0
385.70493	1.1
467.37399	100.0
468.37592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27288	1.6
60.04512	3.2
66.90984	1.3
67.05518	1.6
69.03429	2.0
70.02950	4.2
70.06599	9.2
71.05003	100.0
72.08162	2.0
74.00662	1.8
76.04003	3.8
79.05526	2.4
81.07084	11.7
84.04499	6.1
84.08144	2.1
85.02905	4.9
86.09715	4.2
88.04015	1.4
91.05486	3.1
94.18427	1.8
97.02915	1.8
98.09686	2.1
99.05558	2.7
101.04265	1.7
110.07233	1.5
113.09660	57.9
116.07132	1.8
120.08132	4.5
130.05031	4.6
136.07600	4.1
145.05057	3.0
145.06093	25.4
147.04399	2.7
154.06859	4.6
155.40021	1.5
161.05602	3.5
172.07935	3.5
177.03316	3.8
184.09679	2.4
200.07407	6.4
210.11246	9.3
254.56680	1.8
257.09625	13.8
271.14462	1.5
274.10333	2.0
275.10620	2.4
288.06894	2.0
289.15561	2.8
306.06799	1.8
386.13870	11.2
404.14960	9.0
436.17575	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	468.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01869	3.2
55.05518	14.4
57.03428	5.8
59.80848	1.7
61.02913	3.5
61.81421	1.6
61.88296	1.7
64.78204	1.8
67.05508	26.1
68.24255	1.6
69.03424	11.5
69.07074	13.4
70.06586	2.6
70.52425	2.3
70.52785	5.1
71.05007	10.4
73.02930	1.9
78.20515	1.8
79.05503	16.9
81.03418	17.8
81.06589	3.6
81.07059	61.4
83.04966	7.5
83.08623	11.0
84.04497	3.0
85.02904	21.8
85.06544	6.5
89.65871	1.7
91.05483	20.8
93.07048	21.7
95.04969	4.6
95.08614	67.6
97.02883	9.9
97.06523	14.2
97.10153	3.3
99.04469	9.2
99.08084	6.2
104.75830	1.8
105.06382	2.9
105.07030	25.3
107.08607	13.0
109.02872	7.4
109.06510	5.0
109.10135	6.6
111.04445	3.6
111.08096	3.6
112.11011	2.2
113.09686	2.9
117.07041	4.2
119.05013	2.8
119.08583	26.9
121.06496	4.9
121.10144	8.3
123.08065	6.5
123.11723	1.8
127.03930	15.6
129.07005	3.3
131.08601	3.7
133.10155	21.6
135.08102	2.5
135.11688	8.5
137.09615	4.0
137.13281	4.0
145.04961	4.5
145.10129	2.4
147.04387	7.5
147.08023	2.8
149.13246	1.9
151.07570	2.9
159.11783	1.9
161.09601	1.8
161.13254	46.9
163.07503	1.9
177.12715	3.6
179.14342	36.8
184.73732	1.9
185.26909	1.7
195.13826	3.9
197.15367	18.7
207.13864	2.1
209.15343	4.8
210.14748	1.7
219.13840	2.0
225.14874	2.9
237.14902	3.2
239.16481	2.3
271.18655	3.0
275.16208	2.3
287.16446	8.8
305.17511	20.2
323.18530	22.9
341.19601	100.0
359.20670	30.7
468.15482	2.5
468.22025	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1343
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00309	0.4
55.01870	0.6
60.99073	0.3
61.02914	0.4
65.03931	0.5
67.05509	0.5
68.99777	0.5
69.03425	1.2
70.86697	0.9
81.03420	0.5
81.66989	0.3
83.04969	0.6
85.02902	3.2
93.03422	0.4
95.05001	0.8
97.02892	1.3
98.21465	0.4
99.04465	0.5
107.04961	1.0
109.64243	0.3
111.04441	1.5
115.07219	0.3
119.01880	0.3
120.08068	0.4
121.02894	0.7
123.04433	1.8
127.03920	1.1
133.02881	0.8
135.04425	1.4
139.03909	100.0
140.04285	0.6
145.02835	0.4
145.04944	0.4
147.04431	0.4
151.03914	6.3
153.05452	0.9
159.04422	0.9
161.05977	0.3
163.03920	7.7
167.72765	0.3
169.04988	1.8
177.05505	1.3
181.04933	4.2
195.06447	0.6
205.05011	1.0
223.06073	0.5
237.03009	0.4
244.68690	0.3
247.06204	0.3
252.98026	0.5
265.07043	0.3
289.07095	5.3
289.10443	0.4
289.11670	0.5
307.04752	0.8
307.08170	5.3
307.12872	1.7
378.15231	0.5
471.18161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78249	0.9
53.03941	2.0
53.05988	0.9
55.01880	4.9
56.05018	3.2
57.03423	3.7
61.02928	6.5
65.03925	1.1
69.03432	18.4
70.02958	5.1
70.06595	2.6
70.64476	2.1
70.64809	1.3
71.04990	1.9
80.05006	1.3
81.03414	8.0
82.06587	1.9
84.04510	40.5
84.08162	1.3
85.02909	33.3
86.09702	2.0
87.04469	3.0
91.03918	1.0
91.05457	2.1
96.04485	1.2
97.02908	12.1
99.04452	1.7
99.05575	2.3
100.11279	1.5
101.07142	10.0
103.05508	1.2
107.04954	2.6
107.59743	1.0
108.04484	10.0
109.02867	5.0
116.07079	1.2
119.04945	2.7
121.02888	7.7
122.06030	3.8
123.04422	2.5
125.07121	21.0
127.03905	5.6
129.97693	0.9
131.04889	2.2
135.04446	3.7
137.02484	1.1
138.09140	1.8
139.03888	2.3
145.04996	3.4
147.04419	15.4
149.05983	1.2
150.05495	1.0
151.03915	1.4
154.04948	1.0
159.04396	2.1
163.03928	3.4
165.05400	1.3
172.89084	0.9
173.05986	2.9
175.03964	1.5
177.05472	6.7
179.03490	1.1
181.04951	2.9
185.04512	2.3
186.05736	0.9
186.07805	1.0
187.03889	3.3
189.05476	1.3
191.03421	1.7
193.04997	1.9
197.04558	2.1
201.05540	3.6
203.03366	9.4
204.06676	1.5
205.04945	12.3
206.04469	1.2
208.06107	1.5
209.04471	6.9
218.08112	1.5
219.06508	5.9
221.04457	43.7
222.07634	1.7
223.06013	13.5
227.17523	1.3
229.04988	3.8
233.04387	1.6
235.07872	1.1
245.04570	1.3
246.07623	3.9
247.06023	22.0
249.05112	1.4
249.07597	1.2
250.07111	3.0
257.04471	5.1
263.05096	4.8
264.08694	5.6
267.09735	2.3
274.07138	4.3
275.05505	31.1
276.31049	1.0
281.08063	1.4
291.09799	7.0
291.13434	5.5
292.04907	1.8
292.08185	33.8
292.11249	1.7
298.91107	0.9
309.07767	2.6
309.10825	74.3
309.14044	2.7
378.72241	0.9
454.13492	4.2
471.16116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95369	0.7
61.53830	0.6
69.03346	0.7
69.51643	2.0
69.52068	3.0
74.02448	0.9
85.02924	1.2
86.09702	0.9
87.11793	0.8
93.38809	0.7
96.57205	0.8
100.44940	0.7
115.05391	0.9
117.05734	1.1
117.07046	0.9
118.06548	18.1
132.08115	5.4
139.03911	0.9
142.06540	1.7
143.07301	2.5
144.08090	10.3
146.06013	57.9
147.04451	1.1
159.09195	7.0
160.07480	0.8
170.06021	4.9
188.07071	100.0
205.09729	45.5
206.10260	0.9
233.01402	0.8
263.13849	1.1
294.36255	0.8
309.14523	1.2
377.66281	0.7
414.16620	0.7
492.07297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74147	2.0
55.05502	5.5
57.48392	1.9
61.87327	1.7
67.05526	10.3
69.07069	10.7
69.77753	9.4
79.05476	6.9
81.07045	12.0
82.29706	2.1
83.04987	2.7
83.08596	2.6
84.55778	1.7
85.02882	3.5
91.05480	9.2
93.07043	10.9
95.04941	4.1
95.08616	10.3
105.07048	12.7
107.04980	2.3
107.08595	7.2
109.06520	5.2
109.10168	3.3
117.06953	4.4
117.96356	2.1
119.08574	9.1
121.06522	3.4
121.10133	7.4
123.08127	2.7
123.11719	1.8
131.08543	6.2
133.10161	10.1
135.08012	2.5
135.11644	3.9
145.10179	5.0
147.08008	2.4
147.11681	7.5
149.09561	2.7
151.11142	3.6
151.98225	1.9
159.11685	4.7
161.09587	3.5
161.13170	2.4
173.13281	3.3
175.11130	2.8
182.93071	1.8
219.13815	3.5
257.16626	2.1
257.19046	7.2
275.20081	79.4
293.21124	100.0
377.65793	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01860	1.5
55.05508	7.5
57.03434	1.2
59.04967	1.6
61.02921	2.4
67.05495	5.6
69.03426	5.1
69.07056	4.7
70.04087	1.3
70.06584	2.1
71.04996	26.1
71.06609	2.9
71.06942	1.5
73.02907	1.4
79.05479	5.7
81.03407	3.5
81.07056	8.0
83.04984	7.7
83.08616	2.5
84.04506	2.4
85.02912	13.7
85.06550	14.3
86.09709	2.0
87.04441	1.2
90.56702	1.2
91.03960	1.5
91.05473	3.4
93.07053	11.1
95.04968	12.8
95.08611	22.6
97.02889	5.2
97.06534	22.5
98.97523	1.5
99.04458	97.7
99.08066	2.6
100.04797	1.3
100.11225	1.9
101.06031	20.5
105.07046	17.9
107.08594	11.0
109.02878	1.6
109.06553	6.0
109.10162	10.0
111.08105	3.5
113.09597	1.6
119.04914	1.5
119.08605	20.9
121.02821	1.5
121.10151	20.5
123.08046	2.3
123.11698	3.6
127.03904	3.2
129.06963	2.8
130.50842	1.3
131.08609	2.1
133.10124	17.4
135.08028	3.7
135.11676	2.7
137.09615	10.1
139.11188	2.3
141.09109	2.0
142.07784	2.3
143.08553	10.1
145.04961	2.1
145.10086	7.0
147.04419	3.4
147.10513	2.2
147.11691	39.1
149.09622	3.9
153.09163	6.9
155.10670	100.0
156.09357	2.3
157.10104	11.6
159.11687	10.7
161.09589	2.0
161.13341	2.3
165.09178	1.6
165.12787	4.0
167.10706	12.3
169.10136	2.1
170.10977	1.8
171.11732	5.6
173.13304	4.7
175.11151	2.2
175.14854	21.4
177.16339	1.9
183.11737	7.5
184.12434	5.1
185.04501	1.4
187.11153	1.3
187.14848	4.1
193.15884	10.7
195.13852	2.2
197.13223	7.7
199.14824	42.8
201.12810	3.7
217.15875	6.7
219.13910	1.7
229.19551	1.6
239.17940	23.8
257.19019	30.6
257.21555	1.8
275.20087	24.5
293.21143	13.4
334.00314	1.6
472.22400	75.1
472.28149	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	473.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	8.4
53.03935	7.3
55.05487	2.9
57.03421	6.0
61.02919	4.6
67.05490	2.9
69.03432	61.5
70.06589	7.9
71.01342	4.4
71.04977	3.3
71.28020	4.8
73.02898	3.8
79.05482	4.1
81.03429	17.4
81.07052	3.9
84.08131	7.0
85.02910	61.8
86.09711	17.7
91.05488	49.0
95.04981	5.7
97.02900	55.0
99.00818	48.4
99.04462	15.8
102.05602	2.7
105.06980	2.4
107.04962	100.0
109.02889	77.7
115.05513	2.5
117.01839	5.6
119.04950	74.5
120.05759	4.1
121.02865	5.2
127.03926	70.1
127.11201	8.0
127.12222	3.1
128.11528	3.0
131.04958	4.4
135.04434	2.7
145.04965	16.8
145.06456	9.5
147.04419	58.0
148.78253	2.1
163.03946	6.4
167.08582	4.8
168.72229	2.4
177.07045	5.4
191.08543	5.2
195.02872	4.8
195.08037	6.6
199.18027	3.3
209.09648	6.2
212.08231	6.3
213.09129	81.1
219.08069	7.6
223.07538	16.9
225.03957	9.1
225.09111	3.8
229.11937	2.4
237.09106	34.4
239.10727	2.8
243.05042	10.7
245.18617	2.7
247.07605	18.1
261.06027	15.2
265.08569	29.1
271.66537	2.0
283.09653	9.2
293.08109	16.4
311.09109	40.4
329.10229	2.5
361.02148	2.6
473.21399	4.4
473.31183	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	473.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	5.3
53.03953	3.6
55.01869	3.9
55.05495	1.6
57.03460	3.7
61.02924	4.2
65.03938	2.4
66.68045	1.5
67.05497	2.9
69.03086	2.8
69.03436	54.5
69.07064	2.3
69.84673	3.0
69.85075	6.7
70.06599	11.4
71.01365	4.3
71.04996	4.3
71.27033	1.8
72.08163	4.8
79.05495	3.6
81.03422	17.2
81.07066	2.6
84.04549	2.5
84.08147	21.6
85.02911	54.8
86.09708	13.5
87.04425	1.9
88.31672	1.6
91.05486	27.4
93.07030	2.8
95.04942	5.4
95.08617	2.2
97.02901	42.0
97.06466	1.7
99.00204	2.6
99.00822	40.6
99.04446	9.2
105.07022	3.6
107.04962	100.0
109.02889	61.8
117.01886	4.1
119.04948	41.4
119.08640	1.8
120.05772	2.7
121.02882	2.7
121.10120	2.1
123.04402	2.3
124.55569	1.6
126.12030	1.9
127.03926	55.3
127.12300	6.5
130.04990	2.5
131.04897	2.1
133.10112	2.0
140.78235	1.8
141.53281	1.8
145.04996	16.0
145.06509	10.6
147.04440	17.1
151.07550	2.8
161.06009	3.7
163.03943	1.9
167.08554	2.6
171.16434	1.7
173.05957	2.4
189.05479	2.6
191.08551	5.6
194.07275	3.5
195.02956	4.1
195.08096	3.1
199.14902	2.0
209.04460	8.7
209.09642	6.3
212.08302	7.3
213.09116	49.0
219.08081	7.6
223.07619	14.2
225.03929	7.2
225.09254	2.3
229.15442	5.1
237.09138	31.6
243.04977	9.0
247.07523	16.6
251.07042	4.1
261.06073	13.5
265.08578	28.0
283.09671	5.9
293.08063	16.2
301.22156	1.9
311.09076	32.8
473.09354	3.3
473.21118	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	473.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	5.7
53.03933	3.4
54.57154	1.8
57.03422	4.1
61.02924	4.8
69.03434	52.9
69.07063	2.9
69.48779	13.8
70.06586	6.7
71.01363	2.6
71.04982	4.4
71.50491	2.0
73.33964	1.6
78.64838	2.0
79.05504	4.7
81.03416	15.9
81.07044	3.6
84.08143	15.8
85.02910	56.0
86.09730	9.6
91.05491	31.5
93.07034	2.1
94.95636	2.0
95.04974	9.2
97.02296	3.6
97.02898	44.1
99.00822	45.8
99.04470	10.8
103.05468	2.0
105.07029	2.5
107.04962	100.0
109.02885	70.3
109.06530	2.7
117.01855	4.0
119.04952	49.4
120.08092	2.1
121.02847	2.7
121.10144	2.5
127.02982	3.0
127.03925	56.2
127.12312	3.9
131.04889	2.2
133.10118	2.0
133.11433	1.7
135.07980	2.2
144.05704	2.3
145.05002	13.5
145.06464	9.3
147.04414	12.0
153.42111	2.2
161.05974	2.8
167.08514	2.6
181.10104	2.2
183.03105	2.2
191.08592	4.5
194.07225	3.5
195.02924	7.0
195.08115	4.5
209.04576	4.3
209.09555	5.3
212.08293	8.4
213.09111	48.0
219.08066	9.5
223.07527	15.1
225.03970	7.4
225.09113	3.2
229.15706	2.4
237.07036	2.7
237.09143	35.1
243.04973	10.3
247.07579	15.5
258.04886	2.0
261.06058	12.9
265.08594	31.5
275.20139	2.6
283.09595	7.1
293.08090	16.8
311.09067	43.4
378.37726	2.3
473.21353	7.3
473.31992	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05514	1.7
57.03428	3.4
57.07079	76.8
58.06590	5.3
59.06130	2.6
61.02913	2.7
63.43003	1.4
67.05510	6.7
69.03432	28.9
69.07053	1.2
69.96258	1.3
71.04973	3.9
71.08623	1.2
71.52304	1.8
79.05486	2.5
81.03421	45.9
81.07048	2.2
83.08627	1.8
85.02908	21.0
89.06033	1.2
91.05456	2.5
93.07031	2.8
97.02897	39.2
97.03525	2.5
99.04461	6.9
100.27798	1.2
105.07016	1.9
107.08575	2.0
108.18309	1.3
109.02892	25.3
109.10167	7.5
119.08571	1.6
121.02868	2.2
127.03925	34.0
127.11202	52.2
127.12148	2.5
128.06152	1.5
139.03856	2.8
145.04985	14.8
145.12238	3.8
149.02414	7.6
167.03394	16.1
185.04463	100.0
209.04459	2.0
227.05482	3.1
251.05563	1.4
271.15405	60.8
275.05472	2.4
289.16507	7.5
293.06854	1.3
317.75272	1.4
416.39771	1.3
473.28952	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	473.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01462	0.3
55.05517	0.3
56.96553	0.5
57.03445	0.5
58.06610	3.2
61.02932	1.4
69.03436	2.6
70.06597	1.3
70.14024	1.1
72.08133	0.4
79.19752	0.3
81.03419	1.3
81.20847	0.3
84.08153	100.0
85.02908	4.5
86.09732	0.4
87.04491	0.5
91.03981	0.5
91.05487	0.8
96.08144	0.3
96.78122	0.3
97.02905	2.2
98.97598	1.0
99.04477	0.5
103.69375	0.3
109.02895	0.5
119.04935	1.6
123.04449	0.7
127.03924	0.9
127.12331	42.6
131.04897	0.3
139.03922	2.9
145.05054	0.3
145.06474	0.5
147.04414	5.6
149.06097	0.3
153.59023	0.3
159.04462	0.5
167.03423	0.4
167.07112	0.8
173.06078	0.5
177.05525	1.0
179.00076	0.3
179.07054	0.3
191.07149	0.4
195.06593	1.8
197.01271	0.4
197.04480	0.9
201.05463	0.7
208.09813	0.4
209.08099	0.7
219.06529	1.5
221.08118	0.6
225.07671	0.5
226.10703	2.1
227.02153	0.4
237.07617	6.6
252.08774	0.4
257.03363	0.3
266.10138	0.4
268.11826	5.6
282.13593	0.8
294.13455	0.9
311.16080	1.3
347.04382	0.4
359.04391	0.4
363.69141	0.3
365.05548	0.5
407.06772	0.4
430.17194	0.4
473.21381	45.8
474.21722	0.7
493.08456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46270	0.3
53.03940	0.8
55.01876	1.1
57.03440	1.4
61.02935	3.0
67.01875	0.8
67.05498	0.4
69.03440	5.3
69.46221	2.0
70.06599	6.2
70.87201	0.3
71.05004	0.7
73.02922	1.1
79.26653	0.3
81.03426	2.7
83.01352	1.3
85.02915	24.3
86.09714	0.6
87.04465	1.1
91.03965	1.8
95.04979	1.2
97.02903	7.1
98.20665	0.4
99.04461	1.2
105.03391	0.5
109.02882	2.0
115.03941	0.4
116.07107	13.4
123.04425	2.5
127.03932	4.3
133.02850	0.6
145.04967	7.9
151.03917	5.2
161.02367	0.5
163.06111	0.4
169.04991	9.4
177.05461	0.4
179.03416	13.5
197.04474	100.0
198.04778	0.8
207.04776	0.3
359.09763	15.7
463.32492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
54.18257	0.5
55.01881	1.5
55.05526	0.8
56.05038	6.5
57.03452	1.8
57.98626	0.6
61.02922	5.5
67.01894	0.7
67.05542	1.9
68.05046	1.5
68.99823	0.7
69.03433	15.3
70.06588	3.4
70.76201	1.0
70.76546	0.9
71.01382	1.3
71.05015	1.8
72.08170	0.9
73.02940	1.6
74.02467	1.4
79.05517	0.6
81.03419	6.5
82.06573	3.7
83.01368	1.1
83.07411	0.6
84.08149	8.5
85.02910	29.9
86.09747	2.2
87.04510	2.7
91.04003	2.0
95.04988	1.1
97.02892	11.5
99.04473	3.0
107.04989	0.9
109.02877	3.5
109.06570	1.9
113.02399	1.2
119.05067	0.7
120.08150	1.2
121.06525	1.5
123.04488	1.1
123.66566	0.6
124.07609	9.1
125.05978	0.6
126.09200	2.4
127.03922	6.3
128.07091	7.0
135.08095	1.1
136.07574	1.0
139.03981	1.4
139.07649	0.9
143.03380	0.7
145.04956	3.5
145.06520	2.3
147.04453	2.1
149.06035	1.0
151.03963	1.9
155.03400	13.4
161.06053	1.6
162.09184	0.8
163.03885	3.1
163.07529	4.2
164.07094	0.7
165.05623	0.8
166.08812	0.5
167.03421	1.7
169.01370	1.0
169.05008	5.2
170.08160	0.6
173.05960	3.4
177.05524	1.0
177.09386	0.7
179.03406	6.7
179.07092	0.7
181.04967	6.3
181.82153	0.6
182.08232	1.4
183.02945	1.1
183.06532	0.7
185.04491	2.2
189.05493	1.4
190.08685	0.9
191.06985	7.7
193.25883	0.6
195.06577	0.8
197.04471	32.6
205.05006	2.1
205.08635	1.4
206.08133	2.5
207.06572	2.8
208.09732	1.7
209.04488	0.9
209.08087	6.8
211.05978	1.1
215.07043	1.2
223.06021	5.9
224.09180	15.8
226.10759	7.8
226.12811	1.1
232.09770	0.7
233.08061	4.3
235.06052	0.8
237.07614	1.7
248.09232	1.3
249.07742	1.1
250.10817	1.4
251.09148	17.8
259.06097	0.7
266.10245	9.7
266.12888	0.7
268.11798	14.3
270.09735	16.9
276.08765	0.7
294.09686	1.1
312.10797	84.8
312.14136	3.9
329.07190	0.7
354.12173	0.7
393.83356	0.7
430.17157	3.1
474.15964	100.0
475.16537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
58.86980	0.4
61.02925	0.5
65.68687	0.5
69.03432	2.6
69.07074	0.6
70.06595	1.8
71.32220	0.4
71.51504	0.7
72.08167	1.0
84.04510	0.6
84.08156	0.9
85.02914	4.7
86.09708	100.0
86.91621	0.5
87.09995	0.4
97.02892	3.3
101.00909	0.5
103.76895	0.5
116.07103	0.5
119.01937	0.8
123.05560	1.6
127.03947	3.0
129.10265	0.5
131.01901	0.5
132.10210	89.8
142.35721	0.4
143.01889	0.8
144.02101	0.6
145.03705	0.5
145.04930	2.3
148.06078	1.1
153.01773	0.6
155.01910	0.9
156.02106	0.4
161.03000	0.9
163.02696	0.6
163.03928	2.3
164.86011	0.4
173.02960	0.7
174.03149	0.7
181.04958	1.1
183.55197	0.4
185.03143	0.5
186.03114	0.8
203.04045	1.3
204.04233	1.8
207.55530	0.4
209.86775	0.5
211.00905	0.6
212.01131	0.8
212.04065	1.2
221.05164	0.6
222.05293	1.5
229.01666	0.5
230.05005	1.0
244.03893	0.6
245.05034	0.8
246.05302	1.0
248.03165	0.7
256.03534	0.6
258.05362	0.5
268.51465	0.6
273.58240	0.9
286.04657	0.9
303.05521	1.8
304.05829	4.4
312.02512	0.5
322.06851	1.4
330.03714	0.9
341.11282	0.6
352.41077	0.5
356.05078	1.5
356.08878	2.8
370.88849	0.5
373.54205	0.5
374.05826	0.9
465.59976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03427	0.4
65.03934	0.6
67.05515	1.4
69.03436	2.3
69.07059	0.6
69.31578	1.6
69.31985	0.7
70.06611	0.6
71.04996	0.4
72.11971	0.3
76.02212	0.4
79.05495	4.5
81.03430	0.4
81.07072	0.9
82.39626	0.3
84.04521	0.3
84.08167	0.4
85.02918	0.8
85.06549	1.5
85.90694	0.3
91.05489	4.3
93.07053	2.5
95.04974	4.6
95.08619	4.1
97.06533	0.5
99.08080	0.6
104.96294	0.3
105.07036	3.9
107.04966	0.6
107.08601	13.4
109.06536	2.3
109.10169	2.5
115.05507	1.5
117.07031	4.6
119.06103	0.5
119.08575	0.5
121.06529	0.7
121.10136	1.0
123.08079	0.4
131.08569	1.9
133.10132	1.4
135.08064	100.0
136.08415	0.6
145.10133	0.7
147.04430	0.8
147.08131	0.3
147.11736	0.5
149.09650	2.3
149.13321	0.6
155.10655	0.3
158.10944	0.5
161.09663	0.3
163.11169	0.6
164.07071	0.4
173.13283	3.7
191.14322	73.2
192.14677	0.7
257.10730	0.3
289.98975	0.3
456.24115	0.3
474.23688	1.5
475.26697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05508	0.7
57.69102	0.4
58.68992	0.4
61.02944	0.5
67.05508	2.2
69.03424	2.5
69.07058	0.9
70.06595	1.1
70.80499	1.2
71.04995	0.6
78.39409	0.5
79.05492	4.3
81.03424	0.6
81.07049	1.7
83.04995	0.5
84.04525	0.5
84.08140	0.5
85.02901	1.1
85.06538	1.8
86.09708	0.9
91.05487	4.9
93.07038	2.8
95.04978	5.3
95.08620	4.8
97.02874	0.6
97.06519	0.9
99.04426	1.2
99.08078	0.8
105.07021	3.9
107.08598	13.2
109.06521	2.7
109.10144	2.5
111.41390	0.5
115.05446	1.5
117.07037	4.4
119.08576	1.2
121.06496	0.6
121.10132	1.4
123.08092	0.5
129.10187	0.6
129.51741	0.6
131.08575	1.7
133.10107	2.1
135.08057	100.0
145.10123	1.3
147.04344	1.0
147.11639	0.8
149.09613	2.1
152.86354	0.4
155.10643	0.6
156.11031	0.6
159.11800	0.7
164.07063	0.9
173.13283	3.3
182.15453	0.5
191.14313	78.0
192.14732	0.5
474.24387	1.6
475.26639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22897	0.4
51.02379	0.6
52.36058	0.4
53.00315	0.5
55.01854	0.4
55.93706	0.4
57.02117	0.4
63.75382	0.4
65.03969	0.5
65.46577	0.4
66.45601	0.4
68.99798	2.8
69.03435	0.6
70.06586	0.4
70.41405	1.2
71.01373	0.6
72.08137	0.6
79.01859	3.7
81.03400	2.0
84.04521	0.6
84.08117	0.5
85.02892	2.7
86.09701	1.1
97.02885	1.1
107.01329	0.9
109.02885	5.0
111.00800	3.9
113.02360	0.5
116.33679	0.4
121.99606	0.5
123.04430	6.2
125.02392	2.4
127.03925	18.9
131.91493	0.4
133.02858	1.3
133.87444	0.5
139.03915	6.9
143.03398	4.7
147.04427	3.2
151.03914	20.4
151.05145	1.0
152.27237	0.4
153.01843	100.0
153.02878	4.9
155.03404	24.9
157.02882	0.5
157.06514	1.1
159.04440	1.2
163.03949	0.5
167.03308	0.7
169.04977	0.5
171.04521	0.5
175.03915	7.1
177.05505	1.6
179.03415	4.9
185.06027	0.7
199.04002	1.0
201.05467	0.9
203.03419	8.8
212.95332	0.5
213.05534	2.7
217.05023	0.6
219.97208	0.4
227.03221	0.6
241.04977	1.9
245.01207	0.5
259.06033	0.6
269.04532	2.0
272.66519	0.4
287.05527	29.0
303.05130	0.5
305.06622	4.1
321.06299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78255	0.4
53.03934	1.5
55.01865	1.0
55.05516	5.6
57.03439	7.8
57.07079	16.7
59.04609	0.4
59.04998	0.8
61.02931	19.8
65.03928	1.1
67.05511	7.9
69.03437	8.8
69.07073	6.0
71.01355	1.1
71.04982	1.5
71.08638	12.9
71.52480	0.8
73.02925	9.7
75.04459	0.6
79.05492	2.5
79.87595	0.5
81.03416	6.1
81.07063	9.2
83.04970	1.6
83.08624	7.4
85.02910	21.0
85.10182	7.2
87.04459	1.1
88.57217	0.4
89.06078	0.8
91.03961	12.8
91.04534	0.8
91.05478	8.3
93.07043	1.5
95.04989	0.8
95.08612	12.7
97.02901	18.3
97.03525	0.9
97.10165	2.9
99.04455	4.1
101.02379	3.8
103.03958	2.4
105.07028	1.4
107.04938	0.6
107.08588	1.4
109.02882	3.9
109.06522	0.5
109.10165	5.6
111.04466	0.8
111.11730	1.0
115.03938	1.6
117.05504	1.2
119.04952	18.8
119.08599	0.9
121.10134	1.1
123.08021	0.8
123.11707	2.2
125.13318	0.6
127.03924	8.1
129.05481	2.0
129.06964	0.7
131.08511	0.7
137.13264	1.2
139.11194	1.4
139.14810	0.6
145.04950	3.1
147.04419	100.0
148.04680	0.6
159.06522	0.7
165.05492	2.1
181.12318	1.1
183.06584	1.9
183.11751	0.6
197.13420	0.6
201.07593	1.8
221.22682	0.5
239.23709	13.4
257.24829	1.6
282.83414	0.5
311.25763	0.6
313.27383	46.7
341.26935	1.2
355.28491	0.8
355.59973	0.5
383.27411	0.5
457.31580	2.5
475.32306	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
57.03428	4.2
58.09734	2.8
62.33835	3.3
65.22429	3.1
69.03416	11.7
70.06591	6.9
71.04974	4.6
71.51639	4.3
72.08135	4.9
74.02435	5.2
81.03413	4.4
81.07052	2.9
84.04514	4.9
84.08127	3.8
85.02911	35.0
86.09691	7.8
88.04004	4.2
93.07031	5.7
95.01324	18.0
95.04998	3.8
96.95655	3.4
97.02887	16.1
102.05501	3.0
105.07027	4.7
107.04974	6.3
109.02858	5.1
116.07118	5.8
117.06976	3.6
119.04937	8.9
121.02876	3.7
121.06541	6.8
123.04433	29.1
125.05912	5.3
127.03897	4.9
129.71022	3.3
131.04974	10.4
133.06502	25.1
134.04491	13.6
135.04430	5.3
137.35818	4.0
141.06868	3.8
144.71738	3.7
145.06482	33.4
147.04427	31.1
147.08049	4.4
149.05989	18.4
152.07005	3.9
155.06131	3.2
157.06503	5.5
159.04419	6.2
159.08002	5.8
161.05977	27.4
163.03899	14.6
163.07491	3.3
165.00966	3.2
165.05464	9.0
167.07037	6.1
169.06468	5.8
171.04315	7.7
171.08034	3.2
173.05992	59.3
175.03920	21.6
177.05475	21.4
181.09772	3.8
185.06015	10.9
187.07526	10.0
189.05481	14.7
191.03336	6.6
191.07079	16.4
193.04976	7.0
193.08595	4.4
195.06548	9.6
197.05997	21.9
199.07512	3.6
201.05511	19.5
207.01105	12.9
213.07571	8.6
215.07051	35.7
219.06522	66.0
233.08067	30.0
237.07581	24.0
243.06616	33.4
245.78658	3.1
261.07596	100.0
279.08630	79.4
296.05893	33.0
297.09674	26.6
314.06763	7.9
340.92575	3.1
403.20062	3.3
476.12378	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	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.96931	0.4
55.01870	1.1
56.05022	1.3
57.03418	1.3
59.50041	0.4
61.02934	2.9
63.77940	0.4
65.16089	0.4
66.57117	0.3
67.01859	0.5
69.03088	0.5
69.03434	7.8
70.06569	1.3
71.01904	0.9
71.04981	0.8
71.64804	0.3
72.08144	0.8
72.16995	0.4
72.34441	0.4
73.02905	1.2
76.02213	0.6
76.44736	0.4
81.03425	3.3
81.88815	0.4
84.04497	1.3
85.02910	20.2
86.09704	2.8
87.04466	1.6
91.03941	1.2
91.05466	0.9
97.02893	6.7
99.04447	1.7
101.87767	0.4
102.05550	2.2
104.07111	1.4
109.02915	2.6
116.07116	0.4
119.04943	1.6
121.10154	0.4
127.03912	3.9
137.05978	1.2
145.04976	4.1
147.04410	5.4
151.03925	0.9
152.25967	0.4
163.03941	1.0
165.05562	1.9
169.04938	1.9
175.03885	2.5
177.05507	0.8
180.96402	0.4
183.06526	1.2
191.03262	0.5
193.04976	15.2
193.06752	0.8
195.02821	0.5
197.04466	2.2
209.04497	0.5
211.06018	100.0
212.06447	0.8
247.06189	0.5
261.07773	0.4
270.06116	0.6
279.08572	0.5
297.09647	1.1
314.08716	4.1
373.11322	24.4
458.16934	0.5
476.13419	1.1
476.19189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01886	0.4
55.05515	7.4
57.03441	7.1
57.07076	0.6
59.28087	0.2
62.06094	0.6
65.03949	1.0
67.05508	28.1
67.32800	0.2
68.05843	0.3
69.03434	0.3
69.07072	5.9
70.01728	0.2
71.04993	0.7
79.05496	13.7
81.03429	0.4
81.07059	23.8
82.07424	0.4
83.04990	0.8
83.08626	2.4
85.06553	0.7
89.76578	0.2
91.05484	6.6
93.07049	15.3
93.79709	0.2
95.04976	1.1
95.08611	18.9
97.06536	1.0
97.10182	1.1
98.06063	0.6
98.21638	0.4
98.98455	0.4
99.08106	0.2
105.07036	3.8
105.07696	0.3
107.08604	6.9
108.94147	0.2
109.06523	0.7
109.10162	5.9
111.08102	0.6
117.07025	1.6
119.08582	3.1
121.10144	5.1
122.10509	0.2
123.08061	0.3
123.11738	1.6
124.01598	0.2
125.09662	0.4
129.07021	0.3
131.08572	1.8
133.10153	2.2
135.11707	3.0
137.09578	0.2
137.13263	0.4
145.10147	1.3
147.11684	1.1
149.09628	0.3
149.13287	1.3
159.11708	0.8
161.13232	1.0
163.11282	0.3
163.14871	0.3
171.11670	0.3
173.13284	0.4
177.12796	0.2
187.14902	0.3
198.05289	0.4
203.28952	0.2
216.06310	0.9
243.21080	0.3
261.22189	0.6
304.26352	2.3
335.25803	100.0
336.26257	1.4
476.30380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.01882	0.8
55.05527	7.7
57.03440	3.7
62.06100	35.4
67.05515	31.5
69.07076	8.7
69.85166	1.0
69.93826	3.6
70.25644	0.9
71.04981	1.1
74.73769	1.0
79.05502	17.6
79.05921	1.6
81.03444	2.7
81.07067	23.8
83.08652	4.2
84.68391	0.9
90.56538	0.9
91.05489	8.5
93.07057	22.4
95.04988	2.6
95.08624	22.3
97.06552	1.7
97.10194	1.6
98.06097	2.9
98.98489	8.0
102.52010	0.8
105.07040	6.8
107.04946	1.4
107.08605	12.1
109.06504	1.1
109.10162	6.5
110.31431	1.0
111.08118	1.0
111.51248	0.8
117.07049	2.7
119.08572	4.8
121.10156	8.2
123.11705	2.8
124.01630	2.0
131.08592	3.5
133.10144	4.4
133.70764	1.0
135.11714	5.5
135.12610	0.9
142.02687	1.7
145.10179	2.8
147.11707	2.9
149.13269	2.5
155.01050	3.3
159.11739	2.1
161.13289	2.5
173.02071	1.3
173.13310	1.8
175.14861	1.1
187.14903	1.2
198.05342	2.4
201.16898	0.8
212.55121	0.9
216.06316	4.2
243.21120	2.6
261.22189	6.6
304.26370	21.1
317.24802	2.8
335.25851	100.0
336.26105	1.1
415.22464	1.8
458.26837	7.5
458.39804	1.7
476.27490	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	477.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01876	4.0
57.03444	5.0
61.02930	4.7
68.99828	1.1
69.03081	1.3
69.03429	10.9
69.80804	3.5
70.06590	2.0
71.01356	2.1
71.04985	1.4
72.08163	1.8
73.02920	3.3
80.56555	0.8
81.03417	4.8
81.07031	0.9
84.04499	1.3
84.08152	1.8
85.02908	32.9
86.09708	5.6
87.04488	1.1
87.10043	1.0
87.27126	0.8
91.03943	1.9
95.04992	0.9
97.02892	8.3
98.20844	1.4
99.04452	2.1
100.07642	0.9
106.49483	0.8
109.02897	6.6
121.02879	1.4
123.00735	0.8
123.04430	4.3
125.02355	1.3
127.03948	5.1
130.04956	1.3
133.02856	2.0
137.02347	2.8
145.04971	2.1
147.04504	1.6
149.02345	3.7
151.03912	4.0
153.01810	1.1
161.02295	1.0
163.03938	1.9
165.01865	3.6
167.03416	14.4
169.04965	4.6
175.03893	1.5
177.01744	0.9
179.03398	8.4
181.05058	1.3
183.02892	2.8
185.04465	5.1
187.03978	1.0
189.01801	2.6
191.03421	1.8
193.01352	20.1
193.03165	1.0
193.05058	1.5
195.02896	17.1
196.38947	0.9
197.04465	23.3
203.03397	3.5
205.01321	1.0
205.04932	2.0
207.02870	7.6
209.04437	4.6
211.02393	74.9
219.02933	3.1
221.04472	13.6
223.02394	35.7
223.06017	3.6
225.03957	45.9
229.03380	1.1
233.04491	3.4
235.06024	1.7
237.03995	5.1
239.05540	2.8
241.03442	1.2
243.02904	1.0
247.05913	1.1
249.03979	12.5
251.05534	7.8
253.03397	1.1
261.04074	5.6
267.05017	54.0
279.05005	22.3
297.06070	37.2
297.09457	1.6
315.07114	100.0
346.04041	1.1
429.01511	1.0
459.11148	1.2
459.16904	2.7
460.74545	0.9
477.12219	3.1
477.18137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51322	0.2
55.01890	0.2
57.03410	0.3
60.60224	0.2
61.02880	0.3
63.36053	0.2
65.03928	1.3
67.05495	0.5
69.03424	0.9
69.07065	0.3
70.06589	0.6
71.04950	0.3
71.52780	0.2
72.20890	0.3
79.05482	0.6
81.03427	0.5
81.07077	0.3
84.04499	0.3
85.02908	0.7
86.09695	0.5
91.05484	10.5
93.07059	0.4
95.04988	0.6
95.08608	0.5
95.11980	0.3
97.02885	0.3
97.10189	0.4
106.47707	0.2
107.04985	0.6
109.02903	0.7
109.10149	0.4
119.04950	23.0
120.08153	0.4
121.06487	0.3
123.04440	2.2
127.03954	0.3
131.08607	0.3
133.06384	0.3
137.05962	0.4
145.06497	0.5
147.04417	100.0
148.04755	0.5
151.03940	2.8
157.06311	0.3
159.04532	0.3
163.03966	1.2
165.05501	1.6
169.05026	1.3
175.03946	0.8
181.04990	1.5
187.03996	0.4
189.05484	0.7
193.04974	13.8
205.04930	0.3
207.06497	0.4
211.06050	4.1
213.05519	0.5
231.06587	0.6
235.05934	1.3
247.06050	1.2
259.06079	1.0
269.07986	0.3
277.07098	1.0
287.05511	0.9
295.08374	0.5
297.07678	0.6
309.09702	2.0
311.08978	0.5
337.17252	0.2
339.08618	2.3
385.23846	0.5
459.27133	0.7
477.27963	0.3
491.78433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58439	0.2
53.03933	0.3
54.78670	0.2
55.01863	0.4
55.05511	0.5
57.03421	0.6
59.99889	0.2
61.02930	0.2
65.03941	1.8
67.05492	0.6
68.99802	0.5
69.03421	0.6
70.06578	0.3
70.78101	0.5
75.16447	0.2
79.05488	0.4
81.03434	0.3
81.07076	0.4
83.04978	0.2
85.02441	0.4
85.02911	5.4
87.04464	0.4
91.05485	14.8
93.07045	0.6
95.04940	0.3
95.08601	0.3
99.04422	0.4
103.03931	0.3
105.03400	0.5
105.07027	0.8
107.04977	0.4
107.08568	0.4
109.02883	0.4
109.10168	0.4
111.04435	0.3
113.02370	2.9
113.07150	0.2
117.07020	0.4
119.04949	29.3
119.08544	0.3
121.02863	0.7
123.04427	0.9
123.05248	0.2
127.03917	0.4
129.60719	0.2
131.03436	1.7
133.06447	0.2
135.08003	0.3
139.03912	0.6
145.02892	0.2
145.04990	0.4
145.06474	0.3
147.04414	100.0
148.04813	0.4
151.03926	1.6
153.01843	1.0
155.03407	0.4
159.04393	0.4
163.03940	0.8
165.01819	0.4
165.05502	0.7
169.04973	1.0
171.04367	0.3
173.04504	2.3
175.03969	0.4
181.04935	0.8
183.02925	0.3
185.06033	0.3
187.03853	0.4
189.05504	0.6
191.96315	0.2
193.04968	7.3
195.02855	0.3
205.04993	0.3
207.06541	0.4
211.06015	4.4
213.05489	0.9
227.07091	0.3
231.06639	0.5
235.06050	1.0
247.06070	0.9
258.05286	0.4
259.06085	1.0
269.08325	0.4
273.07733	0.5
277.07138	0.7
287.05515	15.8
295.08191	0.5
297.07669	0.6
309.09818	0.6
311.09073	0.6
325.07053	0.4
339.08786	1.8
378.48581	0.3
385.23718	0.4
417.66705	0.2
459.27274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03439	5.9
57.93139	1.0
61.02926	1.0
69.03426	4.5
70.96284	1.9
70.96660	1.7
71.04993	47.3
73.02927	1.3
75.04483	1.4
79.09933	0.9
80.68578	0.9
81.03401	1.3
83.04985	1.9
85.02908	55.7
86.09731	1.2
87.04466	1.2
92.99928	1.1
97.02901	3.3
106.52377	0.9
111.04449	1.6
121.02856	1.0
123.04456	6.5
127.03934	3.8
129.05481	19.0
135.26785	0.9
147.06526	8.0
151.03915	14.7
152.49028	0.9
163.03934	1.6
169.04964	100.0
175.04018	1.3
179.03340	1.3
181.04994	6.0
185.04370	0.9
193.04945	12.3
197.04459	1.1
207.06555	3.0
211.02490	2.2
211.06009	12.9
217.04892	1.1
219.06599	1.6
221.04469	1.5
229.59113	0.9
235.06003	12.9
247.06026	5.3
259.05988	2.9
261.07599	4.0
265.07050	2.6
267.05005	1.4
277.07047	5.0
279.08685	2.0
294.51089	0.9
295.08057	4.1
313.09201	5.1
315.07156	2.8
325.07639	1.0
331.10187	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03174	0.7
53.03936	3.1
55.01881	3.0
55.05515	22.8
56.05851	1.5
57.03440	9.0
57.07077	1.4
59.04996	1.4
59.22597	0.5
59.79445	0.6
65.03932	2.5
67.05508	42.5
68.05836	7.4
69.03437	1.3
69.07070	11.6
70.07400	1.9
71.04999	3.8
71.52515	1.0
77.03956	0.7
79.05498	27.3
80.05814	4.7
81.03411	3.5
81.07061	35.9
82.07394	6.8
83.04980	2.6
83.08620	9.7
84.08958	1.3
85.06545	1.7
85.51942	0.6
87.55650	0.6
91.05489	16.6
92.05820	2.7
93.06480	1.3
93.07047	22.8
94.07375	5.1
95.04971	4.0
95.08614	21.4
96.08932	6.3
97.02846	1.2
97.06525	2.1
97.10173	10.9
98.06045	0.6
103.05476	2.7
105.03393	0.7
105.06393	1.1
105.07039	13.0
106.07375	1.7
107.04950	3.0
107.08597	14.4
108.08926	2.4
109.06520	2.8
109.10163	7.9
110.10490	2.7
111.08085	2.1
115.05453	2.0
117.07034	12.3
119.08579	8.7
120.08904	1.5
121.06510	2.8
121.10141	6.0
122.10489	2.2
123.11694	2.5
124.12051	0.9
125.09624	10.4
128.06235	1.2
129.07010	5.9
131.04962	1.0
131.08580	9.2
132.08871	0.8
133.06497	1.7
133.10138	4.0
134.10410	1.3
135.08040	2.8
135.11729	3.7
136.12013	1.4
139.26498	0.7
141.07001	2.4
143.08560	3.4
145.06519	3.4
145.10138	5.0
146.10394	0.8
147.08040	1.7
147.11690	1.8
148.12047	0.7
149.09630	1.4
149.13275	2.5
153.09164	1.7
153.12766	1.0
155.08543	3.4
157.06496	1.7
157.10158	2.1
159.08133	1.3
159.11732	2.3
161.13210	0.8
163.11189	2.0
167.08572	1.3
169.10133	1.8
171.08052	1.5
171.10216	0.8
171.11717	2.0
173.09679	1.8
173.13281	0.7
181.10132	1.3
183.08090	0.7
183.11774	0.8
185.13258	0.9
187.11147	1.1
187.13364	0.8
187.14850	2.5
189.11230	6.0
189.12775	0.9
193.12259	1.5
195.11642	1.4
197.09775	0.6
197.13266	2.9
207.11629	0.7
209.11693	1.2
213.12741	1.3
215.14326	9.7
225.12766	0.7
227.12721	8.3
227.14662	1.0
233.15355	1.9
236.19576	0.6
239.14244	0.9
255.13835	1.1
267.15930	1.8
271.17081	0.7
287.16504	1.0
305.26688	3.0
315.57855	0.7
335.25824	13.0
336.26160	100.0
337.26456	0.8
339.23062	1.9
349.21439	3.1
357.24399	1.2
367.22672	8.5
385.23822	8.3
403.24835	4.0
441.26572	5.6
459.27420	23.0
477.28177	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	477.2848
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03937	6.8
55.01862	9.0
55.05275	4.0
55.05515	63.0
57.03421	8.1
58.00257	2.2
67.05510	60.2
69.03414	8.9
69.07066	16.6
70.96684	6.1
71.05022	3.1
79.05496	60.1
81.03401	10.8
81.07057	55.6
83.04990	14.3
83.08626	32.2
85.06533	3.7
91.05487	50.6
93.07046	33.6
95.04979	11.8
95.08631	18.8
97.02923	3.5
97.06519	4.6
97.10181	58.0
103.04796	2.3
103.05456	13.1
104.03905	2.2
105.06397	3.4
105.07041	41.4
107.04949	10.9
107.08593	35.0
109.06506	4.6
109.10160	12.1
109.58893	2.1
111.08036	5.5
115.05474	6.9
117.07030	42.9
119.04971	3.6
119.08601	17.3
121.06500	7.1
121.10117	9.4
123.08072	2.8
123.11661	4.6
125.09641	36.9
128.06229	5.9
129.07007	23.0
131.04936	4.8
131.08574	34.2
133.06494	8.1
133.10123	8.5
135.08018	8.1
135.11687	4.8
137.09608	3.1
141.06993	11.1
142.07735	2.1
143.08595	11.9
144.09503	2.4
145.06483	18.7
145.10130	19.2
147.08055	8.6
147.11678	9.1
149.09601	6.8
149.13268	4.0
153.09137	5.0
153.12791	2.8
155.08568	15.1
157.06497	8.1
157.10153	10.0
159.08057	9.5
159.11664	6.7
161.09673	4.3
163.11198	6.8
165.12701	4.7
167.08582	4.0
169.10117	8.8
171.08023	6.3
171.10178	7.4
171.11676	8.6
173.09668	5.5
175.11104	3.3
175.63203	2.5
177.09016	2.6
179.08542	2.7
181.10222	4.0
181.12271	3.4
183.11807	3.1
185.09688	3.3
185.13245	3.6
187.14827	8.4
189.11244	29.4
189.12770	4.7
193.12300	5.1
195.11655	8.3
195.13809	2.2
197.09625	3.6
197.13290	17.0
199.11137	5.8
201.94992	2.9
209.11592	5.2
211.14922	3.1
213.12747	5.3
215.14313	37.8
227.12720	19.4
233.15364	11.3
237.12788	2.9
241.12225	2.3
245.13928	3.5
255.13620	2.6
259.13300	4.1
267.15942	4.6
271.17065	3.3
289.18011	4.0
331.20477	2.7
339.23123	9.6
349.21609	13.3
357.24097	3.5
367.22745	34.3
385.23737	33.6
403.24789	17.2
412.32858	2.5
441.26373	18.1
459.27466	100.0
460.28799	2.6
477.28513	74.8
478.28546	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38106	1.3
52.21248	1.3
53.03947	6.6
55.01875	12.4
55.05513	54.8
57.03439	9.5
57.07073	1.9
58.87756	1.4
65.03931	3.4
67.05507	47.2
69.03426	7.4
69.07067	14.4
70.56911	4.5
71.04988	3.5
79.05498	54.6
81.03420	15.9
81.07063	50.1
81.56434	1.3
83.04521	2.2
83.04972	10.1
83.08620	25.3
85.06558	3.3
91.05486	28.4
92.07446	1.5
93.07049	31.2
95.04974	17.6
95.08604	19.4
97.06533	6.8
97.10172	48.3
103.05472	1.5
105.07035	26.0
107.04962	27.9
107.08603	25.5
108.49844	1.2
109.06526	8.1
109.10155	12.4
110.08664	1.2
111.04475	2.2
111.08064	5.0
113.05999	2.8
115.05508	4.6
117.07014	16.9
119.04952	2.3
119.08586	15.6
121.06504	22.2
121.10149	5.8
123.04473	2.3
123.08066	9.5
123.11766	2.1
125.06004	4.0
125.09634	38.5
128.06239	1.8
129.06987	12.8
131.04955	6.0
131.08563	15.5
133.06497	11.0
133.10127	9.4
135.08061	12.5
135.11700	3.5
137.09651	1.8
139.07523	2.5
141.07014	4.3
142.07751	1.5
143.08594	8.6
143.10669	1.7
145.06496	20.6
145.10129	10.2
147.04391	3.5
147.08047	10.5
147.10677	1.6
147.11681	9.5
149.09624	5.7
153.09093	8.8
153.12730	3.6
155.08563	5.7
157.06506	3.8
157.10173	8.3
159.08083	5.2
159.11690	3.1
161.06006	2.5
161.09665	4.3
163.11185	4.5
165.12807	1.9
167.08560	3.1
169.10156	4.2
171.08080	4.7
171.10165	5.2
171.11694	5.7
173.09610	4.6
173.13333	2.5
175.07527	2.4
175.11215	5.2
177.12781	2.3
181.10162	3.6
183.08081	2.2
183.11723	2.6
185.09680	3.8
185.13216	2.0
187.11227	4.2
189.09470	2.7
189.11237	17.4
189.12840	5.5
193.12222	13.3
195.11784	2.2
197.09593	2.4
197.13342	3.1
199.11214	6.7
203.14359	2.8
205.12268	3.3
205.15894	2.2
207.11864	1.6
209.13365	2.0
211.11322	2.1
213.12749	5.1
215.14354	5.6
217.12309	2.0
219.13904	2.4
223.11235	3.3
223.13278	3.5
224.24294	1.6
225.12697	2.1
227.12802	4.4
227.14693	1.9
231.13774	3.9
233.15375	11.5
235.13280	3.6
237.12747	2.0
241.14397	6.1
245.15514	3.3
249.14893	2.8
255.13866	5.0
257.15530	1.8
259.13370	2.6
263.16449	1.6
267.15988	5.2
271.17020	2.9
273.14874	15.4
275.16562	3.1
287.16513	2.9
289.18140	1.5
291.15912	3.3
301.17795	1.4
302.11890	1.6
321.22046	1.8
339.23157	7.4
349.21719	18.1
357.24258	6.7
367.22702	55.6
375.25253	2.1
385.23727	100.0
403.24857	27.9
413.26913	1.8
423.25299	4.2
441.26587	10.1
459.27423	78.3
477.28519	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03948	1.0
55.01856	0.4
55.05517	10.3
57.03440	6.9
57.07090	1.5
57.50479	0.2
59.85661	0.2
62.06066	0.4
63.11670	0.2
63.90319	0.2
65.03926	0.7
67.05508	24.1
67.80569	0.2
69.07074	14.5
71.04989	0.6
71.08620	0.6
75.51496	0.2
79.05072	0.4
79.05499	5.9
81.07060	22.7
83.04969	0.8
83.08162	0.4
83.08623	6.4
85.06535	0.8
91.05486	3.6
93.07050	6.7
95.04956	0.2
95.08613	18.0
97.06526	1.6
97.10174	3.1
98.06051	0.4
98.20695	0.3
98.98464	0.6
99.08074	0.5
105.04517	0.2
105.07035	2.4
107.08587	3.4
109.06493	0.5
109.10160	6.7
111.08060	0.7
111.11700	0.9
115.07561	0.2
119.08586	2.3
121.10151	2.9
123.08047	0.2
123.11709	2.4
124.01606	0.7
124.35290	0.2
125.09651	0.4
131.27995	0.2
133.10132	2.9
135.11705	1.3
137.09595	0.4
137.13252	0.7
139.11201	0.3
147.11699	1.6
149.13274	0.7
151.14891	0.3
158.93169	0.2
161.13284	1.1
163.14870	0.4
175.14824	0.7
198.05270	0.2
216.06287	1.0
227.05260	0.2
245.22749	0.4
262.44785	0.2
263.23685	0.9
306.27911	2.8
337.27377	100.0
338.27829	1.1
478.28854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03948	0.9
53.46223	0.4
55.01880	0.7
55.05273	0.7
55.05515	9.8
57.03445	3.4
57.07065	2.0
59.66890	0.5
60.90189	0.5
62.06094	26.9
65.03931	1.0
67.05511	25.2
69.07073	13.9
69.85567	2.3
71.04993	0.7
71.08627	0.8
75.04469	0.5
76.02193	0.5
79.05506	9.3
81.07065	24.1
83.04997	0.6
83.08623	6.2
85.05257	0.8
85.06537	0.8
91.05485	4.3
93.07056	8.3
95.04945	0.7
95.08613	17.9
97.06537	1.1
97.10189	3.0
98.06046	2.9
98.42740	0.5
98.98466	7.5
105.07031	3.6
107.08597	4.3
109.06561	0.5
109.10173	7.2
111.08090	1.3
112.07543	0.6
119.08574	2.5
121.10141	4.2
123.11710	3.1
124.01595	1.5
125.09621	0.6
131.08528	0.7
133.10165	2.9
135.11702	1.5
137.13257	0.9
142.02676	1.1
147.11697	2.2
149.13339	1.1
151.14821	0.8
153.12813	0.6
155.01065	6.1
161.13361	0.9
163.14847	1.2
165.16360	0.5
173.02170	1.5
175.14857	0.9
189.16391	0.8
195.35704	0.5
198.05273	1.9
216.06285	3.3
242.00812	0.4
245.22702	2.0
263.23737	5.1
265.79309	0.5
306.27927	29.5
319.26340	0.9
337.27383	100.0
338.27750	1.6
417.23590	1.0
460.28299	5.0
478.29172	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	479.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74979	3.3
63.24314	3.4
71.51380	4.8
86.11681	4.1
94.93007	9.8
136.79311	4.1
136.94029	64.5
148.94051	22.2
166.95125	29.2
196.96107	9.5
202.89098	14.7
222.86765	3.5
248.89792	4.9
256.98291	20.6
284.83557	5.8
344.85803	8.4
381.07944	100.0
413.55045	3.8
419.03558	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0826
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
54.40680	0.1
55.01883	0.4
57.03443	1.3
58.56288	0.1
59.75557	0.1
65.03951	0.2
67.01872	0.3
68.99799	0.8
69.03432	0.5
71.01363	1.9
71.43869	0.1
73.02925	3.5
75.04480	0.3
81.03423	0.2
83.01338	0.3
85.02914	9.1
89.02391	0.1
93.03435	0.4
95.01339	1.3
95.04990	0.3
97.02898	0.6
98.33038	0.1
99.00833	0.6
101.02396	0.6
101.66951	0.1
103.03949	0.7
105.03458	0.1
109.02892	0.5
110.03659	0.1
111.00806	1.2
113.02376	5.2
117.01888	0.1
117.06999	0.1
121.02863	1.0
123.04467	0.3
127.03932	0.2
131.03413	1.4
131.04944	0.1
132.37976	0.1
132.95697	0.1
135.04427	0.3
137.02357	3.7
137.03308	0.1
141.01834	1.9
141.02904	0.1
145.02864	0.1
145.06491	0.1
147.04459	0.1
149.02382	0.6
151.04091	0.1
153.01842	4.6
155.04961	0.2
159.02907	2.2
159.04185	0.1
161.06004	0.3
163.03914	0.7
165.01852	2.2
166.02646	0.3
173.06032	0.5
175.07442	0.1
177.01849	0.1
179.03468	0.1
183.02922	0.8
183.04485	0.3
187.03923	0.3
191.03427	0.1
191.07094	0.1
195.02934	0.3
201.05492	1.9
205.05013	0.2
207.02948	0.2
211.03923	0.2
213.05467	0.2
215.03351	0.2
219.02922	0.3
219.06573	0.4
224.95236	0.1
228.04277	0.3
229.04985	5.0
239.03453	0.2
246.05344	0.1
247.06056	0.9
257.04471	3.1
273.04120	0.1
274.04697	0.9
275.05438	0.2
285.03976	1.5
296.96408	0.1
302.04205	0.2
303.05011	100.0
304.05316	1.1
315.05115	0.2
345.06036	0.1
480.82959	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.0
57.03431	1.9
61.02911	1.4
67.05516	3.5
69.03407	1.6
69.07050	1.7
69.31384	1.5
69.31789	5.9
70.06598	0.8
71.05016	1.4
73.02924	0.9
79.05506	6.6
81.03413	1.4
81.07051	5.8
83.04966	0.9
83.08612	2.4
84.04493	1.2
85.02885	2.8
86.09686	0.8
91.03922	0.8
91.05516	1.8
93.07045	10.9
95.04963	2.3
95.08067	0.5
95.08611	13.5
95.96590	0.6
97.02877	2.8
99.04447	2.5
103.11431	0.6
105.07020	2.0
107.05006	3.3
107.08595	9.8
109.06533	1.2
109.10210	0.9
117.07001	2.3
119.08598	3.5
121.06510	1.6
121.10162	5.0
125.05956	1.6
126.05446	1.0
127.03921	1.1
129.10220	0.7
133.10114	0.8
135.10703	1.2
135.11702	21.0
138.05490	1.7
145.10123	13.4
147.04471	0.9
163.03754	0.8
163.11182	31.2
168.06590	0.8
181.12221	6.7
186.07549	0.9
191.61830	0.7
195.65134	0.8
209.11780	1.3
222.62276	0.7
227.12785	45.7
270.87640	0.7
283.15408	100.0
287.05444	1.1
301.16446	0.9
303.04980	1.3
304.05466	3.4
365.89301	0.8
445.20654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.81893	0.6
53.99844	0.6
54.84257	0.6
55.05280	0.9
55.05521	10.4
57.03444	3.3
57.03686	0.6
57.07080	4.0
61.52953	0.6
62.06095	23.9
67.05183	0.8
67.05513	9.3
69.06744	1.0
69.07080	14.4
71.04949	0.9
71.08621	3.0
75.54185	0.7
79.05496	3.6
81.03399	0.8
81.06655	0.8
81.07074	10.0
82.67277	0.7
83.08631	11.5
85.10191	1.2
91.05476	0.7
93.07043	4.9
95.08058	1.0
95.08615	11.6
97.06522	2.0
97.10179	6.9
98.06065	2.3
98.20641	1.5
98.98477	6.8
102.09145	0.8
107.08618	3.4
109.10168	4.5
111.08064	1.4
111.11709	1.5
121.10150	4.7
124.01627	1.3
124.39738	0.8
135.11700	3.1
142.02672	0.9
148.84708	0.8
149.13260	1.9
155.01057	6.1
173.02136	0.8
179.02988	0.6
198.05287	1.4
216.06343	2.8
229.21138	0.9
251.10716	1.0
265.25269	3.3
308.29495	26.9
339.28973	100.0
340.29434	1.2
415.53714	0.7
419.25592	4.7
462.30084	5.2
480.30978	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	481.0982
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03938	0.3
54.84370	0.2
55.01862	0.3
55.05502	0.2
57.03425	0.6
61.02930	6.0
67.05505	0.3
68.99790	0.9
69.03430	1.9
70.06580	0.6
70.36951	0.8
71.04981	0.4
72.08138	0.6
73.02920	1.7
81.03415	1.1
81.07050	0.3
84.08131	0.4
85.02910	6.9
86.09702	0.8
87.04482	0.3
91.03959	3.3
91.05479	0.3
93.03358	0.2
97.02898	3.5
98.97611	0.2
99.04453	0.5
103.05523	0.2
105.03412	0.2
105.07021	0.3
107.08609	0.3
109.02882	1.7
109.06512	0.2
109.10151	0.3
110.07178	0.3
111.00814	2.1
111.04475	0.4
115.03903	0.4
119.04926	0.4
120.08084	0.5
121.02844	0.3
123.04407	0.3
125.02335	0.5
127.03940	1.5
133.10144	0.2
136.07581	0.3
137.02332	2.2
137.05974	1.3
139.03917	0.3
145.04944	0.9
147.04437	0.6
151.03880	0.3
151.11163	0.2
152.11531	0.2
153.01837	10.2
161.06036	0.4
163.03891	0.2
165.01859	3.4
166.02646	0.6
167.03421	0.3
168.06352	0.2
169.12271	0.5
170.12578	0.4
171.04324	0.3
177.05458	1.2
179.03401	1.4
183.02974	1.3
185.04462	0.6
187.04884	0.3
189.05444	0.8
191.14124	0.2
193.01361	0.2
195.02916	0.8
198.46478	0.2
199.03952	0.4
203.03412	0.4
207.02927	0.4
217.04961	3.2
221.04404	0.5
227.03256	0.4
229.04955	0.3
231.02979	0.2
235.05980	0.3
244.03636	0.3
245.04446	4.5
255.02898	0.7
263.05533	0.7
273.03952	4.8
290.04123	1.2
291.04904	0.3
299.63638	0.2
301.03467	1.0
301.11859	0.4
317.03003	0.7
319.04495	100.0
320.04788	0.8
335.04028	0.7
361.05426	0.3
425.14642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
60.04526	5.6
69.03439	0.6
69.23022	0.6
69.23354	3.2
70.02950	0.4
70.06590	0.5
72.08143	0.4
74.14522	0.3
76.09103	0.3
79.05501	0.5
81.03420	0.6
81.07033	0.9
83.23749	0.3
84.04491	1.3
85.02897	1.4
86.09707	24.8
87.05592	6.3
88.04022	0.4
91.05466	1.3
93.07056	1.8
95.04971	0.3
96.04507	0.5
97.02921	0.4
98.20740	0.6
103.05461	3.1
105.07098	0.3
107.04990	0.5
110.07254	0.3
110.09666	0.4
111.93784	0.4
115.70921	0.3
119.08608	0.4
120.08106	100.0
121.08437	0.7
126.05534	1.3
127.03906	0.5
127.05843	0.5
128.10733	3.8
134.04491	0.7
138.05528	2.2
139.05872	0.5
144.03079	0.3
144.06538	0.6
145.05038	0.3
162.82039	0.4
168.06581	0.6
169.06932	0.6
173.12862	30.6
201.12344	15.0
233.16519	0.7
261.16055	0.4
263.10309	0.4
281.11319	37.1
287.05469	0.6
303.05063	0.9
303.16925	1.9
304.05347	0.4
305.05609	1.7
319.04510	0.8
319.08057	0.4
348.19220	2.7
392.78857	0.4
445.25861	0.4
463.26898	0.4
481.22955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93695	0.8
54.13937	0.9
55.05513	2.2
57.03440	5.2
59.05005	1.3
65.46217	1.0
67.05511	1.1
69.03433	14.6
69.07055	2.3
70.76821	1.8
70.77201	1.9
71.04999	9.4
73.06561	3.3
79.05502	3.1
81.03431	5.8
81.07068	16.3
83.04997	0.9
83.08620	2.6
85.02907	12.1
87.04471	12.0
91.05479	2.8
93.07050	10.0
95.04962	1.8
95.08610	2.8
97.02896	16.4
97.06526	1.2
102.05591	1.0
105.06981	1.3
107.08596	7.4
109.10210	1.8
115.03939	25.5
119.08582	1.2
127.03916	1.7
133.04965	22.1
135.11691	15.5
137.09720	0.8
145.04965	2.5
149.09647	1.2
153.12752	100.0
157.10254	1.1
173.13211	0.9
175.11197	1.1
193.12256	4.0
211.13281	2.7
223.11942	1.1
235.47858	0.8
259.08191	3.0
265.88809	0.8
267.15915	1.6
285.16946	17.8
295.10306	3.1
500.65884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99889	1.5
60.05051	1.1
60.77226	1.1
66.88129	1.2
69.03439	2.1
70.19790	2.4
70.20184	3.1
76.02202	1.3
81.03409	1.6
81.85149	1.3
82.99868	3.2
85.02919	4.4
97.02908	4.0
100.91311	1.3
101.00897	15.7
113.00917	6.0
113.55218	1.2
115.02460	1.4
119.01940	19.2
127.02443	4.3
128.92236	1.2
131.01933	13.1
133.03499	2.2
137.00861	1.8
139.02419	3.3
143.01930	27.1
143.38089	1.3
145.03523	14.6
145.87062	1.3
147.01437	2.0
147.17953	1.2
149.02957	1.7
152.05641	1.3
155.01915	30.2
157.03468	7.9
161.02985	22.2
163.02711	1.4
163.03958	4.6
167.01927	14.6
169.03523	4.1
171.05099	3.0
173.02989	44.2
175.04549	2.4
177.02519	4.0
179.01923	4.4
181.03516	2.3
183.01535	2.3
185.02983	44.6
187.04588	5.6
195.03394	1.4
197.02991	14.1
199.04626	2.3
201.02483	60.3
203.04047	14.7
209.03043	5.0
211.04591	2.0
213.02519	11.6
215.04068	10.1
219.03543	84.1
221.03023	6.3
221.05150	8.3
225.02444	2.0
227.04033	11.6
231.03540	12.2
233.05209	1.4
237.02499	4.5
237.04599	2.2
239.04134	2.0
242.05150	2.4
243.03564	4.7
245.05119	100.0
246.05409	1.9
249.04573	8.0
255.03525	5.2
257.05005	7.3
261.04593	18.6
263.06198	11.1
267.03485	1.7
273.04639	2.1
275.06198	13.1
279.05728	5.2
285.04596	3.8
293.07245	4.7
303.05673	49.2
305.07288	11.3
321.06699	51.1
335.08395	4.7
365.09360	7.2
383.08096	2.5
483.12061	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	483.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40328	1.0
53.03936	1.5
55.01880	2.2
57.03416	2.5
59.93764	1.0
61.02918	3.7
66.72338	1.1
69.03443	10.4
70.06577	1.9
71.08818	2.3
72.08144	1.6
73.02927	2.6
81.03408	4.7
83.01344	1.4
85.02916	23.8
87.04491	1.3
91.03971	1.8
91.05458	2.5
93.18478	1.0
97.02900	17.2
99.04466	1.6
109.02885	2.6
115.05447	2.8
119.04951	3.5
123.04427	2.9
125.02368	30.0
127.03967	6.1
133.06503	1.6
136.07608	1.8
137.02365	3.7
137.05986	18.7
140.22800	1.2
143.03415	87.8
143.04849	3.8
145.04991	4.1
147.04362	5.2
151.03877	2.9
153.01785	1.9
161.06003	17.5
163.03899	3.0
169.04976	8.1
179.07062	100.0
189.05510	2.6
193.04984	1.2
195.09241	1.7
195.76984	1.1
196.09940	5.3
199.03905	3.4
203.03383	3.6
211.05984	6.9
211.12337	2.7
212.10910	5.5
217.05067	1.2
224.09448	4.6
227.03435	3.2
239.11850	15.5
241.13350	3.8
245.04530	2.2
263.05521	21.2
267.11322	61.0
272.11279	1.3
285.03961	4.5
285.12369	52.6
303.04974	11.5
303.08655	12.3
303.13385	37.8
305.08673	8.1
321.06094	3.0
321.09689	35.0
425.10959	1.9
465.09818	1.2
483.22644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1499
Annotation	Leucocyanidin 4'-methylether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
51.75116	0.8
53.03942	1.0
55.01871	2.0
57.03423	2.3
61.02935	4.0
65.94202	0.8
69.03430	9.0
70.04523	3.6
70.06593	1.3
70.22664	0.9
71.04994	1.1
73.02916	1.9
79.01842	0.9
81.03414	4.2
83.34843	0.8
84.08152	1.3
85.02437	1.6
85.02913	19.7
87.04461	0.9
88.08678	0.9
91.03947	1.5
91.05479	2.6
95.04960	0.8
95.07265	0.8
97.02904	14.0
99.04451	1.3
106.75166	0.8
109.02898	2.4
115.05438	2.3
119.04947	3.6
123.03666	0.8
123.04427	4.4
125.02355	29.5
127.02064	1.0
127.03931	5.9
137.02345	4.4
137.05977	19.3
143.03398	89.3
143.04904	5.5
144.03751	0.8
145.04941	2.4
147.04411	4.9
147.23184	0.8
151.03900	8.9
152.04202	0.9
153.01842	34.6
153.02940	1.8
157.78427	0.8
161.04668	1.0
161.05989	16.3
163.03923	3.6
165.05522	2.0
169.04976	9.3
171.04500	1.0
175.03938	1.8
179.07042	100.0
181.05035	1.6
185.61349	0.9
189.05484	2.7
193.04974	32.0
197.61394	0.8
199.03908	3.4
203.03429	3.2
209.04530	0.9
211.06010	8.2
211.07788	1.2
217.04993	2.5
227.03429	3.5
235.05992	2.3
245.04482	3.8
247.06070	1.5
256.00800	0.8
263.05539	20.4
263.38910	1.1
277.07080	1.2
285.04083	1.1
303.05054	3.0
303.08640	12.0
305.08713	12.9
313.09180	1.0
315.07153	3.3
319.04434	0.9
320.04843	1.0
321.05493	2.4
321.09683	35.5
425.10843	1.2
483.14682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.01890	0.7
57.03443	1.5
61.02935	2.4
69.03429	6.0
69.59734	1.2
69.60145	3.0
70.06608	0.7
70.48916	0.6
73.02939	0.9
81.03429	1.9
83.05010	0.9
85.02902	13.2
85.03378	1.1
91.03950	0.7
91.05453	0.7
91.44292	0.6
95.90079	0.7
97.02899	5.5
99.04448	0.9
109.02892	1.3
112.96201	0.6
116.83824	0.6
119.04914	0.6
125.02346	4.4
127.03938	2.4
137.05968	2.5
138.09183	0.6
143.03401	13.3
145.04971	1.7
147.04478	1.0
149.07388	0.8
153.01816	1.7
161.05988	2.0
169.05037	1.1
179.07047	15.9
183.09157	1.3
185.07103	0.6
185.10843	0.7
193.04968	1.6
195.09171	2.2
196.09927	8.4
199.08717	0.6
207.06464	0.6
208.09830	0.8
210.07915	0.9
211.05952	0.8
211.08704	2.7
211.12245	4.3
212.09076	1.3
212.10919	9.5
213.10289	1.2
221.10730	0.7
223.12355	0.8
224.09416	6.8
225.10207	0.8
226.11134	1.8
227.11826	0.9
229.13347	1.1
239.11798	25.2
240.12617	0.8
241.13380	10.9
243.11186	0.7
245.04797	0.7
254.10577	1.3
259.14459	0.7
262.84976	0.6
263.05481	3.2
267.11288	100.0
268.11777	1.1
269.12885	0.8
270.09927	0.8
272.11649	0.8
285.12335	94.6
287.13962	2.2
303.13388	56.7
305.08603	2.0
321.09674	4.7
321.13705	1.2
353.14011	1.2
482.78436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	1.1
56.92374	0.6
57.03430	1.4
61.02916	2.7
67.05482	0.6
69.03430	6.2
69.99809	1.2
70.00223	2.7
70.06576	0.9
72.08163	1.3
73.02906	1.0
79.57389	0.7
81.03411	3.3
81.07064	0.7
84.08186	0.7
85.02446	1.3
85.02909	14.7
86.09702	1.2
91.05481	0.8
97.02892	6.9
99.04480	0.7
109.02850	2.1
119.04919	1.3
124.07613	1.0
125.02351	9.4
127.03873	3.5
137.02327	1.9
137.06013	5.0
143.03398	24.3
143.04979	1.3
144.08032	0.9
145.04964	1.7
145.53545	0.7
147.04404	4.9
156.57288	0.7
161.06020	3.9
163.03972	1.1
164.06967	1.0
169.04993	1.7
179.07042	30.5
182.08334	1.0
183.09297	0.8
184.07512	0.8
184.11292	1.0
189.05464	1.1
195.09225	1.3
196.09921	7.5
197.04407	0.7
199.03996	1.0
210.07892	1.2
211.05977	2.3
211.08688	1.1
211.12247	2.8
212.09109	1.1
212.10893	9.9
213.10184	1.5
223.08667	1.2
224.09383	5.8
226.10931	1.4
227.03357	0.7
228.97952	0.7
238.54771	0.6
239.11800	24.5
241.13353	6.6
254.10522	1.5
257.12836	1.1
261.03949	1.1
263.05472	6.2
267.11292	100.0
285.03986	12.8
285.12335	79.3
285.15695	1.2
287.13815	1.0
303.05099	26.1
303.08804	3.3
303.13379	64.2
305.08676	2.8
321.05994	5.3
321.09717	8.5
328.10229	0.9
465.10437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
55.05516	2.9
56.05040	30.2
57.03426	3.4
61.02932	14.0
63.71692	1.1
67.05514	9.1
69.03431	3.8
69.07070	3.5
70.06589	7.6
70.64845	3.1
71.04995	2.5
72.08149	1.2
73.02917	4.4
79.05484	3.3
80.05022	1.9
80.68047	1.2
80.68519	1.0
81.03417	2.9
81.07065	15.1
81.81068	0.9
83.05016	1.6
83.08630	2.4
84.04510	2.5
84.08137	3.6
84.68211	1.3
85.02908	16.3
85.06500	1.3
86.09712	3.2
91.03965	6.8
91.05494	7.0
93.07029	3.0
93.35141	0.8
94.60712	1.1
95.08598	1.7
96.08115	1.3
97.02891	6.9
97.10189	1.1
97.56863	1.0
99.04417	1.0
102.05600	1.2
105.07027	2.9
107.08595	4.3
109.06525	1.1
109.10145	3.1
110.07170	1.9
116.07076	1.7
119.08597	1.5
120.08093	2.0
121.10150	2.0
123.11698	4.3
127.03857	1.4
132.01093	1.2
133.10127	4.3
143.03403	3.0
144.03821	1.5
147.04391	1.4
150.05562	1.2
150.12753	1.8
151.11208	2.6
163.03859	1.3
168.13852	100.0
179.07069	3.3
180.07350	2.5
183.13806	1.4
184.07330	1.7
186.14931	14.3
187.13303	2.7
198.14929	1.0
208.06085	1.5
210.14842	1.1
224.16457	3.4
242.17528	75.3
243.15929	25.0
260.18588	69.9
286.20322	2.2
302.19641	1.7
304.21216	42.5
304.24756	2.2
322.09906	1.8
350.48572	1.3
382.22504	1.3
404.23230	1.6
405.17001	1.1
422.23871	35.0
433.84641	1.1
448.25320	3.9
466.26520	91.2
484.20224	1.3
484.27048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91648	0.6
55.05516	1.2
57.03444	6.0
59.05000	3.2
61.02953	0.7
61.79498	0.6
64.29285	0.6
67.05507	1.2
69.03432	21.3
69.07069	5.6
69.15972	0.6
69.17210	7.0
71.08635	44.7
73.02911	0.7
77.74157	0.6
81.03432	1.2
81.07045	1.3
85.02913	14.3
86.09718	2.5
87.04471	16.1
91.03982	0.7
97.02901	17.7
99.04456	0.8
99.08098	100.0
100.08398	0.6
104.10757	4.8
104.55011	0.7
109.02895	0.7
115.03939	20.7
115.04748	1.1
123.04465	1.0
126.77998	0.7
127.03923	2.9
129.12759	15.1
130.04942	0.8
133.04971	23.2
145.04967	2.7
147.04515	0.7
155.08559	1.3
155.14291	3.0
173.15379	88.2
175.06023	1.0
175.55705	0.7
184.07343	3.6
193.84811	0.7
205.07019	0.8
252.01059	0.7
259.08209	1.5
276.39877	0.8
276.51511	0.6
277.09183	0.8
295.10114	1.4
298.17551	0.6
417.74405	0.8
484.26767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26283	0.6
55.05517	3.3
57.03442	6.9
57.07081	24.5
58.77696	0.6
67.05521	5.6
69.07070	3.7
71.01903	1.2
71.02240	0.7
71.08636	17.2
79.05468	0.8
81.07062	6.2
83.08636	4.0
85.10187	8.5
89.06048	1.7
95.08612	10.0
97.10177	1.8
98.98472	6.3
103.07584	0.8
109.10171	4.2
123.11736	1.6
133.10220	0.7
135.06813	0.7
140.58305	0.6
155.01056	3.5
194.09492	0.6
239.23782	1.7
257.24841	1.7
271.85138	0.7
271.96750	0.6
313.27377	100.0
314.27698	0.9
350.43839	0.7
393.23907	0.6
435.42917	0.6
449.26654	2.0
485.28708	4.7
485.35178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69925	0.7
52.42912	0.7
53.03944	3.0
55.01860	2.2
57.03431	1.9
59.13667	0.7
69.03436	10.2
70.06597	2.8
70.13304	3.1
71.01348	0.8
71.04997	2.1
71.48582	0.7
72.08156	1.5
73.02911	1.5
81.03425	20.4
84.08123	0.8
85.02914	18.6
90.12640	0.8
97.02901	12.8
98.21454	0.9
99.04463	6.4
101.02374	1.6
101.23333	0.8
103.03972	1.7
109.02889	100.0
127.03927	66.8
139.03902	5.8
142.50160	0.8
145.04958	4.4
152.60023	0.8
163.03923	1.8
163.05907	0.9
169.04974	34.8
187.06108	3.3
205.07124	2.2
211.06097	3.5
226.57123	0.9
229.07097	19.0
247.07925	1.0
271.08191	5.4
289.09207	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53769	1.1
55.01880	1.3
55.05517	6.4
57.03445	2.0
57.07086	2.0
57.98829	1.5
58.99599	12.1
63.52273	1.1
67.05513	27.0
69.07078	4.6
69.40772	2.7
69.41177	6.8
76.02240	58.7
76.04013	3.5
79.05499	8.1
80.05007	1.2
81.07073	26.0
83.05006	1.2
83.06109	4.3
83.08620	2.2
84.04519	18.8
86.99071	2.6
87.01287	1.0
88.02252	1.3
91.05494	4.6
93.07058	9.8
94.88798	1.1
95.05000	2.9
95.08625	43.7
97.06551	1.3
98.20757	2.0
105.07048	7.3
107.08621	6.0
109.06548	3.8
109.09473	2.2
109.10178	30.3
116.01701	20.3
117.06987	1.7
119.08614	11.2
121.10136	3.0
123.08091	4.0
129.06679	3.9
130.04984	6.3
130.06868	3.6
133.10161	3.0
134.09694	2.2
135.11699	2.1
137.09669	3.2
141.04863	1.7
142.03247	5.1
143.96655	1.0
144.01169	13.9
151.14836	20.5
161.13312	7.5
162.02228	36.2
170.02765	2.6
176.14433	1.3
177.15157	1.2
178.16006	1.3
179.04887	100.0
179.14331	31.4
187.05455	3.1
215.04897	1.3
216.06981	1.4
229.24474	1.1
233.05969	14.7
233.09715	1.3
233.81238	1.1
236.14763	1.5
237.13199	2.0
245.05791	2.7
291.06415	2.8
308.09137	17.3
339.17413	15.6
357.18347	1.9
393.18286	1.5
411.19568	20.9
468.21658	7.4
480.69940	1.2
486.22604	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	486.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01876	1.4
55.05514	10.0
56.05040	1.7
57.03422	3.6
57.07059	1.9
58.99591	12.4
59.04998	1.3
63.24701	1.1
67.05506	47.4
69.03435	2.7
69.07079	7.5
70.33642	1.1
70.91534	2.5
71.04995	2.2
76.02229	56.3
76.03995	2.1
79.05492	13.5
81.03418	2.1
81.07055	31.6
81.68305	1.1
83.04963	3.1
83.06102	2.9
83.08598	3.2
84.04504	21.6
85.01131	2.1
86.99038	2.8
88.02182	1.6
90.02115	1.1
91.05480	9.9
93.07048	16.3
95.04962	4.9
95.08610	65.9
97.06535	1.6
99.05586	1.6
105.07051	12.2
105.81156	1.3
107.08596	6.7
108.08145	2.0
109.06538	3.8
109.10165	47.0
111.08043	1.9
112.03967	1.9
113.04222	3.6
116.01693	20.5
116.36132	1.2
117.07079	1.7
119.08581	17.2
121.10159	5.5
123.08080	8.0
123.11717	1.4
129.06563	3.1
130.05005	6.1
130.06871	2.6
130.08627	1.8
133.10123	5.7
134.09709	6.0
135.11699	3.5
137.09633	6.2
139.05736	2.7
142.03236	5.3
143.08563	1.6
144.01141	13.9
145.06081	2.9
151.14827	31.1
156.08348	1.6
161.09564	2.1
161.13252	12.6
162.00833	1.6
162.02205	43.8
179.04858	100.0
179.14313	54.8
179.15543	0.8
185.13353	1.5
187.05316	4.8
216.06915	1.6
226.83678	1.5
233.05946	16.8
236.14639	4.9
237.13011	4.8
245.06003	3.4
254.15775	6.1
255.89197	1.1
291.06323	2.2
308.09149	16.6
339.17413	30.2
357.18390	11.1
365.18942	1.2
393.18225	4.0
404.59174	1.5
411.19519	19.6
468.21457	13.0
486.22629	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51810	0.9
51.76701	0.9
53.03940	2.5
55.01875	2.1
57.03437	1.9
61.02933	1.9
66.93216	1.0
67.84748	1.0
69.03442	14.3
70.06606	8.8
71.01350	1.0
71.04995	3.3
71.25430	1.6
72.08157	1.9
73.02915	1.0
73.18674	0.9
81.03431	16.4
81.07056	1.6
84.04526	3.6
85.02907	6.7
86.09718	14.3
87.04455	0.9
87.74245	0.8
91.05461	1.0
97.02926	1.8
99.04466	5.8
109.02884	1.4
117.05535	1.7
118.06561	2.1
120.08102	1.2
122.71186	0.9
127.03954	1.6
128.71480	1.0
129.10301	0.9
130.05028	4.1
135.04388	1.6
137.02345	2.6
145.02869	1.2
145.07648	4.7
147.07724	1.8
147.09180	4.8
147.13919	0.9
155.11769	2.2
159.84711	0.9
162.07982	1.2
163.03925	11.2
173.07120	7.9
175.08688	6.8
183.11343	1.5
191.08180	100.0
193.05000	2.9
197.04488	3.4
200.13988	4.3
228.13521	3.3
233.09308	1.4
244.76311	0.9
260.16113	4.2
289.11856	2.5
289.18140	1.0
307.12888	26.9
307.18631	1.8
325.13971	85.7
341.21857	2.2
358.10733	1.6
359.09848	1.8
487.15878	1.4
487.22531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01870	0.9
55.05531	0.3
57.03424	1.6
58.89714	0.4
61.02940	2.1
64.08866	0.3
67.01891	0.3
67.05508	0.5
69.03441	5.2
69.07081	0.5
69.81033	1.9
70.06590	1.3
70.32451	0.3
71.04984	1.2
72.08157	0.5
73.02924	0.9
79.05489	1.5
81.03433	3.0
81.07065	4.1
83.01351	0.7
85.02919	13.7
86.03519	0.4
86.09708	1.8
87.04472	0.8
87.80530	0.4
91.03963	0.9
91.05476	0.6
93.07066	0.5
95.04985	0.4
97.02906	5.8
98.21451	0.4
99.04460	1.0
107.08560	0.4
109.02926	2.0
114.05577	0.5
116.07064	0.3
121.06515	0.4
123.04441	1.6
123.08080	0.4
127.03951	3.0
131.04901	0.4
135.04385	0.4
139.03851	0.9
145.04974	2.8
147.04442	1.0
149.05995	0.6
151.03925	3.1
155.03421	0.6
159.04437	0.6
163.03926	3.3
167.03369	0.5
169.04976	5.9
177.05492	1.3
179.03416	9.7
181.04955	8.6
183.02931	0.9
185.04466	0.5
187.03873	1.2
187.07538	0.9
193.04962	0.4
195.06595	0.8
197.04477	42.0
205.04951	2.6
205.08614	1.1
209.04456	1.9
209.08127	1.2
211.05966	0.9
219.10193	0.5
220.89322	0.4
223.06076	5.4
223.09563	1.9
229.08676	1.0
247.09729	2.5
251.04063	0.3
265.10739	100.0
266.11063	1.0
377.01541	0.4
399.91879	0.4
409.05124	0.4
426.42120	0.4
427.15979	4.5
488.19791	1.1
513.50635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83287	2.4
53.00296	11.4
53.03935	6.6
57.03421	5.8
59.05009	3.0
61.02925	5.8
66.50323	2.3
69.03436	68.8
69.45683	17.3
70.06570	6.1
71.01342	4.9
71.04982	4.6
81.03430	23.6
84.08123	4.1
85.02917	73.6
86.09701	10.0
91.05483	12.1
93.07026	2.9
95.04951	3.8
97.02898	63.3
99.00810	54.2
99.04453	11.4
107.04956	76.5
109.02887	100.0
115.05505	2.9
117.01861	7.4
117.07016	2.9
119.04958	28.9
121.02842	3.1
123.04435	43.1
127.03928	73.1
135.04439	18.4
137.02313	3.3
143.04942	4.0
145.04994	23.8
145.06450	5.5
147.04385	17.1
150.40793	2.4
153.06955	4.8
155.08589	2.9
161.06001	6.8
163.03880	10.2
165.07002	14.1
172.27200	2.6
177.05472	3.2
179.08589	5.3
183.02927	3.2
183.08080	15.4
189.05446	9.9
189.06984	3.9
195.02878	8.7
207.08067	23.8
211.07542	14.5
217.04988	3.8
221.06105	3.5
225.03883	6.0
225.09099	2.9
228.07785	8.1
229.08600	59.5
233.04271	3.6
235.07574	30.8
239.07002	11.1
243.05005	11.0
253.08585	29.7
255.10368	3.4
261.06055	18.2
263.07053	52.4
267.06467	3.0
281.08096	61.0
281.11081	2.2
291.06439	5.6
299.09009	5.9
309.07559	48.4
309.22623	3.1
327.08670	40.1
373.94650	2.4
445.20416	8.3
489.22818	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	489.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	15.0
53.03951	6.2
55.01873	4.1
55.05495	1.9
57.03430	7.1
61.02924	6.3
67.05506	4.0
69.03436	67.0
69.03815	3.2
70.06594	16.7
71.01357	5.7
71.05006	4.4
71.52867	4.1
72.08168	9.4
79.05502	2.9
81.03423	21.6
81.07093	3.0
84.04503	3.8
84.08158	7.9
85.02913	66.4
86.06026	2.0
86.09715	28.2
86.94219	1.8
87.04434	2.0
87.10043	2.3
91.05501	9.5
95.04980	4.6
97.02901	57.4
99.00825	62.4
99.04468	12.8
107.04968	70.3
109.02892	100.0
110.07178	4.2
110.40630	2.0
115.03957	2.6
115.05433	3.5
115.33295	2.1
117.01874	5.6
119.04948	15.2
121.02911	2.2
121.06463	2.6
123.04446	58.2
127.03934	75.3
129.10281	5.6
131.04939	3.1
135.04431	8.8
143.04959	3.0
145.04985	20.1
145.06511	9.4
147.04427	7.6
155.08507	2.7
159.64003	2.1
161.06030	5.5
163.03946	13.1
165.07011	12.2
177.05479	2.7
179.08549	4.7
183.02985	4.0
183.08098	11.8
185.16489	2.6
187.14417	2.4
189.05518	3.5
189.07043	5.1
193.06261	3.3
195.02936	10.7
201.12370	3.5
207.08063	23.5
211.07475	9.5
213.16042	3.7
215.13889	3.0
217.06673	2.7
219.05638	1.8
221.06004	2.6
225.03992	9.6
225.09245	2.7
228.07887	7.0
229.08633	48.3
229.11151	2.5
229.11925	2.6
233.04599	3.0
234.06909	2.7
235.07588	36.7
239.07004	14.8
243.05164	16.1
253.08636	29.8
255.10274	2.2
261.06116	19.7
263.07089	55.1
263.09778	2.0
267.06586	3.0
281.04971	3.4
281.08090	66.6
290.53476	2.1
291.06412	7.0
299.09247	6.5
309.07632	42.0
309.30347	2.0
327.08649	41.9
369.01273	2.0
377.01874	2.5
406.22440	2.1
445.20615	2.6
487.74667	2.5
489.22726	9.3
492.28458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	1.1
55.05514	11.3
57.03436	2.8
57.07059	1.6
57.88137	0.7
59.04994	2.0
60.45807	0.6
65.03938	2.2
67.05511	58.8
67.54333	0.7
69.06731	0.8
69.07072	8.7
71.04978	2.5
79.05499	20.2
81.03416	0.8
81.07061	26.6
83.04999	0.9
83.08627	7.4
85.06542	1.7
91.04908	0.9
91.05486	16.1
91.95421	0.7
93.07048	25.6
95.04973	1.1
95.08607	20.1
97.06535	1.9
97.10168	2.8
105.07039	16.0
107.08599	11.5
109.06505	0.8
109.10165	30.1
111.08105	2.3
117.07023	5.1
118.98019	0.8
119.08591	16.5
121.10141	9.0
123.08096	1.3
123.11717	1.4
129.07025	2.5
131.08582	9.1
133.10138	10.9
135.08159	0.9
135.11699	6.8
137.09604	2.2
139.11162	1.7
141.06989	1.2
143.08560	2.9
145.10107	7.7
147.11703	7.7
149.13284	2.8
153.49429	0.8
155.08598	1.2
155.10713	1.5
157.10123	3.3
159.11714	6.2
161.13246	4.0
163.14857	1.9
169.10107	2.0
171.11665	3.6
173.11765	8.7
173.13275	4.7
175.11079	0.8
175.14842	2.3
183.11748	1.6
185.13286	3.2
187.14819	4.4
195.11656	0.8
197.13319	1.5
199.14824	1.3
211.14833	1.8
213.14737	1.5
213.16568	1.4
241.19583	1.3
243.21158	1.4
259.20575	1.8
261.22189	2.4
273.22150	0.9
285.21933	1.5
287.23944	1.1
299.23846	1.2
317.24887	0.9
361.31332	0.9
377.26962	1.5
379.30066	4.6
397.31076	8.9
415.32083	3.1
471.15411	0.9
471.34821	8.4
489.35794	100.0
490.36200	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61403	0.4
55.96118	0.4
65.03932	0.5
69.03441	6.0
69.66946	1.1
69.67358	1.5
70.06594	0.5
72.08169	0.5
81.03468	0.4
85.02916	0.5
85.13495	0.4
85.73695	0.4
91.05487	4.5
94.77101	0.4
97.02893	0.6
98.20798	0.5
107.04910	0.4
107.08650	0.5
108.57159	0.5
116.24004	0.4
119.04960	15.6
124.07643	0.6
127.03941	3.6
142.87167	0.5
147.04431	100.0
148.04776	0.5
165.05522	1.9
231.06361	0.4
236.16600	0.5
239.06506	0.4
262.39914	0.4
277.33286	0.4
284.98041	0.4
291.08649	5.8
309.09726	8.7
311.34485	0.4
320.66504	0.4
323.15359	0.4
377.58606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29405	0.3
65.03930	0.7
67.05499	0.4
69.03086	0.5
69.03434	7.5
69.82777	0.3
70.29957	1.1
71.51500	0.3
74.09716	0.3
75.05336	0.3
81.07062	0.6
84.72431	0.3
85.02903	0.8
85.87822	0.3
86.09724	0.4
91.05488	6.9
97.02912	1.1
99.04411	0.3
105.07029	0.4
109.02859	0.5
119.04949	17.2
119.08596	0.5
123.04362	0.3
126.37766	0.3
127.03941	3.2
137.09615	0.5
145.02849	0.4
147.04419	100.0
148.04742	0.6
165.05453	2.3
165.09111	0.6
173.06035	0.4
177.05476	0.7
180.10681	0.3
274.84961	0.3
282.49756	0.4
291.08591	3.7
291.70685	0.3
301.43073	0.3
309.09720	6.8
386.32303	0.4
390.88882	0.3
428.81876	0.3
490.23196	0.3
490.34073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99572	0.5
55.05518	11.7
57.03441	0.9
57.07069	2.3
61.02923	0.9
65.03938	1.4
66.92019	0.7
67.05512	0.9
69.03427	2.9
69.28150	5.1
70.06587	1.1
71.04969	0.8
73.06565	7.3
81.03419	0.9
81.07099	0.8
85.02918	4.2
87.08118	9.9
91.05489	1.2
93.07031	1.0
96.90616	0.7
97.02907	1.3
98.21547	1.1
109.02950	0.8
121.02858	2.5
121.06421	0.7
122.28740	0.7
127.03951	1.0
129.07062	1.1
131.08580	1.5
145.04988	0.8
145.52504	0.7
147.04407	1.1
149.02357	100.0
161.06017	3.4
163.03935	4.1
165.05490	0.7
175.07559	10.9
185.06058	0.6
193.05046	2.8
197.04541	2.1
203.07042	13.2
211.06026	25.5
221.08113	7.8
265.10614	3.6
267.12051	1.2
275.12811	6.9
293.13855	55.9
297.13416	0.9
343.72272	0.7
344.02582	0.7
373.11313	3.7
427.16089	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	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00800	0.4
53.03939	0.9
55.01862	0.9
55.05494	1.0
57.02443	0.4
57.03431	1.1
61.02925	2.7
67.01855	0.5
67.05482	0.7
69.03428	6.3
70.06596	1.1
71.04976	1.1
73.02917	1.1
79.05461	0.7
81.03423	3.0
81.07069	0.9
83.01338	1.3
83.08626	0.6
84.04498	0.6
84.08131	0.6
85.02908	16.5
85.03986	0.7
86.09734	1.0
87.04471	1.2
91.03950	1.6
91.05478	0.7
93.07041	1.0
95.04960	1.0
95.08597	0.5
97.02885	5.2
97.10168	0.5
98.20772	1.6
99.04446	1.3
100.11246	1.2
107.08584	0.7
109.02902	2.1
111.04437	0.5
115.03874	0.6
119.08537	0.7
121.10172	0.6
123.04436	2.9
127.03948	2.8
130.05016	0.6
131.08554	0.6
133.02898	0.8
135.04399	0.5
145.04971	2.9
147.04311	0.5
151.03906	5.8
163.03909	1.3
163.06062	0.6
169.04979	11.3
177.05449	0.7
179.03397	17.6
184.07265	0.5
193.04855	0.6
197.04460	100.0
198.04822	0.7
210.14946	0.8
211.05954	0.6
229.54170	0.5
237.00662	0.5
237.02859	0.5
255.89923	0.4
267.12283	77.0
268.12704	1.0
328.08408	0.5
429.17554	11.4
472.23740	0.6
490.34576	0.9
510.43106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01864	12.1
55.05515	27.6
56.05032	5.2
57.03424	11.9
57.07063	4.2
58.73586	3.0
58.99575	8.3
59.15340	2.9
61.02920	5.3
65.03934	4.3
66.90346	3.1
67.05505	67.7
69.03429	24.8
69.07078	42.4
69.41271	26.3
70.46080	3.7
71.04993	8.4
76.02220	15.7
78.19660	3.1
79.05495	52.3
81.03414	23.1
81.07062	86.4
83.04987	16.8
83.08633	18.5
83.18707	3.1
84.04510	10.7
85.02912	34.2
85.06534	8.9
86.99019	6.2
87.02666	3.8
91.05488	47.5
93.07052	53.6
95.04964	17.9
95.08612	50.3
97.02891	16.1
97.06522	13.5
97.10138	12.9
98.21574	7.3
99.04453	6.3
99.08090	5.6
102.05501	3.9
103.05468	3.5
105.04477	4.8
105.07033	46.4
106.75567	3.3
107.04951	11.5
107.08614	38.4
109.02910	3.8
109.06493	9.7
109.10179	23.5
111.04435	3.9
111.08102	9.5
116.01693	12.5
117.07016	15.2
119.08575	41.0
121.06503	9.5
121.10114	25.1
123.08070	11.4
123.11709	8.9
125.04240	4.1
125.09612	7.2
127.03918	18.5
130.04938	5.5
131.08591	17.8
133.10110	32.9
135.08023	11.4
135.11708	34.5
135.20253	3.3
137.09627	8.1
143.08649	5.8
144.01111	6.4
145.04941	8.4
145.10129	18.2
147.11688	18.8
149.09601	18.3
149.13237	17.8
157.10115	9.7
159.11719	22.6
161.13246	7.6
162.02199	12.8
163.11183	11.3
165.12685	4.7
171.11694	4.4
173.13304	7.0
177.12671	9.2
179.04791	4.6
181.12242	41.7
182.19127	4.6
195.13824	45.4
199.13364	17.6
207.13776	4.2
213.14862	14.5
214.53439	3.2
229.14043	3.3
235.16951	4.4
237.14816	4.7
239.17912	4.3
240.17679	8.4
240.19897	3.8
246.14870	10.4
247.20500	4.7
249.14928	6.6
257.18945	10.9
258.18814	8.3
265.21475	3.8
275.20087	100.0
293.21140	23.6
303.15958	6.0
321.16971	5.8
339.18130	3.5
343.20529	65.4
415.22849	5.0
455.26865	4.0
472.27130	5.9
511.77051	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	490.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01638	1.9
53.03944	4.0
55.05504	7.3
62.97607	1.8
65.03935	3.0
67.05510	17.2
68.05016	8.3
69.07054	6.1
70.06594	36.9
71.04975	2.5
79.05507	22.5
80.05016	8.5
81.07064	29.6
82.06567	5.9
84.08151	2.6
91.05488	32.4
93.07047	33.4
94.06582	3.0
95.04980	21.5
95.08604	16.7
96.08120	8.1
98.06037	2.0
100.07628	32.0
103.05490	2.4
105.07037	57.9
106.06535	4.7
107.08588	22.4
108.08099	6.2
108.08855	1.8
109.10148	12.1
114.05543	15.1
115.05466	4.6
116.07114	11.1
117.07034	14.7
119.08592	51.0
120.08119	12.5
121.10157	26.6
122.09679	3.4
123.08096	2.2
123.11693	3.4
128.06218	6.9
128.07082	52.6
129.06993	14.6
130.07776	8.3
131.08583	25.1
133.09183	3.0
133.10126	19.6
134.09645	5.6
135.11699	9.1
136.11226	4.9
141.07007	4.9
142.07721	9.6
143.08583	27.0
144.09358	5.1
145.10117	39.5
146.09634	3.3
147.10590	2.4
147.11699	11.8
148.11224	15.8
153.07004	3.0
154.07576	2.1
154.08661	22.6
155.08531	10.2
156.09299	15.4
157.10141	28.9
158.10924	4.6
159.11662	12.6
160.11224	5.2
161.13239	4.0
165.07008	3.9
166.08810	3.0
167.08557	5.8
168.10371	9.9
169.10115	20.7
170.10960	3.3
171.11700	12.4
172.11226	3.5
173.13307	9.1
174.12798	3.6
175.14839	5.3
178.08664	6.4
179.08562	5.2
180.09271	2.9
181.10172	6.7
183.11684	20.1
184.11122	3.0
185.13257	4.6
186.12703	3.4
187.14880	2.4
192.10172	3.9
193.10141	4.1
194.11877	23.9
195.11711	6.9
196.12529	4.1
197.13321	8.4
198.12708	2.5
199.14890	3.7
200.14354	2.9
201.16345	2.4
206.11777	3.3
207.11809	2.2
209.13295	14.3
211.14810	8.1
212.14394	3.7
218.11757	7.4
219.12564	2.8
220.13229	3.6
221.13292	3.2
223.14879	3.9
226.15901	4.6
230.11821	3.5
232.13300	4.2
233.13596	1.9
235.14795	5.2
237.16444	3.5
238.15942	2.4
244.13379	2.4
246.14723	2.2
256.13419	3.7
258.14984	4.6
260.16464	8.1
270.15060	2.7
271.15540	4.0
284.16479	8.7
301.19543	2.2
352.22964	3.1
362.64661	2.0
380.25861	34.4
384.25330	2.5
398.26904	78.8
411.27863	2.5
428.32971	3.0
472.32184	55.9
490.33176	100.0
518.19989	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03940	9.9
55.01868	6.6
55.05512	31.8
56.24938	5.6
56.99054	5.1
57.03426	18.1
67.05508	49.1
69.07057	13.9
69.22428	55.4
69.22726	4.7
71.05003	5.8
78.70391	6.4
79.05498	68.8
81.03436	54.0
81.07060	64.6
83.08603	21.9
85.02912	8.1
91.05488	92.3
93.07039	53.7
95.04983	32.7
95.08601	30.3
97.10160	19.8
105.07047	58.1
107.04961	13.0
107.08570	22.4
109.06482	11.5
109.10162	13.0
111.08073	9.4
115.07639	5.6
117.07010	24.2
119.08581	32.1
121.06486	7.3
121.10149	6.1
123.11681	21.1
124.99290	5.3
125.09584	9.7
127.62483	4.7
129.06993	20.0
131.08554	12.8
131.21786	5.1
133.10089	21.3
143.08574	19.1
145.10115	20.6
147.08040	6.9
147.11667	17.3
157.10100	11.6
161.09558	6.7
171.11702	18.3
175.11185	12.5
187.13326	6.0
189.12749	11.7
193.12250	14.1
207.13808	17.0
227.12788	9.9
243.15887	8.3
249.14746	15.5
267.15976	47.7
281.17490	45.5
381.24249	7.4
399.25223	14.8
417.26801	6.3
455.27872	8.9
473.29062	100.0
491.29910	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03948	4.4
55.01878	6.9
55.05512	26.6
57.03440	7.5
57.07065	1.7
63.25942	1.7
64.24704	1.6
67.05509	41.5
69.03432	3.7
69.07079	14.0
69.41949	12.8
71.04986	13.9
75.36285	1.8
79.05495	44.0
81.03438	10.2
81.07058	42.9
83.05000	7.7
83.08631	6.9
85.02914	3.8
85.06548	2.9
91.05482	32.8
91.44734	1.7
93.07055	39.7
95.04977	15.9
95.08611	21.0
97.06559	7.6
97.10157	20.1
103.05553	1.9
105.07031	21.6
107.04964	35.0
107.08591	19.1
108.08139	3.1
109.02956	2.0
109.06518	18.2
109.10165	15.4
111.08105	2.5
117.07030	14.2
119.04916	2.6
119.08596	17.4
119.09257	1.7
121.02878	2.7
121.06515	30.6
121.10146	21.5
123.08083	4.9
123.11730	9.9
125.05985	2.7
125.09638	13.4
129.07050	11.2
131.04935	4.7
131.08575	21.4
131.09410	2.3
133.06546	4.6
133.10165	9.3
135.08012	8.9
135.11806	3.4
137.06015	3.0
137.09602	13.4
141.07005	5.0
142.07713	1.6
143.08592	5.5
145.06490	12.3
145.10129	10.1
147.08075	7.8
147.11757	5.6
149.09666	7.9
155.08528	4.0
157.06557	2.6
157.10184	5.7
159.08095	5.6
159.11725	2.6
161.06021	2.6
161.09712	4.7
163.11285	5.4
165.09129	100.0
167.10762	5.5
169.10146	3.9
171.08035	3.9
171.11653	3.7
173.09686	2.5
173.13341	4.2
175.07579	2.5
175.11198	4.6
181.10121	2.6
183.11757	2.8
185.09671	3.6
185.13304	2.6
187.11237	2.7
189.11301	7.3
189.12830	2.2
191.14371	4.5
193.12236	3.4
195.11752	2.6
197.09714	2.7
199.11365	2.2
199.13300	4.9
205.12491	2.2
219.13762	12.3
227.12659	2.4
231.13794	2.3
233.15375	4.6
237.12854	2.9
247.17171	3.1
249.14990	5.9
255.13622	1.9
257.15683	2.0
273.14926	8.3
275.16458	6.9
287.16605	2.9
300.19638	12.2
329.17365	5.6
339.23230	3.2
349.21671	10.8
357.24454	4.5
367.22672	25.2
385.23767	28.8
388.65155	1.8
403.24963	5.3
417.26483	3.6
423.25595	2.2
441.26712	7.3
459.27411	94.0
473.28909	6.1
491.23538	5.4
491.30246	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21347	1.6
53.38084	1.6
54.56581	1.6
55.05513	2.7
57.03435	2.2
61.02920	2.9
64.48994	1.4
66.14682	1.8
67.05497	3.9
69.03435	2.0
69.07077	4.0
70.06593	2.9
70.21950	4.2
76.02222	4.5
79.05470	2.2
81.03404	4.1
81.07093	9.6
84.04472	1.6
85.02906	4.2
86.09705	3.8
91.05476	4.5
93.07038	4.2
95.04958	2.9
95.08611	4.4
97.02880	2.3
99.02602	1.8
107.08606	5.2
109.06478	2.3
109.10162	4.7
119.04952	5.6
120.08073	1.9
121.06533	2.4
121.10141	3.4
123.04440	21.1
123.08064	1.8
126.05499	1.8
131.08620	2.8
133.06416	1.9
133.10124	6.1
135.04407	2.1
136.51027	2.1
145.02852	1.9
147.04424	19.1
151.03906	76.1
154.08665	2.8
162.02214	3.1
163.03859	2.3
163.56393	1.9
165.05482	10.3
177.05476	7.2
177.09102	2.7
179.04765	1.9
201.05602	1.9
204.31493	1.9
219.10181	100.0
286.17017	2.3
288.63269	1.9
328.68195	2.7
330.26398	2.0
333.35269	1.9
371.14890	43.3
474.25101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.05508	6.1
55.21517	1.7
59.76548	1.6
67.05491	5.6
70.80396	1.6
72.41356	1.6
79.05483	6.3
81.03432	2.0
81.07047	5.5
83.04975	1.9
83.08622	1.8
89.03901	1.8
91.05477	23.7
93.07049	20.2
94.04169	1.9
94.07343	2.0
95.04977	6.5
95.08634	3.1
97.10183	3.9
101.58791	1.6
103.05477	16.5
105.04523	2.0
105.07006	4.2
107.04950	5.1
107.08622	3.2
109.06550	2.4
115.05441	2.3
117.07019	2.2
119.04921	7.7
119.05711	1.5
121.06513	75.5
121.07391	3.7
121.10162	1.8
122.03664	4.0
126.34695	1.8
133.06505	2.9
133.10101	2.5
137.05981	69.2
137.83878	1.8
138.09204	2.2
143.04895	4.0
145.02879	2.6
146.03680	2.2
147.04402	20.8
149.06003	3.5
151.03899	2.4
158.03690	2.0
161.05998	9.1
162.06778	4.0
162.47226	1.6
170.43828	1.6
173.05972	5.6
175.03981	2.6
175.07550	3.9
177.05469	6.7
177.06882	2.1
178.07896	1.7
186.03145	4.5
189.07014	3.6
201.05479	49.7
205.06590	8.7
206.07298	5.7
213.05453	5.9
217.06546	4.5
218.07324	2.1
219.08289	3.7
220.05446	2.1
220.14226	2.4
221.05931	2.0
222.06793	4.0
231.06357	3.3
233.05946	11.4
234.06772	18.3
235.07571	4.4
237.09096	6.5
245.06035	6.8
247.07510	6.4
248.08289	2.6
249.05461	2.9
249.09241	8.5
250.06285	9.2
251.07031	3.5
261.05472	3.3
262.06259	15.5
263.06985	6.2
264.07727	5.1
265.08600	20.0
266.09570	2.1
267.06433	2.2
273.05408	3.6
275.06860	4.3
277.08588	21.5
278.05713	3.5
279.10059	3.4
282.08826	2.1
287.06921	3.1
290.05756	22.2
292.07309	8.0
293.08054	19.4
294.08844	5.2
295.09641	2.0
297.11407	2.7
305.08102	36.8
307.06201	3.3
307.09576	22.6
309.11118	2.4
310.08203	4.7
319.09671	2.7
322.08344	5.2
325.10739	100.0
337.10718	60.8
355.11835	9.3
462.19174	69.2
492.20193	37.2
492.26782	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	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05511	8.8
56.05029	0.7
57.03444	5.9
57.07057	1.7
58.06600	19.7
65.03934	1.0
67.05505	21.6
69.07069	15.1
70.06570	0.4
71.04974	1.0
71.08644	0.9
71.53169	0.8
79.05503	6.7
81.07056	22.7
83.04969	0.8
83.08159	0.5
83.08624	7.0
86.75015	0.4
88.29876	0.4
91.05487	4.9
93.07042	5.9
95.08611	18.2
97.06512	1.7
97.10176	3.3
99.08037	0.5
105.07047	3.5
107.08597	4.1
109.10158	6.0
111.08073	0.6
111.11671	0.6
113.01352	0.4
119.08589	2.7
121.10143	2.4
123.11706	1.9
133.10115	2.6
135.11688	1.4
137.13254	1.2
147.11693	1.3
149.13199	1.0
156.04179	3.9
161.13301	1.0
163.14743	0.6
175.14879	0.5
222.27966	0.4
257.43213	0.4
263.23596	0.8
311.47583	0.4
337.27362	100.0
338.27606	1.4
406.79300	0.4
410.76645	0.4
474.29126	0.6
487.42807	0.5
492.32855	1.6
497.55969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81578	0.1
51.02386	0.1
53.03960	0.4
55.01880	0.5
55.05519	1.3
57.03442	0.6
57.62541	0.1
65.03956	1.2
67.05508	2.4
69.03429	0.5
69.07079	0.6
70.80332	0.3
71.05011	0.2
76.56479	0.1
79.05500	2.1
79.05931	0.3
81.03429	2.7
81.07069	2.1
83.04999	0.6
83.08620	1.1
85.02930	0.8
86.09724	0.2
91.05491	14.1
93.07058	1.7
95.04987	1.5
95.08609	0.8
96.92068	0.2
97.02917	0.4
97.06540	0.5
97.10168	0.7
99.04506	0.2
100.11286	0.4
103.05449	0.2
105.07047	1.3
107.04984	1.1
107.08611	1.0
109.02885	0.6
109.06532	0.5
109.10169	0.4
111.04447	0.6
111.08121	0.3
111.95821	0.2
117.07021	0.8
119.04958	27.6
119.08575	1.1
121.02885	0.2
121.06516	1.0
121.10155	0.9
123.04468	0.4
123.08160	0.2
123.11745	0.3
125.09625	0.7
127.03999	0.3
129.07007	0.4
131.08553	0.8
133.06528	0.2
133.10199	0.8
135.08086	0.4
135.11725	0.9
136.06299	0.1
137.06006	0.5
137.09663	0.2
139.03931	0.2
140.10739	0.5
141.07103	0.2
143.03387	0.2
143.08585	0.2
145.06573	0.2
145.10132	0.8
147.04425	100.0
147.11678	0.5
148.04800	0.6
149.02364	0.2
149.09615	0.5
153.09158	0.1
153.12695	0.2
157.10115	0.5
159.11699	0.2
163.11220	0.9
165.05484	0.6
165.09099	0.3
165.12825	0.2
167.03403	0.5
168.10248	0.3
173.09650	0.3
175.11221	0.5
181.12234	0.2
182.15411	0.6
182.86389	0.2
184.07344	0.8
185.04489	3.9
185.05971	0.1
189.09277	0.1
189.11241	0.5
191.10693	0.3
191.73073	0.2
193.12253	1.0
197.09624	0.2
201.05484	0.2
208.08829	0.2
209.11682	0.7
209.77940	0.2
210.14879	0.8
211.13309	0.3
227.12833	0.8
249.14934	0.5
259.13431	0.2
265.14169	0.3
267.15991	0.9
283.15460	0.6
284.23361	0.3
291.08676	1.4
306.08313	0.3
309.09659	0.5
325.10892	0.2
326.11060	0.4
338.10983	0.3
355.22614	0.3
365.21271	0.3
373.23471	0.2
383.22180	0.8
388.32993	0.2
401.23361	1.0
403.02838	0.2
419.24268	0.4
436.31647	0.2
447.26978	0.2
457.25797	0.4
463.19186	0.6
475.26935	2.0
493.27722	4.3
493.37219	1.0
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
53.03943	0.3
55.05501	0.4
57.03445	0.2
65.03929	1.0
67.05518	0.8
69.03432	1.0
69.07083	0.2
70.77707	0.4
74.43301	0.1
79.05502	0.6
81.03419	3.6
81.07047	0.5
83.05029	0.2
83.08617	0.2
85.02916	1.1
87.33949	0.1
91.05486	8.8
93.07042	0.5
95.04965	0.7
95.08601	0.4
97.02885	0.5
97.10187	0.2
99.04469	0.4
105.07044	0.5
107.05003	0.2
107.08579	0.4
107.23683	0.2
109.02891	1.2
109.05012	0.1
109.10150	0.2
119.04950	21.3
119.08573	0.3
121.06495	0.3
121.10142	0.3
123.04420	0.3
125.09571	0.2
127.03928	0.3
129.07069	0.2
131.08583	0.3
133.06497	0.2
133.10126	0.2
135.08073	0.2
135.11710	0.2
145.06482	0.1
145.10143	0.3
147.04417	100.0
148.04753	0.4
151.11127	0.2
163.11125	0.2
165.05493	3.9
165.06888	0.2
167.03386	0.3
168.69629	0.1
173.09627	0.2
185.04488	1.2
209.11763	0.3
227.12729	0.2
249.07356	0.1
264.91486	0.1
267.15988	0.2
286.81915	0.1
291.08640	4.6
299.05402	0.2
302.63025	0.1
309.09720	2.6
326.11142	0.2
331.07883	0.2
383.21918	0.2
401.23145	0.4
457.25870	0.3
463.19098	0.1
475.26871	0.7
493.28162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81401	0.1
65.03952	1.0
65.04237	0.2
67.33580	0.1
69.03088	0.3
69.03438	4.8
70.82952	0.4
81.03411	0.5
85.02920	0.4
90.62852	0.1
91.05495	8.1
95.04949	0.1
97.02908	0.7
99.04473	0.3
109.02900	0.5
119.04961	20.0
127.03931	2.5
139.03954	0.2
147.04428	100.0
148.04840	0.2
149.02382	0.6
165.05522	2.0
167.03354	1.2
176.97139	0.2
185.04472	6.0
209.04489	0.5
219.02956	0.3
231.06683	0.2
237.04008	0.4
291.08630	3.5
309.09760	3.9
311.07568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
61.04353	0.2
62.34525	0.1
62.97364	0.1
63.72603	0.1
64.38574	0.1
65.03945	1.6
66.32269	0.1
69.03082	0.2
69.03434	2.9
70.04063	0.4
70.04436	0.2
72.26187	0.1
81.03448	0.7
85.02913	0.3
91.05488	11.9
95.05029	0.2
97.02916	0.3
98.20889	0.2
99.04436	0.2
105.25513	0.1
109.02876	0.3
119.04951	27.3
121.02850	0.4
127.03931	1.3
136.01637	0.1
139.03918	0.4
147.04420	100.0
148.04732	0.5
149.02371	0.6
165.05499	1.1
167.03397	2.1
185.04468	11.3
196.24066	0.1
209.04506	0.4
291.08655	1.5
309.09766	1.2
316.83716	0.2
395.90128	0.2
403.16699	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01865	0.9
57.03436	0.4
61.02913	0.7
65.03940	1.1
65.34391	0.3
69.03086	0.4
69.03432	5.4
70.55416	0.5
70.55775	0.7
71.86397	0.3
73.02912	0.4
74.02564	0.3
81.03413	1.3
85.02911	3.7
86.09714	0.5
91.05485	7.8
95.04976	0.9
97.02901	1.9
99.04459	0.3
109.02893	1.1
115.89052	0.3
119.04950	20.3
120.08096	1.2
121.02856	0.4
125.02350	1.0
127.03920	2.4
130.94473	0.3
145.04977	0.7
147.04416	100.0
149.02310	1.0
153.01801	1.1
158.76596	0.3
163.03917	0.4
165.05496	1.6
167.03394	1.6
185.04468	6.1
195.02885	3.0
204.76157	0.3
209.04536	0.6
221.45197	0.3
229.05061	0.5
237.03993	0.5
247.06036	26.2
291.08655	3.1
309.09760	3.4
317.06674	0.5
331.08105	0.8
409.11343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Coccinoside A
Peak:m/z	Relative Intensity
53.03921	1.3
53.04153	0.5
55.01860	1.2
55.05485	0.5
55.34429	0.5
57.03412	2.0
57.92245	0.5
61.02935	3.8
67.05471	0.9
69.03432	7.6
69.56284	2.1
70.06564	0.6
71.04985	1.0
73.02903	1.0
77.24980	0.5
79.05457	0.9
81.03423	3.8
81.07050	0.7
85.02909	23.1
86.09678	0.5
87.04464	1.0
91.03922	1.7
91.05468	0.6
95.01363	0.5
95.04948	1.7
97.02294	0.6
97.02901	8.4
98.20628	0.4
99.04424	1.0
102.76846	0.5
105.07032	0.9
107.04951	0.8
109.02890	2.6
111.04443	0.6
113.02335	1.1
119.04926	1.2
121.02142	0.7
121.02885	8.5
123.04401	0.9
125.02303	1.0
127.03904	4.4
131.04895	0.6
137.02307	1.6
137.05957	1.9
139.03864	0.8
145.04964	3.2
147.04420	8.6
149.02351	5.8
151.03879	1.6
152.04251	0.5
153.01807	1.3
157.06514	0.5
159.04434	0.8
161.05983	0.5
163.03926	0.6
165.01894	1.0
167.03415	12.4
169.01303	0.8
169.06494	1.2
173.02319	1.1
175.07500	0.5
177.01776	1.0
187.03928	0.6
187.07567	0.7
191.03406	0.5
193.01335	7.6
195.02913	8.0
197.04401	0.6
197.06001	4.1
203.03362	0.4
209.04482	0.9
211.02385	52.1
215.07025	1.7
219.02875	3.0
219.10165	1.7
220.10652	0.7
225.05498	2.8
229.03265	0.9
237.03949	7.4
243.06566	5.3
247.05989	2.6
253.04982	4.8
271.06049	8.7
289.07071	100.0
295.05957	0.9
313.07037	3.9
329.18314	0.6
331.08130	68.4
332.08383	0.7
372.15283	0.8
431.01758	0.5
493.24374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82384	2.8
53.41241	3.2
55.01862	4.2
57.03428	6.6
60.04509	6.4
61.02927	8.4
69.03438	15.0
69.22215	6.8
69.22612	25.7
70.06579	12.9
72.08141	3.1
73.02906	3.6
76.02226	6.4
79.05476	2.8
81.03416	8.8
81.07040	4.0
84.04523	3.7
85.02909	62.6
86.09679	4.5
91.05521	3.5
97.02892	19.4
98.09706	5.0
99.04450	3.3
103.03943	5.9
103.05473	2.6
106.05025	5.3
107.04925	3.6
109.02879	10.1
116.01692	3.6
116.07104	3.3
119.04946	3.4
120.08115	8.5
123.04404	9.5
127.03943	14.6
144.01239	3.0
145.05020	16.2
145.06479	23.5
147.04417	15.8
151.03903	28.5
155.06024	3.9
159.69542	3.6
161.05928	5.1
163.03934	9.1
165.05469	8.5
169.01341	6.1
169.04987	100.0
171.04419	33.2
175.03896	6.8
181.04959	27.1
189.05479	53.3
192.42084	2.8
193.04973	90.9
193.06755	4.7
197.04434	7.3
198.04718	6.2
205.04988	7.7
207.06538	17.0
211.06042	64.4
217.04918	4.9
219.02892	5.5
219.06641	3.5
229.04944	8.8
231.06560	3.7
235.06013	46.7
237.03969	32.1
247.06018	38.1
259.06012	21.5
259.11090	11.7
265.07047	9.2
277.07156	20.8
295.08276	20.9
313.06622	8.6
313.09698	6.3
331.10074	5.6
346.14346	3.3
493.18741	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	493.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49160	1.6
51.11349	1.5
52.47355	1.4
52.99092	1.4
53.03946	2.6
53.52300	1.6
55.01873	2.2
55.05271	2.3
55.05516	30.9
57.03434	4.9
57.07066	3.9
65.03941	2.5
67.05511	62.7
69.03433	2.2
69.06730	2.4
69.07073	29.4
71.04984	6.6
71.12842	4.0
79.05504	34.1
81.07063	97.7
83.04975	6.1
83.08624	22.2
85.06539	6.6
91.05485	31.7
93.07043	34.1
95.08616	100.0
97.06556	11.9
97.10168	12.1
98.98434	2.3
99.08098	4.2
103.14716	1.6
105.07037	28.6
106.13489	1.7
107.08603	20.3
109.06514	2.8
109.10164	25.9
111.08089	4.8
113.09647	2.7
117.07030	3.6
119.08598	38.6
121.06520	1.7
121.10152	21.2
123.08088	5.7
123.11737	10.3
125.09640	2.6
127.07527	1.8
131.08568	7.1
133.10159	20.2
135.08157	1.8
135.11723	17.4
137.09595	4.5
137.13283	13.7
139.11182	2.9
141.09189	2.5
143.08525	2.9
145.10136	6.2
147.11722	4.6
149.13287	5.0
150.59644	1.7
151.11200	3.1
159.11700	6.2
161.13274	44.9
163.11227	2.4
163.14865	2.3
165.12814	1.8
173.13319	2.2
179.14345	19.8
181.12311	2.9
187.14899	3.0
191.14339	2.4
243.21021	5.1
261.22171	15.2
266.50119	1.6
269.36435	1.7
270.72330	1.8
279.23227	26.7
297.24316	4.7
339.29062	4.5
439.35965	3.6
457.36865	10.6
475.38004	5.1
493.38959	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91924	1.2
53.03942	5.0
55.01885	6.1
55.05508	2.5
56.96572	1.1
57.03433	3.5
61.02931	3.2
65.03947	1.9
67.05511	6.7
68.05846	1.3
68.99812	1.0
69.03448	10.7
69.07065	1.4
71.05000	3.2
73.02918	3.8
76.98602	1.0
77.37542	1.1
79.05511	5.5
80.05821	1.9
81.03420	15.9
81.07079	7.0
81.50697	1.1
82.07423	1.3
83.05025	1.6
83.08613	1.7
84.70200	1.1
85.02438	1.8
85.02918	26.1
86.09699	2.1
87.00846	12.4
91.05494	100.0
93.07063	5.8
95.04996	3.5
95.08611	3.5
97.02906	31.6
99.04480	6.7
105.01871	11.7
105.07019	3.2
107.04955	2.8
107.08598	3.3
109.02895	9.9
111.04494	1.2
117.01865	1.7
117.07019	2.0
119.08599	2.0
120.08900	1.7
121.02872	1.1
121.06483	1.2
121.10179	1.8
122.90254	1.2
126.37366	1.2
127.03928	27.9
129.01884	1.4
130.07335	1.3
132.08939	1.5
133.10155	1.9
135.11815	1.7
145.04985	19.5
145.10132	2.1
147.04440	2.8
148.61812	1.2
151.07460	1.1
157.10132	1.6
158.10509	1.3
159.02901	10.4
163.11183	1.3
165.09117	1.8
184.07349	2.4
191.10645	1.2
193.12280	1.9
227.12810	2.0
228.13309	1.2
229.08582	3.1
231.05016	4.5
267.15967	3.0
399.71640	1.3
402.23752	1.6
456.44537	1.4
476.27017	5.1
485.20471	2.1
494.21512	1.7
494.28015	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	494.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01866	5.7
55.05516	28.8
57.03443	4.5
60.82823	2.2
67.05518	22.0
69.03414	4.8
69.07063	8.7
71.04979	2.2
71.52908	2.7
71.53271	2.2
79.05496	31.5
81.03398	2.0
81.07063	21.3
83.05003	2.8
83.08632	15.4
91.05489	26.2
93.07046	16.4
95.04958	2.7
95.08604	8.9
97.06532	2.9
97.10173	31.9
103.05489	13.2
105.07025	19.6
107.04969	4.0
107.08595	13.6
109.10157	6.9
111.08040	3.1
115.05456	5.7
117.07028	40.1
117.62160	2.2
119.04933	2.6
119.08585	11.8
121.10155	5.9
125.09618	24.4
128.06244	2.7
129.07007	16.9
131.08568	23.5
133.06474	6.0
133.10159	4.0
135.08060	4.6
141.07011	7.2
143.08537	7.4
145.06476	8.0
145.10124	7.5
147.08049	4.4
149.09686	3.3
153.09050	3.8
155.08591	11.1
157.06456	2.4
157.10178	3.0
159.08040	3.6
159.11705	3.7
169.10141	6.7
171.10315	3.1
171.11700	5.8
173.13268	2.4
181.10129	4.2
185.09698	2.4
185.13318	3.5
187.14798	5.6
189.11263	10.1
197.13354	12.2
215.14320	46.6
219.48064	2.1
227.12791	31.3
240.32176	2.0
339.23135	2.3
349.21634	7.7
367.22726	16.3
385.23627	12.5
393.64352	2.4
403.24780	3.5
441.26413	55.0
459.27460	100.0
477.28342	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	494.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
55.42616	0.3
56.05022	0.7
56.68746	0.2
57.03418	0.3
57.07082	0.3
58.06628	0.6
60.07889	0.4
60.08170	5.4
67.05517	1.3
69.07072	0.6
70.06593	0.6
71.07384	2.5
72.11244	0.2
79.05465	0.6
81.07083	1.2
83.08626	1.0
86.09718	29.5
88.07611	0.3
91.05476	0.7
92.95482	0.2
93.07065	0.5
95.08614	0.5
97.10161	0.7
98.98476	2.7
102.09190	0.4
103.05518	0.4
104.10755	2.8
105.07031	0.5
107.08591	0.6
109.10133	0.5
117.07015	0.7
119.08620	0.5
121.10125	0.4
125.00024	19.4
125.09652	1.0
131.08597	0.5
133.10063	0.3
135.11714	0.3
145.06563	0.2
149.02354	1.3
152.86035	0.2
184.07365	100.0
185.07581	0.3
193.04990	1.4
197.13196	0.4
200.20189	0.3
215.14378	0.8
227.12772	0.8
237.07590	1.4
260.36646	0.2
284.29611	1.0
324.45300	0.3
441.26520	1.4
459.27438	1.9
476.31448	0.8
494.33606	4.7
499.16644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03002	0.1
55.05515	0.7
56.05035	0.4
57.03434	0.5
58.06363	0.3
58.06635	0.5
60.08167	5.6
67.05508	0.5
69.07065	0.5
70.06585	0.2
71.07381	2.5
71.52247	0.2
79.05497	0.4
81.03419	0.2
81.07071	0.5
83.08630	0.5
86.09709	27.9
88.07645	0.3
93.07047	0.5
95.08607	0.4
97.10197	0.2
98.23773	0.2
98.98466	2.5
102.09179	0.2
104.10753	2.4
105.07043	0.3
106.71564	0.1
107.08617	0.2
119.08595	0.2
121.10146	0.2
125.00011	20.1
125.91322	0.2
149.02312	0.7
160.34903	0.2
184.07347	100.0
185.07712	0.3
193.04962	0.5
237.07553	1.1
284.29623	0.8
311.25806	0.2
383.77515	0.2
459.27368	0.4
476.31424	1.5
477.28201	0.3
494.32831	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03434	1.3
58.99565	0.3
63.65391	0.2
65.03947	0.2
65.81198	0.2
67.01859	0.2
68.99792	1.5
69.03415	0.3
70.06580	0.8
70.18735	0.8
71.01357	2.0
71.05003	0.3
72.08158	0.5
73.02562	0.3
73.02927	3.7
75.04482	0.2
81.03416	0.2
81.07044	0.4
84.04488	0.8
84.08147	0.5
85.02911	9.0
86.09699	0.8
95.01340	1.3
95.04953	0.3
97.02287	0.2
97.02882	0.6
97.03493	0.2
98.09707	0.2
98.21547	0.2
99.00813	0.6
101.02370	0.8
101.10796	0.2
101.54327	0.2
103.03967	0.6
107.04925	0.2
109.02909	0.4
111.00796	1.0
113.02381	4.7
116.01689	0.3
120.08093	0.8
121.02862	0.5
123.04446	0.4
125.02345	0.7
126.03162	0.6
127.03905	0.7
130.04980	0.3
131.03410	2.2
133.02841	0.2
136.07661	0.2
137.02359	2.5
137.05986	0.4
139.00252	0.2
139.03911	0.5
141.01834	1.7
147.04422	0.2
149.02342	0.3
151.03903	0.3
153.01837	6.4
159.02916	2.1
165.01843	4.3
166.02686	0.3
167.03377	0.3
169.01326	2.1
171.04359	0.3
175.00967	0.2
175.03908	0.3
177.05498	0.4
179.03410	2.4
179.04886	0.3
181.01315	0.6
182.05659	0.2
183.02895	0.4
189.05496	0.7
192.17285	0.2
193.01328	0.3
193.04990	0.3
195.02916	2.2
199.03940	0.7
203.03384	1.2
207.02904	1.9
217.05042	1.3
218.10294	0.2
221.04468	0.6
227.03380	0.4
229.04837	0.4
231.02818	0.3
232.03658	0.7
235.02199	0.3
245.04489	4.4
249.03905	0.3
255.02916	0.5
256.99789	0.2
259.11154	0.7
260.11453	0.3
263.05563	0.3
273.03961	5.7
283.02386	0.4
290.04276	1.8
291.05014	0.3
298.10028	0.2
301.03485	1.8
319.04504	100.0
320.04828	0.7
459.74158	0.2
495.21909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0772
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
55.64423	0.2
57.03428	0.9
61.34682	0.2
62.04073	0.2
67.01862	0.2
68.99797	1.4
69.03419	0.6
70.57053	0.5
70.57401	0.3
71.01354	2.0
73.02927	3.4
75.04478	0.4
83.07539	0.2
85.02911	9.2
86.09747	0.2
90.81123	0.2
95.01339	1.8
97.02890	0.6
99.00794	0.6
101.02347	0.6
103.03934	0.6
109.02870	0.8
111.00806	2.6
113.02374	4.6
125.02386	0.3
127.03913	0.4
131.03406	1.6
133.02869	0.4
137.02338	2.2
139.03870	0.2
141.01817	1.6
153.00581	0.5
153.01831	9.9
159.02885	2.5
161.05995	0.4
165.01846	3.5
166.02596	0.4
167.03432	0.3
171.04408	0.4
177.05423	0.3
179.03400	1.4
183.02881	0.8
189.05478	0.7
193.01459	0.4
195.02858	0.8
198.30263	0.2
199.04042	0.3
203.03418	0.9
217.04968	4.1
221.04413	0.6
227.03502	0.3
231.02925	0.4
232.03772	0.3
235.05925	0.4
244.03740	0.2
245.04477	4.2
249.03864	0.2
255.02893	0.9
263.05484	0.7
270.30075	0.3
273.03918	4.5
290.04224	1.5
301.03528	1.3
319.04489	100.0
320.04803	0.8
390.52386	0.2
447.61108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01873	2.3
55.05497	0.8
57.03436	1.9
59.04974	0.3
61.02929	1.3
67.05505	1.3
68.99782	0.9
69.03431	8.8
69.07056	0.6
69.38496	2.0
71.01366	0.3
71.05004	1.3
73.02918	1.9
79.05492	1.3
81.03421	10.5
81.07054	1.6
83.01335	0.5
83.05001	0.4
83.08608	0.4
85.02908	14.6
87.00307	0.5
87.00832	8.1
87.04467	0.3
91.03946	1.0
91.05494	1.5
93.07044	1.4
95.04964	0.5
95.08611	0.8
97.02894	10.4
97.10153	0.4
99.04458	3.7
100.11279	0.4
105.01862	3.8
105.07008	0.5
107.04966	0.8
107.08585	0.8
109.02887	6.8
109.06524	0.7
109.10133	0.3
111.04407	0.3
114.63461	0.2
115.05407	0.4
117.01831	1.0
117.07007	0.4
119.08575	0.6
121.06496	0.7
121.10126	0.4
123.04418	0.7
127.03919	12.4
128.06227	0.4
129.01820	0.9
131.08553	0.9
133.10083	0.4
135.08076	0.5
135.11697	0.3
139.03902	0.6
141.06990	0.4
143.08499	0.5
145.03922	0.4
145.04974	4.6
145.06274	0.4
145.06502	0.3
145.10091	0.7
147.02876	0.9
147.04471	0.4
147.11739	0.4
149.09570	0.6
155.08569	0.7
158.07249	1.4
159.02907	4.7
159.08009	0.7
163.11153	0.5
169.06470	1.5
170.07266	1.1
171.04460	0.3
171.08012	0.6
173.09558	1.3
174.06779	0.6
175.07407	0.3
177.09090	0.3
183.08076	0.6
184.54686	0.2
185.04428	0.4
185.05983	0.4
186.06766	2.0
187.07576	1.1
189.09053	0.4
190.06276	1.9
193.12306	0.5
195.08116	0.4
197.05968	0.8
198.06781	4.1
199.03896	0.6
199.07410	0.3
201.09106	20.4
204.07770	0.6
205.08601	14.1
211.07574	0.7
213.03902	0.5
214.06250	12.0
219.13776	0.5
225.09077	0.3
228.08043	0.3
229.08603	60.0
230.09036	0.6
231.04912	2.3
239.10736	0.3
241.08617	1.4
247.09662	100.0
248.10056	0.8
253.08652	0.9
259.09653	2.3
259.15439	0.3
267.10132	0.8
267.15768	0.3
271.09653	5.1
283.09692	0.3
285.11035	0.4
289.10669	3.3
293.17328	0.4
295.09729	1.2
309.11182	0.5
313.10687	3.0
323.09320	0.4
325.10562	0.3
337.10754	2.0
355.11865	2.6
385.23837	0.4
403.25140	0.3
417.11707	0.3
459.27356	0.4
477.28366	0.9
483.38705	0.3
495.29318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.6
53.03940	6.0
54.13074	2.0
54.36621	2.7
55.01868	16.2
55.05267	3.2
55.05510	36.0
57.03437	13.0
57.07068	4.4
59.04999	3.7
65.03938	4.7
67.05510	98.2
69.03425	6.8
69.07072	26.6
71.05003	9.4
72.51273	1.8
79.05492	59.6
81.03067	1.8
81.03427	21.2
81.07060	100.0
83.04982	20.0
83.08629	24.2
85.02904	6.5
85.06550	5.5
88.55806	2.1
91.05485	41.2
93.06484	3.8
93.07050	59.7
95.04971	15.4
95.08609	33.8
97.02880	3.7
97.06549	18.8
97.10172	11.8
99.08101	2.7
105.07042	24.3
107.04953	9.0
107.08602	40.2
109.06520	7.6
109.09470	3.2
109.10165	39.8
111.04443	6.8
111.08129	9.2
117.07000	13.2
119.08597	15.0
121.06499	5.3
121.10168	16.3
123.08105	5.7
123.11718	4.3
125.09613	10.0
129.06999	3.8
131.08591	13.7
133.06447	2.8
133.10139	10.6
135.08011	4.6
135.11731	15.1
137.09583	2.0
139.11240	2.3
143.08571	3.4
145.10126	9.9
147.11688	10.9
149.09648	2.4
149.13264	15.2
152.77953	1.8
153.12746	4.8
154.88872	1.9
157.10144	4.9
159.11729	8.3
163.11194	15.3
169.12373	2.4
171.06586	2.2
171.11737	2.0
173.09636	3.6
173.11758	6.5
175.11261	3.6
177.12817	3.4
181.12193	6.8
185.08060	2.6
189.11177	3.4
191.10686	4.9
193.12236	6.7
195.13828	9.0
205.10149	2.1
209.11742	11.2
211.13297	7.0
227.12819	10.4
229.14366	2.3
255.15886	2.7
265.14410	3.5
267.15854	6.0
269.17499	6.3
271.15820	2.1
283.15411	11.0
285.17056	2.5
297.16888	2.4
339.23087	2.0
363.78357	2.3
378.05344	2.1
384.99930	2.0
385.23853	2.5
423.27536	12.3
442.26257	2.3
459.27359	4.2
460.28027	2.8
477.28589	16.7
495.29495	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.6
54.51692	5.1
55.01865	5.4
55.05512	82.8
55.58257	4.1
55.58584	4.1
57.03435	16.1
57.07069	6.7
67.05180	6.5
67.05510	95.3
69.07070	26.0
69.79189	3.9
71.05011	4.3
71.52668	4.6
71.53087	6.3
79.05499	76.0
81.07059	100.0
83.04980	6.6
83.08611	36.5
87.04475	9.9
91.05479	29.0
93.07056	63.3
95.08610	64.8
97.10173	47.5
105.07024	19.4
107.08607	59.3
109.06541	3.9
109.10139	32.9
111.08089	5.4
117.07009	11.8
119.08574	19.7
121.10143	36.4
123.11707	14.6
125.09611	34.9
131.08569	17.1
131.89386	4.3
133.10085	20.4
135.11676	30.1
137.13278	5.3
141.79153	4.1
143.10689	13.9
145.10197	11.6
147.11670	14.4
149.13239	17.8
159.11720	14.2
161.13278	11.3
163.14835	7.5
173.13283	14.4
187.14792	6.8
199.13322	6.8
215.12880	5.7
217.14346	72.9
241.19531	5.1
243.21173	13.6
261.22128	64.3
278.86697	4.1
278.90076	4.7
335.25882	52.8
337.27435	9.3
353.26688	10.1
385.31006	8.5
403.32083	39.7
447.73627	4.7
459.34387	4.4
465.93552	4.5
477.35672	54.1
480.32126	4.5
495.36252	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	495.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74060	2.3
55.01862	8.4
55.05515	78.7
57.03447	14.3
67.05511	90.6
69.03425	4.8
69.07068	25.6
71.04982	6.0
71.53201	3.7
73.04451	2.3
79.05502	74.1
81.06593	5.2
81.07064	100.0
83.04971	7.0
83.08628	32.8
85.06532	3.5
91.05090	2.6
91.05502	27.4
93.07050	50.4
95.04990	2.8
95.08612	74.8
97.06529	5.4
97.10175	52.7
99.08084	3.2
105.07042	22.7
107.08607	53.7
109.10159	35.7
117.07019	9.3
119.08599	20.2
121.10144	32.5
123.11734	16.6
123.12459	3.2
125.09647	37.7
131.08548	21.2
133.10118	17.5
135.08098	3.2
135.11710	26.5
137.13266	3.1
143.10669	7.4
145.10185	12.6
147.11670	10.7
149.13300	14.5
157.10176	2.8
159.10336	3.1
159.11684	13.2
161.13261	7.5
163.14830	7.7
173.13251	10.3
175.14798	4.5
199.13274	7.3
201.16374	4.2
215.12782	13.6
217.14375	93.9
233.22765	3.6
243.21034	13.5
259.20630	4.4
261.22171	61.1
277.21899	2.9
279.23291	5.6
302.89590	2.5
305.24976	3.3
317.24838	7.3
335.25833	57.4
335.29828	3.3
337.27322	10.9
353.26785	17.6
385.30923	4.6
403.32111	24.1
407.30777	2.7
459.34741	4.5
477.35736	44.2
495.36377	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	496.3402
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05503	0.3
56.05038	1.3
57.03425	0.7
57.06831	0.2
57.07082	2.9
58.06575	1.3
59.07383	0.2
60.08169	16.6
66.56244	0.2
67.05509	0.8
67.19107	0.2
68.01884	0.2
69.07082	0.4
70.06599	0.3
70.11430	0.6
70.26581	0.2
71.07381	6.2
71.08635	2.0
79.05472	0.2
81.07065	1.3
83.04976	0.2
83.08622	0.4
85.10202	1.0
86.09712	49.8
87.10049	0.2
93.07046	0.3
95.08616	1.0
97.10168	0.2
98.21361	0.2
98.98471	3.9
104.10751	100.0
105.11083	0.3
109.10155	0.5
125.00013	28.2
127.61942	0.2
163.01576	0.5
181.02664	0.3
184.07352	96.0
185.07793	0.2
211.88576	0.2
229.73047	0.2
258.11017	1.2
313.27405	1.9
340.65622	0.2
400.06097	0.2
419.25510	0.3
436.55353	0.2
478.32986	8.5
496.34015	40.9
497.34329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
57.03429	0.2
57.07076	0.7
58.06364	0.3
58.06630	0.5
58.89460	0.1
60.08167	6.3
62.41673	0.1
66.28410	0.1
67.05498	0.6
69.07079	0.4
70.06571	0.2
70.71326	0.4
71.07374	2.6
71.08639	0.5
73.39613	0.2
79.05477	0.2
81.07072	0.5
83.08621	0.2
85.10176	0.3
86.09710	28.4
90.39415	0.2
91.54211	0.2
93.07038	0.3
95.08620	0.4
98.98469	2.5
102.32566	0.2
104.10748	3.2
107.08613	0.2
109.10162	0.3
125.00011	19.2
138.80537	0.2
184.07347	100.0
258.10999	0.2
313.27521	0.3
478.32895	1.3
496.33972	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	498.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79860	0.4
53.03946	0.5
55.01867	1.3
55.05505	1.2
56.05030	0.4
57.03447	0.6
57.07076	1.9
58.99593	0.6
61.02931	0.8
64.65771	0.4
69.03082	0.6
69.03432	7.3
69.07074	11.6
69.42617	0.8
69.43018	2.5
70.06583	1.1
71.05000	0.4
71.08634	1.3
72.08137	0.4
73.01145	4.3
73.02913	1.3
73.06564	3.0
76.02238	4.2
81.03422	1.0
81.07056	0.9
84.08136	0.4
85.02910	7.4
85.10187	0.5
85.14326	0.4
86.09708	0.7
91.02180	2.4
93.07053	0.7
95.04978	0.4
95.08614	0.6
97.02898	2.2
99.02686	0.8
109.02937	0.5
111.11730	11.0
116.05328	0.6
117.03687	0.3
119.01646	100.0
120.08100	0.4
122.02745	0.6
127.02105	0.4
127.03914	1.4
129.12773	7.1
130.04984	0.6
137.02725	0.9
144.04784	2.3
145.05035	0.8
148.06000	0.4
162.05872	2.5
172.04138	0.5
190.05327	7.8
191.03737	35.1
197.15359	7.5
208.06398	43.7
213.29710	0.4
250.07501	0.7
258.65466	0.4
283.15549	0.5
286.07455	0.6
289.49731	0.4
318.17340	6.6
334.09650	0.7
336.18402	39.1
337.18494	0.6
378.19086	0.5
414.19180	0.5
462.21448	0.5
480.22543	0.7
498.23569	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	498.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92480	0.7
53.03946	0.9
55.05514	6.3
57.03432	6.5
58.93510	0.9
59.05016	1.1
61.02915	3.1
67.05509	27.9
69.03419	1.7
69.07077	4.7
70.91817	1.8
71.04992	9.2
73.02920	1.5
79.05499	8.2
81.03438	1.2
81.07062	51.2
83.04984	3.2
83.08611	4.4
85.02906	3.9
85.06551	7.5
91.03952	1.8
91.05484	11.5
93.07045	19.8
93.07627	1.0
95.04961	1.2
95.08592	8.3
96.21220	0.8
97.02901	2.4
97.06550	4.4
97.10195	1.0
99.08092	2.0
105.07037	4.9
107.08607	8.0
109.06496	1.7
109.10176	3.1
111.08067	2.7
113.06016	1.1
116.51526	0.8
117.06996	3.7
119.08559	1.3
121.10148	3.5
123.11720	7.2
131.08562	3.2
133.10132	10.6
135.11723	5.2
142.44933	0.8
149.13252	10.6
151.11217	4.2
152.07034	1.4
159.10320	0.9
159.11699	24.0
161.13275	2.8
169.12241	2.8
177.12756	36.6
179.14301	6.9
185.04474	6.0
187.13298	6.2
195.13885	5.4
233.15244	0.8
243.15950	34.8
251.16405	10.4
257.17480	1.5
269.17493	100.0
301.16821	1.5
301.20090	20.4
336.10764	1.6
344.59009	0.9
385.57394	1.0
445.24341	8.7
498.22568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
57.03450	3.1
61.02926	2.0
67.05508	15.8
69.03430	1.1
69.07072	2.6
69.38413	3.4
69.38828	1.6
70.06597	0.8
71.05013	4.0
71.07362	0.6
73.02922	0.8
79.05500	5.1
81.03418	1.4
81.07063	24.7
83.04978	1.6
83.08622	2.9
85.02904	2.8
85.06546	3.7
87.43457	0.6
91.05491	5.2
93.07045	10.6
95.04961	1.4
95.08606	3.7
97.02879	1.7
97.06528	1.9
97.10142	0.7
99.08078	1.0
103.03923	0.8
105.07031	2.5
107.08588	3.8
108.04480	2.1
109.02908	0.9
109.10150	2.3
111.08041	1.0
112.79317	0.6
117.07016	1.3
119.08600	1.3
121.10151	2.2
122.06033	0.7
123.11726	4.1
124.07626	0.7
127.03899	1.0
130.05049	0.7
131.08571	2.1
133.10115	7.2
135.11725	2.2
138.05486	0.8
146.05997	2.1
147.04422	1.5
147.08063	0.7
149.13226	5.6
151.11195	2.5
159.11707	9.0
161.13278	2.0
168.06551	3.5
169.10135	1.7
169.12231	1.6
174.05528	0.9
177.12737	12.5
179.14284	5.5
187.13292	5.1
195.13829	1.7
206.08130	1.3
211.08612	4.3
212.09373	1.0
213.10269	1.0
221.10779	0.9
222.09184	1.3
223.08653	0.7
224.10782	1.0
225.10237	3.3
239.11784	7.4
241.09885	1.5
241.13451	0.8
243.15927	22.8
243.18332	1.4
250.08707	1.3
251.08153	1.6
251.16441	3.8
252.08926	1.0
253.09698	4.5
267.11353	10.7
269.12836	1.7
269.17493	58.7
295.10782	4.5
301.20132	7.0
313.11832	36.9
313.16327	4.5
341.11240	4.1
355.13037	3.1
371.20551	1.7
373.13974	100.0
374.14346	1.4
466.20099	0.8
498.22540	1.8
498.34082	1.5
499.28009	0.8
514.09241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05516	4.7
57.03443	6.1
57.07069	0.6
59.05012	0.9
60.97389	0.7
61.02917	3.0
67.05510	31.4
69.03431	0.9
69.07066	3.8
69.99068	1.5
69.99460	1.5
71.04997	9.8
73.02900	1.5
73.50478	0.7
78.48195	0.7
79.05499	9.3
81.03455	1.5
81.07064	50.3
83.04992	2.3
83.08630	5.3
85.02906	3.0
85.06559	6.3
91.05488	11.3
93.07055	19.9
95.04957	1.7
95.08614	7.2
96.01854	0.6
97.02908	1.9
97.06535	4.8
97.10155	1.3
99.08082	2.4
105.07065	4.4
107.08609	6.3
109.06532	1.6
109.10190	3.6
109.65443	0.7
111.08096	2.2
117.07047	5.5
119.08540	1.3
121.10139	2.2
123.11703	6.8
127.03912	0.7
131.08592	5.3
133.10127	9.9
135.08069	1.0
135.11710	4.6
149.09541	0.9
149.13283	11.8
151.11166	4.5
159.11713	25.4
161.13280	2.7
168.28726	0.7
169.12270	2.4
177.12767	32.3
179.14313	6.5
183.13811	0.7
183.23445	0.6
186.25775	0.7
187.13332	6.2
195.13829	5.6
213.14951	1.1
243.15945	37.3
251.16457	11.2
257.17465	1.8
269.17502	100.0
270.17892	1.3
301.20114	22.2
373.13861	1.6
445.24384	9.1
463.25549	1.0
493.76251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.8
57.07070	3.1
58.99583	4.2
61.02936	3.7
67.05515	19.9
69.03427	6.0
69.07076	28.1
70.06593	14.9
71.05006	3.6
72.08118	3.1
73.02903	2.9
76.02231	12.4
79.05506	14.8
80.05025	5.8
81.03419	17.2
81.07062	59.6
83.04983	4.0
83.08629	10.3
85.01163	2.8
85.02902	9.1
85.06536	4.0
86.09689	5.4
86.99072	2.9
88.02212	5.9
88.04015	11.8
89.12718	1.8
89.60960	1.9
91.05479	18.4
93.07050	38.0
95.04977	13.4
95.08611	37.4
97.01127	4.0
97.02893	6.2
97.06514	2.8
97.10194	2.3
99.02647	2.2
99.04478	2.5
104.19786	2.1
105.00099	4.5
105.07023	19.6
107.08600	24.7
109.06523	8.6
109.10167	30.9
110.07153	2.5
111.08082	2.8
111.11720	2.4
113.04192	2.0
117.07066	5.2
119.08588	20.6
121.06499	3.6
121.10172	20.1
122.02739	38.1
123.02636	3.3
123.08049	2.5
123.11719	10.2
125.04224	2.1
127.03902	3.2
128.06219	3.7
131.08582	6.1
132.01154	2.8
133.10133	18.2
134.02777	2.8
135.08067	16.8
135.11714	9.3
137.09622	8.9
137.13269	5.9
139.11240	3.7
143.08519	2.8
145.10159	6.5
147.11679	8.5
149.09558	2.3
149.13269	6.6
151.11166	4.5
155.08203	4.6
157.10182	3.5
159.11722	5.0
161.09607	6.0
161.13342	2.9
163.11143	3.9
163.14842	3.3
173.13312	3.0
175.14844	2.5
177.05486	3.1
179.04807	2.4
179.10759	5.0
187.14851	2.2
189.16408	2.7
210.61945	1.9
221.04456	2.9
247.05983	2.4
275.11160	1.9
283.15372	4.6
287.05417	7.1
287.23669	4.8
301.16269	2.1
305.24680	10.9
361.02191	9.7
408.25906	10.7
414.26544	3.5
414.81512	2.2
417.06412	6.8
417.56583	3.3
426.26694	25.6
433.64389	2.1
444.27829	37.7
462.28925	32.4
480.29904	100.0
498.31119	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	499.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.27721	0.5
61.02916	0.9
67.53358	0.5
69.03432	9.5
70.06590	8.4
70.76272	0.5
71.05002	0.5
71.25492	0.8
72.08141	1.6
74.30611	0.4
79.01858	2.7
79.05495	0.6
81.03412	1.1
81.07054	1.5
84.04492	1.1
84.08131	1.8
85.02905	3.5
86.09722	1.1
86.29564	0.5
91.05445	0.6
97.02884	3.0
99.04450	0.8
107.01318	1.1
109.02859	1.4
111.04459	0.6
114.05531	1.0
116.07067	0.7
119.08571	0.8
120.08085	2.4
121.02909	1.0
123.04439	0.5
125.02345	2.5
127.03928	5.6
127.08690	3.3
129.10274	0.5
137.02295	0.6
137.05960	0.7
139.03902	1.5
141.10278	0.5
141.34702	0.6
143.03380	4.7
143.05626	1.3
147.04425	1.1
149.02348	1.9
151.03969	0.8
153.01836	100.0
153.02846	4.1
155.08188	1.0
159.04416	0.6
163.03917	1.8
167.03419	5.3
169.12303	1.4
171.02872	2.2
177.05421	1.1
179.03447	0.9
183.02855	0.7
185.04460	34.7
191.03432	2.9
191.07031	42.0
193.04979	0.5
203.03404	6.5
204.03726	4.9
205.04993	2.0
206.05183	0.6
207.03061	0.7
209.04471	2.3
214.11980	0.7
221.04456	22.1
222.04796	19.8
223.05984	1.8
224.07677	2.4
229.15538	2.1
233.04480	1.1
237.03972	2.3
251.05475	0.6
286.17587	2.9
297.06024	3.9
315.07062	5.1
336.10962	1.9
337.05399	0.6
337.10986	3.7
353.05042	0.7
370.14023	0.6
383.09851	2.2
384.10239	3.8
384.14966	0.9
394.17990	0.6
499.16483	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	499.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24545	0.5
51.72137	0.6
55.05513	1.0
66.77108	0.6
67.05520	0.7
71.05006	0.9
78.09416	0.6
79.05508	0.7
81.07047	1.0
83.01699	0.6
84.04509	9.7
91.05468	0.7
91.69721	0.6
95.08624	0.7
101.07157	1.5
104.05080	0.6
109.10180	1.1
121.10106	0.8
130.05009	17.4
147.07664	23.2
219.08096	1.4
237.09079	1.1
247.07675	1.5
250.06209	1.2
251.07030	7.2
264.07867	0.7
265.08704	0.7
275.06995	1.9
278.05734	4.5
291.06473	2.6
292.07321	18.3
293.08118	100.0
294.08594	1.0
306.08893	1.5
320.10834	0.8
330.48547	0.6
335.12811	87.1
336.13449	1.0
353.13892	13.0
363.28268	0.7
416.64130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01861	3.9
55.05273	2.1
55.05516	26.0
57.03441	24.5
57.07070	4.5
60.08157	2.1
61.02930	57.7
65.03931	2.8
67.05508	69.2
69.03089	2.3
69.03434	33.4
69.06736	2.5
69.07074	29.2
70.20193	1.8
70.20516	3.0
71.01331	4.8
71.04987	7.1
71.08621	3.1
73.02922	26.2
73.82641	1.5
79.05074	1.8
79.05499	25.2
81.03423	19.9
81.07060	79.4
83.04974	5.3
83.08231	1.9
83.08630	19.8
85.02910	56.5
85.06516	2.5
85.10170	2.0
86.09689	4.8
87.04471	2.8
91.03963	39.2
91.05492	17.4
93.07042	24.4
93.11343	1.4
95.04984	3.7
95.08611	61.1
97.02307	2.7
97.02898	44.8
97.06512	4.4
97.10160	10.0
99.04475	8.9
101.02393	11.7
103.03952	8.9
104.10754	8.9
105.07033	13.9
105.11048	2.8
107.04920	1.7
107.08613	14.0
109.02883	8.2
109.10161	25.8
111.04424	2.6
111.08070	3.1
111.11713	2.7
113.09657	1.8
115.03928	3.8
117.05441	3.1
117.07041	1.8
119.08577	9.1
121.10143	16.0
123.11708	14.2
124.99998	3.6
125.09574	1.9
125.69603	1.3
127.03925	21.7
127.11194	1.4
129.05457	5.0
129.07045	1.8
131.08546	5.2
131.59517	1.3
133.10161	10.7
135.11722	8.8
137.09607	1.7
137.13264	6.4
139.11227	1.8
143.08603	1.5
145.04984	7.7
145.10149	3.3
147.11694	11.4
149.13263	8.9
151.14832	2.6
159.06491	2.1
161.13255	6.4
163.14789	5.8
165.12752	1.8
165.16367	1.5
173.13319	2.8
175.14848	4.7
177.16408	1.9
183.06534	4.6
184.07315	7.0
185.07721	2.0
185.13196	1.5
186.07800	2.9
186.10223	1.7
189.16399	3.4
201.07594	4.4
245.22653	12.3
254.89746	1.6
261.22079	2.8
263.23746	24.2
270.17670	1.8
287.23636	1.8
291.23160	2.0
305.24652	2.3
314.27493	1.5
337.27380	100.0
365.26779	4.9
371.25800	4.0
379.28455	2.7
415.75333	1.5
445.29163	4.1
481.31717	7.7
499.32742	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01858	4.8
55.05517	29.8
57.03445	34.2
57.07087	10.3
61.02936	59.1
63.85278	2.2
65.03957	2.3
67.05515	94.9
69.03088	3.0
69.03442	42.6
69.06727	3.3
69.07077	39.7
71.01370	5.3
71.04992	6.0
71.08620	3.7
73.02930	32.1
75.04493	2.1
78.10798	1.7
79.05502	29.5
79.99647	1.8
80.91875	2.0
81.03430	22.7
81.07069	95.6
83.04980	7.6
83.08632	27.4
85.02917	58.2
85.03442	2.4
85.06542	3.0
87.04478	5.2
91.03969	35.8
91.05492	28.0
93.07051	39.2
95.04980	4.5
95.08623	77.0
97.02903	45.6
97.06538	8.5
97.10177	10.1
99.04459	14.2
99.08098	5.8
101.02386	10.9
103.03928	10.6
105.07037	19.4
107.05010	1.9
107.08591	20.7
109.02869	12.1
109.06496	3.0
109.10168	28.6
111.04443	2.1
111.08081	5.9
111.11731	3.4
113.09671	2.0
115.03940	3.0
117.07030	6.0
119.08601	17.6
121.06524	3.2
121.10165	20.8
123.08050	4.1
123.11729	14.2
127.03932	26.8
129.05472	5.2
131.08589	5.5
133.10152	13.9
135.08090	3.0
135.11713	10.5
137.13280	7.1
139.11212	2.9
145.04990	10.3
145.10112	3.9
147.11705	8.7
149.13264	9.2
151.14815	3.3
158.21643	2.2
159.06535	2.8
161.13293	9.0
163.14862	7.2
173.13229	3.4
175.14900	6.2
179.17950	2.6
183.06543	6.1
187.14774	2.0
189.16344	3.5
193.16002	2.1
201.07628	4.5
214.27196	2.0
218.23175	2.1
229.36615	2.5
245.22760	13.3
261.22174	3.0
263.23727	34.1
270.17969	2.5
275.23773	2.1
291.23297	2.6
303.23022	2.7
304.03250	2.2
305.24747	2.7
329.24631	4.1
337.27408	100.0
343.26395	2.3
347.25809	2.4
365.26950	6.7
371.25854	5.5
389.27002	4.2
421.29117	2.5
445.03696	2.0
445.29483	6.5
463.30582	6.2
464.30881	5.5
481.31644	11.7
481.37814	2.1
499.32745	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05269	1.4
55.05515	23.4
57.03436	12.7
57.07082	10.5
59.05007	5.4
65.03958	1.8
67.05507	85.3
68.59816	0.8
69.06691	0.9
69.07069	24.8
70.70661	2.7
71.04984	2.5
71.08633	4.8
79.05495	4.4
81.07059	11.3
83.08623	26.7
85.06544	2.7
85.10165	2.6
91.05497	4.3
93.07063	4.8
95.08596	7.6
97.06508	2.1
97.10172	15.0
99.08071	1.1
107.08586	3.4
109.10162	78.0
111.08073	3.6
111.11697	4.5
119.08594	5.1
121.10155	2.4
135.11717	1.2
137.09616	4.1
147.44327	1.1
155.10689	6.5
173.11748	22.8
229.14360	100.0
283.26346	1.9
311.25818	75.3
312.26251	1.3
465.35791	64.5
500.46841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17414	0.7
57.03452	1.0
57.31441	0.9
70.06594	2.7
71.52474	0.8
76.02258	0.8
77.75952	0.8
84.04494	1.0
85.02909	2.2
86.09699	5.7
91.05527	1.0
108.78181	0.8
116.07130	1.1
120.08100	0.8
122.70242	0.8
122.71523	0.9
123.04528	1.2
127.03912	0.9
132.33537	0.8
137.02339	2.7
157.10138	1.0
163.03946	1.1
181.01163	1.5
184.02490	0.9
199.02136	8.8
221.77432	0.9
253.05121	1.0
258.05499	1.1
325.03201	100.0
343.04364	1.0
361.04102	2.1
366.05975	2.1
433.05438	1.0
451.06503	2.6
469.07663	3.0
501.06424	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
55.01876	4.6
55.05520	23.8
57.03440	22.3
57.07067	19.5
60.10126	3.1
61.02932	55.2
67.05515	33.9
69.03439	31.9
69.07077	44.3
71.05000	5.8
73.02926	29.8
74.90142	3.5
79.05511	17.7
81.03428	21.6
81.07064	42.2
83.08630	34.4
84.93462	3.5
85.02908	59.8
85.06535	4.3
85.10179	3.7
87.04491	5.0
91.03963	38.5
91.05481	10.9
93.07064	21.6
95.08604	38.8
97.02898	51.7
97.10185	18.8
99.04462	12.2
101.02391	8.7
103.03935	8.7
104.43916	4.1
105.07004	5.8
107.08579	15.5
109.02872	10.2
109.10161	16.1
111.08089	5.3
115.03941	3.8
119.08600	4.3
121.09427	3.2
121.10148	23.4
123.11723	7.1
125.09733	4.5
127.03939	16.9
129.05531	5.2
133.10109	3.8
135.11763	20.1
141.05453	3.4
145.04987	7.3
149.13254	6.3
157.42569	3.5
157.43854	4.0
163.14848	4.8
171.11671	4.6
173.13277	4.7
183.06465	7.8
184.07286	5.2
201.07458	5.4
205.19417	4.6
228.23232	8.2
241.93848	3.6
247.24266	9.7
256.26398	10.6
265.25293	41.5
312.26318	5.2
339.28934	100.0
351.28308	4.9
483.32895	8.7
501.34677	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	501.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01881	4.0
55.05517	55.0
57.03165	1.9
57.03444	34.9
57.07082	51.5
59.05014	1.8
61.40326	1.7
65.03949	3.0
67.05511	71.1
69.07073	76.6
70.55052	2.1
70.55410	5.1
71.04994	5.1
71.08637	34.7
73.06548	2.6
75.04495	9.3
79.05496	25.8
81.07066	82.1
83.04992	4.4
83.08629	57.2
85.06561	4.3
85.10194	15.8
86.68365	1.6
91.05492	6.8
93.07050	35.7
95.08617	84.8
97.06533	16.4
97.10181	45.8
97.10789	2.9
99.08106	2.1
101.06059	2.7
105.07040	3.7
107.08607	28.3
109.10162	42.1
111.08096	11.6
111.11739	13.1
113.06026	5.0
115.07568	4.4
119.08593	2.4
121.10152	34.7
123.11720	17.5
125.09621	9.4
125.13304	3.9
129.09148	3.8
131.07047	7.8
133.10141	3.3
135.11696	27.9
137.13307	6.3
139.11203	12.6
147.11765	2.6
148.47649	1.5
149.13287	15.1
151.14856	3.8
153.12756	5.8
157.12328	1.8
163.14824	11.4
167.14337	3.8
171.13863	4.2
177.16412	7.8
181.15945	5.1
191.17982	5.5
195.17497	4.7
196.14395	1.7
199.16905	2.6
205.19557	3.2
209.19168	2.8
213.18546	2.3
217.19530	1.6
219.21024	2.4
223.20723	3.2
227.20140	2.0
235.20708	2.4
237.22122	3.0
255.23257	2.1
289.29004	9.5
290.13010	1.8
292.97968	2.0
307.29996	13.1
317.28415	10.5
335.29440	31.7
353.30548	3.8
371.31589	100.0
409.33160	54.1
427.34247	81.8
483.36893	39.5
501.37967	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10229	0.8
53.03944	1.5
55.01862	0.9
57.03440	2.2
57.13131	0.9
61.02915	2.5
67.05508	1.4
69.03439	6.7
70.06599	1.0
71.04995	0.8
71.53021	1.5
72.08146	1.6
73.02910	1.0
76.02238	1.6
79.05491	1.8
81.03415	3.3
81.07066	6.4
81.61306	0.9
84.04517	1.6
85.02917	15.0
86.09697	2.1
87.04453	1.3
91.04002	0.9
91.05477	1.5
95.04922	1.2
95.08646	0.9
97.02898	6.6
105.07047	1.2
107.08566	1.2
109.02900	1.7
117.03442	0.8
123.04420	1.6
127.03941	1.8
129.10229	1.0
130.04968	1.7
130.06534	2.4
133.02864	0.9
135.08070	1.9
145.04970	1.8
147.04413	1.0
149.13240	0.9
151.03923	3.3
155.03328	0.9
163.03854	4.2
169.04979	6.7
177.03333	1.2
177.05469	2.1
177.12762	2.6
179.03410	9.5
179.04872	1.9
181.04976	7.4
184.07320	1.0
187.03903	1.2
197.04483	47.5
205.04991	2.8
211.05933	1.8
223.06009	6.3
247.09705	3.0
265.10739	100.0
340.11908	2.3
427.15930	2.9
502.22473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.4
57.03442	12.5
57.07078	30.0
64.80145	2.3
67.05509	76.4
69.07071	8.5
70.09608	10.6
71.08645	25.1
81.07049	16.9
83.08606	11.5
85.10186	10.6
89.06038	2.3
89.60152	2.1
91.05470	3.7
93.07032	3.2
95.08615	18.4
97.06567	2.3
97.10163	3.9
109.10162	80.1
119.08572	3.3
137.09579	3.0
155.10704	7.1
173.11728	19.9
229.14383	100.0
248.91573	2.5
253.52112	2.3
313.27383	99.3
467.37375	62.1
502.36676	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05505	1.4
57.03448	0.4
59.56031	0.4
59.73720	0.3
61.40480	0.4
62.36296	0.3
67.05502	0.5
69.03429	1.0
69.07069	0.8
71.52512	0.6
79.05500	0.6
81.07058	1.5
83.08647	0.6
84.04540	0.4
85.02903	2.1
85.06551	0.5
87.04483	0.4
91.05470	0.6
93.07045	1.1
95.04978	0.4
95.08604	1.2
97.02911	0.9
99.04446	0.4
100.11279	2.0
105.07024	0.8
107.05020	0.4
107.08598	0.7
109.02883	0.4
109.10153	0.9
111.04461	0.4
113.02409	0.6
119.04904	0.6
119.08596	0.6
121.10105	0.6
123.04429	2.7
123.11768	0.4
127.03928	0.7
128.07045	0.6
133.04987	0.9
137.05969	0.8
137.09544	0.3
139.03870	1.7
141.11554	0.4
145.05090	0.4
147.04408	3.0
149.13289	0.5
162.02237	0.4
163.03960	0.9
177.05519	0.4
177.12799	0.4
182.15402	1.4
184.07469	0.3
195.13895	0.5
197.04501	0.4
203.05293	1.1
208.45551	0.3
210.14891	1.3
259.07913	1.0
261.45261	0.4
265.10751	1.2
273.07578	0.5
310.09659	0.4
323.26004	0.5
327.14639	0.4
341.19180	1.6
459.21671	0.8
471.21967	1.5
494.36514	0.5
503.24673	100.0
504.25235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2467
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
51.95370	0.3
54.97042	0.3
55.05505	0.8
57.03440	0.3
67.05508	0.7
69.03432	0.8
69.07065	0.7
69.36471	1.2
69.36895	1.1
70.06576	0.3
79.05502	0.4
81.07057	1.7
83.08599	0.5
85.02912	1.3
85.06539	0.3
91.05441	0.3
93.07041	0.7
95.08611	1.1
97.02896	0.6
97.06535	0.3
100.11257	1.1
106.68876	0.3
107.08596	0.5
109.02881	0.7
109.10174	0.4
111.04439	0.3
113.02394	0.8
121.10143	0.3
123.11725	0.6
124.42408	0.2
127.03902	0.4
133.10129	0.4
141.97740	0.3
147.04430	0.7
149.13321	0.4
156.33803	0.3
157.65121	0.3
163.03928	0.3
163.62277	0.3
168.74971	0.3
175.07730	0.3
176.70340	0.3
182.15466	0.4
197.04579	0.3
199.05045	0.3
203.05293	1.1
210.14928	0.9
217.15938	0.3
242.27411	0.3
259.07959	0.8
265.10846	0.4
281.08157	0.4
287.41238	0.3
305.24814	0.5
341.19427	1.3
459.22131	1.0
471.22141	1.4
503.24689	100.0
504.25012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01869	2.3
55.05520	8.7
55.76626	1.3
57.03436	4.3
57.07076	3.6
57.89382	1.3
60.82846	1.2
67.05511	21.5
69.07076	12.2
71.04990	2.2
71.08627	4.4
79.05503	10.1
81.07060	21.9
83.04972	1.4
83.08624	6.1
85.02906	1.5
85.06548	2.8
91.05483	9.8
93.07054	15.5
95.04965	3.7
95.08614	18.6
97.06530	3.9
97.10174	1.3
98.20767	2.2
98.98477	77.4
99.08095	3.4
105.07050	11.0
107.08598	13.0
109.06519	13.6
109.10160	8.9
111.08083	2.3
119.08598	15.2
121.10131	8.6
123.08077	31.0
123.11675	2.4
128.06227	1.3
130.04434	1.2
131.08591	5.4
133.10133	12.6
135.08075	20.2
135.11688	4.5
137.09642	3.5
143.08545	1.7
145.10155	8.5
147.11703	6.0
149.09612	4.5
149.13287	2.9
157.10138	1.8
159.11739	6.0
161.09642	2.4
161.13278	1.7
163.11230	1.9
165.12749	3.9
173.02141	12.0
173.13287	1.9
175.14851	5.7
177.12746	8.2
177.16379	2.2
179.14339	47.9
189.12839	1.4
191.14360	2.4
193.15923	2.4
197.13177	2.0
205.15909	6.9
233.18993	2.5
247.20531	2.5
251.44421	1.3
263.20108	2.0
275.20108	7.0
289.21652	5.8
293.21127	2.3
303.26797	7.7
331.26331	100.0
349.27472	14.2
387.28961	6.8
405.30026	63.1
423.31235	2.4
485.26535	5.5
503.27704	40.9
503.33975	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	503.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	25.1
56.85168	3.9
67.05505	33.7
69.03441	20.3
69.07066	42.9
70.06594	6.4
71.04982	5.7
71.52429	3.4
71.53105	4.1
79.05510	22.5
81.03416	9.4
81.07060	100.0
83.08618	13.5
85.02916	14.8
85.06524	12.0
89.28502	4.7
91.05480	19.4
93.07055	47.0
95.04960	5.2
95.08056	7.9
95.08607	79.3
97.02910	9.0
97.06527	12.4
97.10179	15.7
105.07036	18.2
107.08591	43.1
109.06521	4.5
109.10159	31.2
111.08074	15.8
111.11731	12.7
119.08588	15.1
121.10151	26.9
123.11716	61.3
127.03921	11.7
131.08600	5.1
133.10144	7.9
135.08063	5.1
135.11708	18.5
137.06018	5.4
137.13235	13.4
139.11156	11.7
141.12743	6.5
147.11694	8.3
147.36743	4.2
149.13269	44.7
151.11229	7.1
157.12250	9.6
161.13258	9.4
163.14827	4.9
173.13332	5.6
175.14690	6.4
187.13315	19.1
188.06407	4.1
199.15004	5.2
203.12834	5.4
277.49011	4.6
287.23776	10.0
293.24881	10.2
305.24768	49.7
323.25830	14.6
331.17465	11.2
348.28781	4.6
437.28934	6.7
449.28955	7.1
467.29825	11.7
503.24274	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
51.19924	0.7
52.59876	0.6
53.03947	4.6
55.01875	1.2
55.05514	21.7
57.03427	1.0
57.07077	6.1
59.04998	1.5
63.25286	0.6
65.03938	2.2
67.05507	56.7
69.03436	1.3
69.07071	16.9
69.07421	1.4
69.15103	6.6
71.04996	5.1
71.08625	2.7
72.18491	0.6
72.26775	0.7
77.03912	1.3
77.95506	0.6
79.05495	30.9
81.03423	22.1
81.07059	86.5
81.70679	0.6
83.04987	2.1
83.08624	17.9
85.06548	8.4
85.10221	0.7
91.05484	24.5
93.07048	28.7
95.04976	8.6
95.08616	17.5
97.06532	2.0
97.10178	8.0
99.08138	0.7
105.04535	0.7
105.07039	16.3
107.04958	1.4
107.08600	13.6
107.84417	0.7
109.06524	1.7
109.10155	9.2
111.08092	2.8
111.11734	2.6
115.05429	0.8
115.69661	0.7
117.07041	3.3
119.04931	0.8
119.08590	11.6
121.06492	1.1
121.10151	12.0
123.08109	1.4
123.11718	9.2
125.13251	0.7
129.07010	4.0
131.08585	6.9
133.06525	1.1
133.10126	9.8
135.11694	6.7
136.19687	0.8
139.11197	0.9
142.07784	1.0
143.08603	1.7
145.10107	3.8
147.11725	5.1
149.09668	2.0
149.13287	2.1
151.11153	3.2
153.12769	0.8
157.10165	3.1
159.11705	3.9
161.13245	1.3
163.14882	0.9
169.12289	2.0
173.13274	2.5
175.11201	2.0
175.14856	1.0
185.13254	0.7
187.13284	8.0
187.14790	1.2
193.12244	6.2
199.14847	0.8
243.21112	1.1
249.14896	1.7
261.22180	2.4
303.97696	0.7
317.24713	0.7
323.84421	0.7
331.26752	0.9
393.31729	1.1
411.32693	2.3
429.34076	0.9
485.36255	2.3
503.37357	100.0
504.37469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.373
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
52.89781	0.4
53.03943	3.0
55.01878	1.0
55.05515	18.5
57.03438	1.9
57.07080	4.0
59.05001	1.3
62.15251	0.4
63.04626	0.4
65.03941	2.6
66.04745	0.5
67.05508	57.9
69.03439	1.1
69.07072	12.0
70.64552	1.0
70.64916	0.7
71.04998	7.2
71.08636	1.2
71.59575	0.4
77.03924	0.9
78.69133	0.4
79.05498	30.5
81.03426	8.1
81.07059	87.8
82.07401	0.5
83.04971	2.0
83.08620	10.9
85.06551	8.8
91.05485	20.8
93.07049	27.6
95.04973	4.9
95.08609	17.6
97.02928	0.5
97.06539	2.3
97.10178	4.3
99.08085	0.7
105.04566	1.1
105.07036	12.3
107.04961	0.8
107.07878	0.8
107.08605	13.0
109.06527	1.6
109.10165	9.9
111.08109	1.3
111.11730	1.4
117.07020	3.6
119.08585	9.2
121.06561	0.6
121.10153	12.4
123.08097	1.3
123.11707	10.9
125.09665	0.5
129.07016	2.3
131.08577	7.5
133.06499	0.5
133.10136	13.2
135.08115	0.7
135.11697	7.0
139.11127	0.7
143.08566	0.9
145.10109	4.6
147.11691	4.1
149.09674	0.9
149.13290	3.0
151.11188	4.9
153.12721	0.7
157.10138	2.2
159.11685	3.3
161.13249	2.3
169.10149	0.9
169.12215	2.7
171.11720	0.8
173.13287	2.8
175.11214	0.8
175.14824	0.9
177.12520	0.4
183.11606	0.4
185.13300	0.5
187.13298	10.0
187.14859	0.9
193.12279	2.8
201.16365	0.5
225.14835	0.5
227.16478	1.2
241.19650	0.5
243.21208	0.5
249.14819	0.7
257.44809	0.4
259.20663	0.6
261.22177	2.9
307.16772	0.4
317.24710	0.8
327.98193	0.4
331.26477	0.7
393.31717	0.6
405.30121	0.6
411.32629	1.7
429.33768	1.0
485.36380	2.2
503.37344	100.0
504.37653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44222	0.2
55.01863	0.9
56.05018	0.3
57.03442	2.1
59.05001	0.6
61.02919	0.4
68.64666	0.2
69.03435	1.7
70.06587	1.0
70.52284	0.2
71.01353	0.8
71.52370	0.3
72.08150	0.7
73.02920	1.4
74.06067	0.4
76.13573	0.2
78.03465	1.1
80.05023	3.2
81.20084	0.2
84.04508	0.8
84.08174	0.4
85.02914	2.4
86.09695	1.7
87.04469	1.2
96.04505	0.5
97.02872	1.2
98.97602	0.2
101.07214	0.2
103.03942	0.3
106.02227	0.4
106.02922	6.6
115.03934	1.5
116.07117	0.3
116.12992	0.2
118.06549	0.4
122.06035	0.3
123.05556	100.0
124.03947	0.6
124.05854	0.3
130.06546	0.3
133.05005	1.7
134.05980	0.2
136.06192	25.6
137.04567	0.3
146.06030	0.6
147.04373	0.5
148.03940	0.2
148.06166	0.5
150.05496	0.3
161.06049	0.3
164.07077	0.2
166.08580	0.2
174.05499	1.2
176.07083	0.5
177.06664	0.3
178.04982	0.5
178.07205	0.6
178.08636	0.3
180.06451	0.2
189.05504	0.6
190.44693	0.2
192.06528	0.4
194.08189	1.4
196.13339	0.5
197.04486	1.0
202.05025	2.2
212.09174	0.4
219.07642	1.3
220.06125	3.2
232.08374	1.1
237.08803	1.2
239.05528	0.6
255.09782	4.2
268.10519	0.3
295.09506	0.3
297.19196	0.4
301.09790	0.3
307.08133	0.7
311.12521	0.4
326.12280	1.4
337.10547	0.4
342.22916	0.4
351.11908	0.4
352.10339	0.6
355.11505	6.2
369.13010	0.8
372.14230	3.7
487.15613	2.2
504.18253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65995	1.2
54.26339	1.3
55.01889	1.3
67.05519	1.5
69.63087	6.3
70.06577	1.7
72.08163	2.1
79.05511	1.5
79.13618	1.2
81.07053	4.2
84.04507	2.4
84.08160	2.2
85.02935	1.3
86.09695	2.8
95.08593	2.6
98.20715	2.3
109.10119	1.9
119.04955	3.4
121.06525	1.9
123.04427	13.0
127.03862	1.5
139.03929	2.3
147.04425	8.4
149.06039	2.4
151.03908	79.3
159.04564	1.3
161.05991	1.3
163.03917	2.1
165.05499	7.0
177.05528	3.6
206.59131	1.3
219.10164	100.0
303.08499	3.4
353.13654	1.8
357.14734	3.2
363.80682	1.5
371.15033	11.2
427.47833	1.4
504.19278	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.1
57.07043	10.6
64.39465	6.8
67.05505	100.0
68.57568	7.6
69.03418	8.8
69.07065	13.1
71.52638	10.5
76.71509	8.4
79.05492	57.8
81.07053	99.5
85.06577	10.0
91.05473	29.2
93.07048	74.7
95.04993	10.5
95.08597	51.1
102.39733	7.8
105.07043	29.0
107.08597	56.3
107.43961	8.6
109.10181	48.1
117.07010	14.2
119.08575	59.7
121.10150	58.1
123.11688	17.7
131.08572	25.9
133.10129	28.2
135.08038	14.2
135.11693	58.4
137.09549	8.7
145.10121	23.3
147.11688	17.2
149.13243	29.5
159.11673	19.9
167.68823	7.5
173.11702	9.1
173.13287	15.0
215.17960	91.7
233.18994	97.7
257.19131	10.5
307.22659	25.7
313.03897	8.5
325.23834	26.0
504.34219	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73959	0.3
53.03948	1.9
53.22693	0.3
53.78685	0.3
55.01874	2.0
55.05516	0.5
57.03437	0.8
61.02929	2.0
67.05508	0.4
68.99799	1.2
69.03082	0.5
69.03436	5.5
70.06260	1.3
71.04990	1.2
73.02915	2.0
79.05516	0.4
81.02991	0.5
81.03432	7.0
81.07036	0.4
85.02913	15.5
87.00835	5.7
91.03957	0.9
91.05484	0.7
93.07059	0.5
95.08643	0.4
97.02298	0.5
97.02905	7.9
98.65570	0.3
99.04465	2.9
103.03979	0.4
105.01871	3.7
105.07024	0.4
107.05018	0.3
107.08591	0.5
109.02889	4.8
109.10140	0.4
117.01837	1.0
121.10149	0.5
127.03926	10.4
129.01862	1.0
145.04974	5.3
147.02856	0.7
147.04396	0.7
159.02907	4.7
159.08029	0.5
165.09097	0.4
183.08121	0.8
187.07584	2.2
201.09189	0.6
210.06651	0.3
211.05547	0.5
211.07555	8.5
211.09502	0.6
211.17160	0.3
215.07043	0.7
225.09154	0.8
229.08603	0.9
231.05011	0.9
235.07541	0.5
239.07066	7.7
240.07878	0.7
241.08594	0.4
242.05759	8.1
253.08653	1.3
254.05673	0.4
256.07446	0.6
257.08112	100.0
258.08502	0.7
263.07025	0.9
266.05765	0.5
269.08093	2.1
273.09030	0.4
280.07135	0.4
281.08133	3.7
293.08270	0.4
295.09637	1.2
299.09171	7.5
319.09628	1.2
323.09109	2.3
347.09207	1.5
365.10260	3.2
469.10968	0.3
505.28122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
54.37490	0.4
55.01867	1.6
57.03430	1.8
61.02932	2.8
67.01862	1.2
68.03074	0.4
68.89616	0.4
69.03435	6.5
70.56626	1.1
70.56985	0.9
71.04979	0.9
72.51656	0.5
73.02914	1.4
81.03419	3.4
83.01328	1.8
84.04510	20.0
85.02908	25.4
87.04465	0.6
91.03952	1.8
95.04964	0.9
97.02296	0.7
97.02897	9.5
99.04430	0.7
101.07138	1.8
102.05540	0.6
105.03381	0.9
109.02883	2.8
123.04462	3.2
127.03932	5.0
130.05011	32.1
133.02881	0.9
145.04974	6.1
147.07657	50.5
151.03917	7.3
160.79732	0.5
163.06078	0.5
169.04988	10.1
179.03418	16.1
197.04466	100.0
208.62842	0.4
326.78006	0.5
359.09747	15.7
375.03101	0.5
523.39343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.182
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50323	2.2
76.24546	0.7
85.02934	0.8
87.09051	0.7
89.67165	0.7
91.05486	1.3
115.05434	1.0
117.05733	0.6
117.07016	1.5
118.06546	20.2
123.05583	1.3
130.06573	1.6
132.08136	4.3
136.06204	2.6
142.06546	1.7
142.36845	0.6
143.07332	2.7
143.99892	0.7
144.08096	10.9
146.06018	59.7
159.09215	5.9
170.06041	3.9
188.07080	100.0
205.09743	44.7
239.88411	0.7
319.82449	0.6
356.11856	1.1
443.09369	0.7
474.91385	0.7
488.16113	0.9
501.81747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3503
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03923	0.9
55.01860	1.6
55.05273	0.7
55.05516	10.2
55.66076	0.4
57.03428	1.7
57.07083	5.2
64.14660	0.4
65.03940	0.9
67.05510	11.6
68.31007	0.5
69.07075	11.2
71.04988	0.5
71.08646	3.2
71.44659	0.4
72.84652	0.5
79.05498	6.4
81.03422	4.5
81.06596	0.7
81.07063	13.6
83.04976	1.2
83.08162	0.8
83.08626	11.2
85.06537	0.5
85.10181	1.3
89.06017	0.9
91.05482	4.2
93.07054	7.9
95.04981	2.3
95.08617	6.0
97.02659	0.5
97.06528	2.1
97.10174	6.9
105.07028	2.3
105.46864	0.5
107.08607	5.2
109.10162	3.9
111.08104	1.1
111.11700	2.1
117.06969	0.7
118.05666	0.4
119.08579	1.3
121.10175	3.7
121.24063	0.5
123.11728	1.1
125.09619	0.6
131.08546	1.7
133.10133	1.5
135.11678	1.9
135.76904	0.4
145.13135	0.5
145.61183	0.4
147.11635	1.2
149.13254	4.0
149.32346	0.6
155.25743	0.4
159.11702	1.1
165.92755	0.4
176.69862	0.5
193.12248	2.1
195.09949	7.5
195.13808	2.0
237.22209	3.7
251.12541	2.2
311.25720	1.5
333.23996	1.0
368.97708	0.5
386.49213	0.5
403.19318	0.6
445.20078	1.8
446.20871	1.3
505.22385	5.8
505.34314	100.0
506.34995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	1.5
57.03202	0.2
57.03446	2.0
61.02937	3.0
66.79677	0.2
67.01858	0.8
67.05517	0.5
69.03085	0.5
69.03436	7.3
70.06594	0.7
71.04976	1.1
73.02907	1.3
81.03426	3.5
82.06478	0.3
83.01344	1.5
84.04517	1.6
85.02914	28.8
86.09704	0.7
87.04494	1.3
91.03963	1.9
91.05485	0.3
95.04964	1.0
96.87797	0.3
97.02300	0.5
97.02904	9.7
99.04475	1.8
102.05524	0.3
105.03370	0.5
109.02879	2.8
119.04982	1.0
120.08096	0.8
123.04430	3.3
127.02982	0.3
127.03934	5.8
130.05002	1.0
131.04967	0.3
133.02866	0.7
145.04974	9.6
147.04416	7.2
147.07733	0.6
148.06068	1.1
151.03926	6.4
163.06047	0.8
163.07582	0.4
165.05479	3.8
169.04970	9.4
179.03419	14.4
193.89270	0.3
197.04471	100.0
197.90135	0.3
198.04797	1.2
262.69693	0.3
338.60977	0.3
359.09760	15.6
520.74585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39202	0.3
55.05513	0.4
55.84340	0.5
56.05044	0.4
61.02918	0.4
65.03902	0.3
67.05508	0.5
69.03437	6.3
70.06590	0.5
71.05016	0.4
71.52403	0.4
72.08146	0.5
76.28187	0.3
78.75821	0.4
81.07065	1.1
84.04478	0.5
85.02904	1.4
86.09724	1.4
91.05492	4.4
93.07022	0.6
95.08601	0.7
97.02904	0.8
97.06526	0.4
100.11250	0.6
107.04963	0.7
109.10153	0.5
117.03415	0.4
119.04956	12.4
119.05792	0.8
120.08076	0.7
127.03925	3.1
131.08528	0.4
135.04428	1.0
145.02892	0.9
147.04419	100.0
151.03993	0.4
163.03943	4.3
165.05443	2.2
168.15483	0.3
177.05490	1.0
235.13319	0.4
291.08633	6.2
309.09750	9.0
325.09061	0.6
353.69818	0.4
494.06302	0.4
506.37103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
61.02925	1.5
61.85257	0.4
65.03950	0.8
69.03429	2.6
69.49847	2.9
70.06568	0.7
73.02962	0.4
81.03410	1.1
85.02909	12.9
87.04490	1.0
91.03947	0.6
91.05482	5.2
94.96544	0.4
97.02913	3.5
98.21483	0.9
98.97556	0.4
104.07102	1.9
109.02872	0.9
119.04947	17.2
123.04430	1.1
127.03896	2.0
128.83406	0.4
145.04962	4.6
147.04416	100.0
149.02351	1.3
163.03944	1.0
163.06032	0.9
165.05484	52.4
167.03415	3.8
180.08681	0.6
195.02916	3.5
197.04483	0.8
223.02373	5.6
241.03433	5.7
309.09607	0.8
342.29834	0.5
344.13327	1.3
385.11212	1.1
455.45490	0.4
506.19785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.61197	0.2
57.03429	1.1
61.02926	1.8
67.05506	0.3
69.03086	0.4
69.03437	5.9
69.07088	0.3
70.06584	1.1
70.10822	0.8
70.11214	0.5
71.04990	0.6
72.08144	0.4
73.02930	0.6
73.06525	0.4
76.02217	0.5
79.05499	0.5
81.03422	1.6
81.07051	1.0
83.01371	0.4
84.04491	0.9
85.02911	12.9
86.09715	0.8
87.04462	1.1
91.03949	0.7
91.05482	1.0
93.07069	0.5
95.04993	0.4
95.08651	0.3
97.02901	4.8
97.06533	0.3
99.04465	0.8
107.08604	0.6
109.02882	1.7
109.06509	0.4
109.10164	0.3
114.06535	0.3
116.01675	0.5
117.03384	0.6
119.04964	1.9
119.08658	0.3
120.08110	0.5
123.04435	0.7
127.03919	3.0
130.04944	0.3
133.10103	0.2
135.11699	0.5
136.07594	0.4
137.05992	1.0
145.02858	0.9
145.04982	2.4
147.04428	6.7
148.04684	0.4
151.03909	0.9
155.03381	0.5
162.02345	0.3
163.03914	0.9
163.11255	0.3
165.05481	2.5
169.05013	2.3
175.03915	2.7
177.05498	2.7
179.03374	1.0
179.04805	0.3
181.04973	1.1
183.06544	1.1
184.13350	0.3
193.04982	14.7
197.04486	3.5
211.06032	100.0
212.06305	0.4
223.06058	0.7
223.09622	0.3
223.13127	0.4
265.10733	10.4
283.11838	1.3
287.05490	0.4
359.16434	1.5
373.11331	26.2
374.11725	0.3
427.16135	2.6
445.17191	1.2
506.22601	0.6
525.44501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04760	2.4
53.03955	3.3
55.05504	7.1
57.07085	3.0
67.05511	17.0
68.05022	8.1
69.03417	6.3
69.07062	11.9
70.06260	3.4
70.06596	49.2
70.17036	7.1
71.04983	4.0
74.86750	2.6
75.11092	2.8
79.05499	16.5
79.20563	3.0
79.44508	2.6
80.05019	8.4
81.07072	22.9
82.06596	4.6
83.04981	6.6
83.08611	5.5
84.08150	3.4
85.06534	4.4
85.08440	2.4
91.05492	30.9
93.07054	29.2
94.06599	2.9
95.04956	8.3
95.08617	9.7
96.08143	11.4
97.06591	3.8
100.07623	40.4
101.26984	2.5
105.07037	57.2
106.06601	5.8
107.08590	24.9
108.08138	7.3
109.06525	5.9
109.10163	8.3
110.09679	3.2
114.05542	14.7
116.06307	3.3
116.07113	10.3
117.07014	12.1
119.08589	36.2
120.08120	12.0
121.06523	10.7
121.10152	20.0
123.08054	2.7
126.09103	2.4
128.06241	7.3
128.07085	52.6
128.07985	4.9
128.16234	2.5
129.06999	17.6
130.07800	5.4
131.08556	25.9
132.08037	3.0
133.09097	2.7
133.10158	10.9
134.01767	2.6
134.09651	7.1
135.08047	4.7
136.11195	7.1
137.09454	3.1
139.11270	3.2
140.07234	2.9
141.07051	8.0
142.07803	11.6
142.08754	4.1
143.08582	30.6
144.09416	6.8
145.10118	30.7
146.09616	3.4
147.11736	4.1
148.11235	11.8
149.09599	16.1
151.78357	2.5
153.07008	3.5
154.08698	20.5
155.08614	10.1
156.09372	9.5
157.10150	29.4
158.10934	4.3
159.08109	10.1
159.11719	11.6
160.11224	12.4
162.12817	3.9
167.08591	3.8
167.10690	7.2
168.10330	6.8
169.10106	25.3
170.10895	3.7
171.11665	15.1
172.11226	5.1
173.13260	8.5
174.12831	3.8
175.14775	2.8
178.08694	6.1
179.08585	9.1
181.10136	9.7
183.11717	16.6
184.11249	2.8
185.13272	5.8
192.09544	3.2
193.10156	5.4
194.11935	19.0
195.11752	9.0
196.12589	2.7
197.03824	2.6
197.13292	10.7
199.14919	4.5
206.11195	3.3
207.11682	13.0
208.12349	3.5
209.13321	13.3
210.14223	3.3
211.14767	4.0
212.14369	3.2
215.14355	3.6
217.10156	2.6
218.11641	3.6
219.11809	5.0
220.13316	4.9
221.13293	8.8
223.14864	12.2
226.15817	3.9
231.11601	2.9
233.13301	7.5
233.15372	36.6
234.14082	3.3
235.14912	6.4
243.11572	2.9
247.14909	7.1
248.15738	6.1
249.16389	3.3
256.62982	2.9
257.13437	2.9
258.14523	5.6
259.14969	4.6
263.18015	4.8
265.19666	5.1
271.15625	3.0
272.16571	5.7
273.16257	3.8
283.20682	5.1
284.16345	9.3
288.31586	3.1
329.22406	4.5
347.23849	2.8
352.26376	5.4
356.22311	4.2
373.25595	2.8
396.25385	21.3
414.26489	34.2
470.24609	2.9
470.30704	11.1
480.68768	2.9
488.24643	4.6
488.31647	72.7
506.32739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17817	0.8
51.36559	0.8
53.03942	1.3
55.05522	9.2
57.03446	8.5
57.07063	1.6
63.52738	1.0
65.03925	1.1
67.05514	35.7
69.07077	8.9
70.06043	2.8
70.06386	1.6
71.05001	1.0
76.02217	1.0
79.05502	18.4
81.06596	1.8
81.07066	31.7
83.04971	2.0
83.08616	3.8
85.06567	1.0
86.09725	1.2
91.05500	8.8
93.07050	21.3
95.05000	1.1
95.08620	26.0
97.01283	0.9
97.10169	1.7
98.98483	26.2
105.07032	6.3
106.89559	1.0
107.08604	10.7
109.10159	9.7
117.07021	2.3
119.08586	6.0
121.10179	7.3
123.11726	3.3
131.08577	4.2
133.10106	4.7
135.11697	3.9
145.10147	2.0
147.11713	2.4
149.13269	2.5
149.14627	0.8
155.01028	4.8
159.11655	1.8
161.13254	2.2
163.14761	1.4
173.02235	4.3
173.13286	2.1
184.07306	2.5
221.15245	1.0
229.04759	1.3
243.21037	1.8
261.22116	4.6
317.24734	2.4
335.25827	100.0
436.32602	1.1
471.25330	1.1
489.35165	1.9
507.35751	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26213	1.2
53.03952	1.8
55.05516	10.1
57.03444	6.1
57.07079	1.4
63.98064	1.2
67.05514	42.8
69.07079	12.2
71.05005	2.4
72.08174	2.0
76.84389	1.2
76.87061	1.3
79.05502	22.9
79.05952	1.0
81.07063	36.0
83.08637	5.6
91.05491	13.6
93.07056	31.6
95.04950	1.4
95.08620	24.6
97.06533	1.6
97.10187	1.3
98.20750	3.3
98.23323	1.2
98.98476	46.2
99.70794	1.2
105.07041	12.1
107.08606	18.1
109.10177	12.0
109.72620	1.2
114.18908	1.3
117.07032	2.7
119.08596	10.7
121.10146	14.3
123.11732	4.1
128.97382	1.3
131.08577	7.1
133.10138	6.6
135.11728	7.2
137.13309	2.0
145.10143	3.4
147.11702	4.7
149.13295	4.0
155.01054	19.6
155.02223	1.9
159.11722	5.2
161.13257	3.5
163.14845	3.2
173.02158	4.9
173.13298	4.3
175.14919	1.9
184.07358	1.4
187.14853	2.0
229.04700	3.4
243.21159	6.9
247.05853	3.5
261.22192	14.7
275.10669	1.5
317.24701	6.1
335.25836	100.0
471.25162	4.3
493.30215	1.3
507.35721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
54.10330	1.5
55.01862	7.9
55.05515	30.2
57.01850	1.7
57.03201	1.9
57.03439	22.3
57.07072	5.8
61.02924	11.2
65.03918	2.5
67.05508	57.5
69.03433	50.1
69.07071	52.9
71.04995	11.0
71.53036	2.7
73.02919	8.6
79.05486	22.6
81.02988	2.2
81.03429	21.9
81.07060	84.9
83.01341	1.8
83.04984	3.7
83.08625	32.3
85.02908	100.0
85.06532	6.3
87.03984	2.2
87.04467	8.2
91.03949	2.1
91.05483	17.6
93.07048	29.6
95.04958	4.1
95.08614	67.7
97.02901	29.4
97.06519	10.0
97.10166	22.9
99.04447	7.2
99.08077	4.9
101.02403	2.6
103.03934	5.6
105.07014	12.9
107.08599	23.1
109.02880	17.4
109.06502	4.1
109.10161	29.4
111.04403	1.7
111.08074	7.5
111.11710	13.6
113.09649	1.8
115.03894	2.6
117.05460	3.4
117.07045	2.2
119.04908	2.3
119.08572	13.1
120.08068	3.4
121.10155	30.6
123.08047	3.7
123.11699	14.4
125.09624	5.3
125.13229	2.9
127.03925	24.3
129.05479	6.5
133.10146	14.2
135.11699	25.1
137.09590	5.9
137.13258	10.6
139.11194	6.5
144.83673	1.8
145.04985	10.7
145.10107	2.2
147.04414	8.1
147.11696	10.0
149.13239	11.0
151.11157	5.1
151.14801	5.8
153.12744	7.2
159.06682	1.9
161.13251	7.9
163.03905	2.6
163.14796	2.5
165.09119	3.6
165.12746	4.4
175.14789	3.2
177.05618	2.2
179.14253	3.9
183.06500	2.4
201.07608	5.3
215.17796	2.4
217.19522	25.3
219.08676	2.0
235.20560	32.8
235.24216	1.8
253.21651	27.0
277.36694	1.9
291.23209	4.6
309.24210	19.0
309.27628	3.9
327.25311	98.3
345.26361	71.4
435.27884	2.7
453.28519	2.7
457.25809	1.8
471.29526	7.0
507.31860	26.3
510.31897	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	507.3683
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.96656	1.8
51.12490	1.8
52.34663	1.8
53.03942	3.4
54.71669	1.8
55.01864	5.2
55.05517	30.8
57.03439	9.4
57.07075	15.8
59.05006	3.1
65.03966	4.0
67.05508	100.0
69.03442	4.4
69.07066	21.4
71.04994	4.3
71.08611	8.8
79.05495	28.2
81.03446	2.3
81.07056	62.2
81.07529	3.2
83.04991	2.9
83.08621	15.9
85.06541	4.0
85.10183	5.8
85.79676	1.9
85.83975	1.8
91.05482	21.6
92.18134	1.8
93.07051	33.9
95.04942	4.1
95.08607	45.7
97.06551	3.5
97.10176	14.7
98.21507	4.7
99.08070	3.0
105.07030	18.0
107.08603	27.4
109.06485	3.0
109.10160	59.3
111.08088	5.9
117.07017	6.2
119.08589	19.9
119.88877	2.1
121.10150	16.2
123.11697	6.3
125.09660	9.4
131.08566	15.2
133.10133	13.1
135.08087	2.3
135.11682	13.5
137.09599	3.3
137.13246	3.4
143.08554	5.8
144.26538	1.8
145.10107	14.2
147.11703	9.5
149.13274	6.7
155.10646	3.2
157.10197	3.0
159.11688	11.0
161.13257	9.4
163.14839	4.5
171.11682	3.3
173.11743	12.3
173.13306	7.1
175.14880	3.0
176.99263	2.9
177.12723	1.9
185.13240	5.1
187.14821	3.9
189.11223	9.2
195.00294	67.1
199.14725	2.5
225.60641	1.8
227.12769	12.7
229.14354	38.0
231.15781	2.7
241.19533	3.3
243.21069	4.4
259.20621	2.4
261.22107	20.4
263.23962	2.3
277.21701	2.0
313.27332	18.3
317.24591	5.5
335.25775	24.0
369.04962	2.1
379.30093	3.6
397.31128	6.5
415.32101	6.0
433.33035	5.5
471.34573	6.7
489.35681	56.8
494.61496	2.4
507.26526	10.9
507.36752	40.7
514.56012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03941	3.0
55.01870	2.0
55.05514	27.8
57.03437	8.5
57.07078	8.9
59.04993	2.5
65.03941	3.4
67.05508	100.0
69.03437	2.4
69.07067	18.8
69.85110	2.2
69.85526	3.7
71.04983	4.5
71.08278	1.0
71.08617	5.0
79.05494	32.1
81.03414	2.9
81.07059	70.1
82.03757	1.9
83.04519	1.0
83.04981	4.7
83.08623	17.0
85.06528	3.3
85.10190	2.4
91.05484	28.0
93.07049	40.6
95.04967	5.1
95.08608	49.8
97.06503	3.9
97.10180	14.9
99.08080	2.7
102.26172	0.9
105.07036	19.4
107.08605	30.6
109.06504	2.0
109.10161	64.1
110.10516	1.4
111.08077	4.1
113.09642	1.8
117.07037	7.6
119.08584	23.8
121.10145	18.3
123.08121	1.3
123.11720	10.8
125.09636	13.0
127.11205	1.5
129.07014	3.0
131.08566	15.3
133.09232	2.0
133.10146	14.2
135.08029	1.9
135.11690	13.2
137.09592	3.6
137.13304	3.7
139.11188	3.2
141.06953	2.1
143.08563	3.7
143.33987	1.0
145.10130	10.2
147.11697	10.2
149.09612	2.3
149.13264	10.1
151.14870	1.0
153.09084	1.6
155.08507	1.5
155.10637	5.3
155.28326	1.1
157.10094	4.1
159.11693	11.4
161.13261	6.9
163.11214	1.9
163.14812	4.3
167.10620	1.7
169.10155	1.6
171.10260	1.5
171.11711	3.5
173.11732	13.2
173.13274	7.9
175.14774	1.2
177.12727	1.9
181.10080	1.1
183.11711	2.5
185.13245	3.9
187.13358	1.1
187.14845	4.4
189.11241	8.0
189.16393	1.8
195.00325	3.0
195.13844	1.6
197.13321	1.5
199.14865	2.4
201.16357	2.3
205.15926	0.9
211.14836	1.3
227.12750	9.2
229.14355	38.0
231.20947	1.1
243.21030	5.0
245.22842	1.1
259.20520	2.7
261.22162	29.3
263.20282	1.2
263.23532	1.3
271.20483	1.2
277.21545	1.2
279.23141	2.4
289.21494	1.3
317.24619	4.9
335.21994	2.1
335.25778	23.8
379.29901	3.1
383.25684	2.1
397.30988	6.8
403.28311	1.1
415.32217	7.7
433.33176	5.1
449.32684	1.4
471.34747	4.2
489.35800	54.9
507.26505	3.4
507.36777	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.02376	0.9
53.03946	2.9
55.01871	2.1
55.05268	1.6
55.05515	22.2
57.03448	6.6
57.07079	6.4
59.05001	4.1
65.03933	3.7
67.05511	100.0
69.03431	1.4
69.07076	15.2
70.57414	1.5
70.57758	1.7
71.04994	3.6
71.08628	3.1
76.37208	0.8
79.05498	30.9
80.17204	0.8
81.03434	1.1
81.07063	60.0
83.04980	2.2
83.08619	13.4
85.06539	2.7
90.35645	0.9
91.05486	19.4
93.07050	36.4
95.04997	3.2
95.08617	42.6
97.06551	2.6
97.10178	12.3
99.08089	2.9
105.07037	17.7
107.08602	25.2
109.06521	1.5
109.10162	62.2
111.08086	3.6
113.09692	1.3
117.07019	7.3
119.08592	17.5
121.06517	1.2
121.10159	16.3
123.08089	1.4
123.11719	7.4
125.09626	10.6
129.06963	1.9
131.08582	13.5
132.92088	0.9
133.10136	13.4
135.08072	2.1
135.11693	11.2
137.09596	3.2
137.13309	3.2
139.11168	1.5
143.08569	2.8
145.10135	12.1
147.11687	9.2
149.09644	1.1
149.13266	7.3
155.08620	1.2
155.10703	3.9
157.10153	3.5
159.11702	10.7
161.13297	6.6
163.11186	2.0
163.14857	4.9
169.10207	1.0
170.85262	0.9
171.11679	2.6
172.22183	0.9
173.11757	11.2
173.13289	8.3
175.14844	3.0
177.12758	1.4
183.11716	2.0
185.13309	2.7
187.14806	4.2
189.11244	6.5
191.14470	1.2
195.13678	1.0
197.13356	1.5
199.14865	2.8
201.16563	1.1
211.14769	1.3
213.16377	1.1
227.12773	11.1
229.14362	40.4
231.15884	1.5
241.19756	1.1
243.21056	3.6
247.05283	0.9
259.20633	2.6
261.18802	1.1
261.22134	22.5
261.24866	1.5
263.23752	1.4
278.83542	0.9
279.23199	2.2
285.22183	1.0
289.21564	1.9
291.23364	1.2
299.23773	1.2
313.25708	0.9
317.24823	4.1
335.25827	28.0
351.25235	2.1
373.50998	1.0
379.30069	2.5
397.31094	6.4
415.32028	7.4
433.33154	6.3
435.30881	0.9
449.32593	1.4
471.34677	5.0
489.35760	53.0
507.36176	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01865	1.6
55.05516	12.1
57.03450	2.5
57.07080	30.3
65.03937	1.7
67.05511	40.6
69.03440	1.6
69.07069	16.8
69.15922	2.6
69.16253	12.3
69.97249	1.0
71.05032	2.6
71.08638	18.8
79.05502	20.5
81.03435	3.0
81.07063	56.7
83.05002	4.0
83.08625	17.1
84.83046	1.1
85.06562	2.3
85.10200	7.9
91.05501	10.9
93.07053	29.7
95.04960	2.9
95.08613	27.1
97.06526	9.7
97.10169	7.9
99.08086	1.8
100.92898	1.4
105.07034	3.3
107.08602	16.3
109.10156	11.4
111.08099	2.6
111.11779	1.9
117.07071	3.2
119.08627	3.8
121.10149	10.8
123.08092	1.1
123.11771	4.6
131.08620	4.7
133.10164	5.2
135.08070	1.6
135.11746	4.0
137.13306	2.0
139.11205	1.9
145.10074	1.7
149.13281	18.5
157.10223	1.2
159.11731	9.4
177.12726	5.7
195.13808	8.3
214.53662	1.1
221.15451	3.1
229.14406	1.3
239.23769	6.3
253.14696	1.2
299.20001	2.7
507.40631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23328	0.6
68.38444	0.7
70.45179	1.6
70.45567	1.4
94.93024	100.0
98.20886	0.8
106.79542	0.7
120.08121	1.0
137.17807	0.7
164.66798	0.7
166.91467	72.2
176.31662	0.7
253.00095	0.8
265.79245	0.7
332.84064	0.8
381.07986	27.8
385.11411	0.7
490.44632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03090	0.4
69.03434	4.9
71.07142	0.2
71.25974	0.3
71.26319	0.4
79.05478	0.9
79.22136	0.3
80.95657	0.2
81.03405	0.9
85.02934	0.6
89.03914	4.5
90.59723	0.3
97.02892	0.4
107.04979	1.6
109.02858	0.7
110.70055	0.2
117.03391	6.9
127.03929	2.6
135.04422	13.7
139.03947	0.4
145.02856	11.3
149.02307	0.4
163.03908	100.0
164.04266	0.3
167.03406	1.9
181.04955	1.7
185.02791	0.5
185.04469	9.9
209.04457	0.5
266.66641	0.3
307.08124	4.1
325.09155	4.2
476.16733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.95740	0.3
55.01854	0.3
55.05508	0.6
57.03421	0.3
61.02920	0.4
63.02342	0.4
67.05503	1.8
69.03432	2.6
69.07077	0.6
69.21630	3.2
71.05012	0.4
71.43944	0.3
74.06828	0.4
77.41537	0.3
79.05492	2.5
81.03426	4.5
81.07043	1.6
83.04985	0.3
83.08613	0.6
85.02911	2.1
86.09703	1.0
89.03925	5.2
91.05476	1.6
93.07037	1.5
95.04939	1.0
95.08613	0.9
97.02894	1.6
99.04427	0.4
105.07036	1.1
107.04961	3.2
107.08579	1.1
109.02907	1.9
109.10158	1.2
111.04451	0.8
117.03388	8.8
117.06983	0.6
119.08570	1.6
121.10149	0.7
123.04429	0.4
123.11665	0.5
127.03912	1.6
133.10162	0.6
135.04428	20.7
135.11708	0.7
137.02406	0.8
137.05969	0.5
137.09596	1.4
139.03911	0.7
145.01770	0.7
145.02869	9.7
145.03990	0.7
145.04967	0.7
145.10106	0.9
147.04393	1.1
149.02348	0.5
149.09583	0.4
159.11786	0.4
163.03917	100.0
163.11220	1.4
165.09120	11.1
167.03403	1.5
177.05458	0.5
181.04980	3.4
185.04477	6.6
187.60526	0.4
203.11011	0.4
205.12251	1.1
209.11714	0.6
223.06165	0.5
265.14523	0.4
289.21378	0.4
303.03937	0.3
307.08109	4.2
325.09158	2.9
491.26544	0.5
509.21005	1.4
509.27725	0.8
509.34213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55107	0.2
52.80407	0.2
53.03936	0.6
54.20463	0.2
55.01880	0.3
55.05515	0.3
56.04429	0.2
60.82008	0.2
63.02380	0.6
67.05508	0.7
69.03420	0.8
69.07054	0.3
70.06596	0.2
79.05489	1.4
81.03421	2.1
81.07047	0.7
83.08624	0.4
85.02895	1.1
89.03922	7.9
89.87743	0.3
91.05466	0.8
92.06464	0.2
92.79018	0.2
93.07047	0.4
95.04987	0.7
95.08606	0.5
97.02895	0.7
98.20795	0.5
99.04472	0.3
105.06986	0.3
106.17796	0.3
107.04966	2.5
107.08592	0.5
109.02873	0.8
109.10152	0.6
111.04485	0.3
117.03387	8.9
119.04937	0.4
119.08581	0.3
121.02896	0.2
127.03897	0.5
135.04425	18.1
136.01663	0.2
137.05971	1.1
139.03914	0.4
145.02858	12.3
145.10106	0.3
146.71985	0.2
147.04454	0.6
149.02351	0.9
163.03915	100.0
164.04291	0.4
167.03429	1.8
175.03932	0.4
176.04205	0.2
176.09985	0.2
179.07097	0.5
181.04997	0.5
185.04468	9.2
186.05464	0.3
199.03842	0.2
207.06578	0.6
208.06870	0.5
209.04382	0.5
209.11743	0.2
209.35535	0.2
227.05566	0.3
307.08105	2.0
325.09198	0.6
407.68170	0.2
491.26025	0.6
509.27451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
53.11218	0.1
53.95795	0.1
55.01871	0.2
57.03443	0.2
63.02394	0.4
69.03434	0.8
79.05506	1.1
80.77276	0.1
81.03428	3.3
85.02917	1.2
89.03930	6.1
91.05476	0.3
95.04972	0.4
95.36941	0.1
97.02908	0.5
99.04471	0.4
105.06998	0.1
107.04964	2.1
109.02895	1.2
111.04485	0.1
112.55377	0.1
117.03399	8.2
127.03941	0.6
134.54683	0.1
135.04433	16.3
138.69667	0.1
139.03876	0.1
145.02867	12.2
149.02347	0.2
163.03925	100.0
164.04271	0.4
167.03426	0.4
181.04991	2.9
185.04489	2.4
186.05530	0.4
188.37250	0.1
260.79761	0.1
307.08157	4.9
317.20819	0.1
318.90891	0.2
325.09229	2.4
347.07425	0.2
506.98346	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	509.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54476	0.9
55.01899	0.9
57.03434	1.2
59.78455	0.9
61.02930	0.8
68.99763	0.8
69.03429	15.9
69.52954	1.5
69.53354	4.6
79.05478	1.6
81.03429	1.8
85.02918	5.3
89.03920	4.9
89.44247	0.7
95.04962	1.0
97.02892	12.0
99.04459	1.4
101.02361	1.1
107.04970	2.9
109.02856	2.0
111.04420	1.9
115.05408	1.2
117.03381	6.0
121.02879	2.6
123.04439	4.6
127.03920	8.0
129.07005	1.5
131.04951	1.2
133.62955	0.9
135.04416	100.0
137.02316	2.5
137.05998	1.3
139.03918	5.8
143.03487	0.9
145.02859	2.5
145.04976	3.1
146.03651	0.9
147.04442	1.6
149.02342	6.0
149.06018	1.4
151.03815	1.0
156.17291	0.9
161.05972	3.9
161.07118	0.9
161.19226	0.9
163.03905	64.7
164.04631	3.3
165.05537	1.2
167.03419	16.0
169.05113	1.1
169.06595	2.2
173.06044	1.6
177.05539	2.7
179.03348	1.5
181.04980	5.7
185.04457	80.5
187.07513	1.2
189.05417	1.9
191.07173	0.9
197.05954	1.6
201.05429	1.1
203.07028	1.2
209.04439	4.4
211.02325	0.9
213.05449	2.3
215.07045	1.3
217.04974	1.8
231.06563	1.9
243.06529	1.8
247.06123	2.2
259.05988	10.5
307.08298	2.1
325.09259	3.9
347.07690	2.8
470.55881	0.9
503.12109	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
54.24311	0.2
57.44828	0.2
57.51860	0.2
59.83693	0.2
63.02365	0.4
64.25422	0.2
69.03089	0.4
69.03438	5.5
69.77937	1.4
79.05499	1.4
81.03416	0.9
85.02895	1.3
89.03925	7.1
95.04989	0.3
97.02901	0.6
107.04972	2.3
109.02850	0.5
117.03390	10.5
119.50057	0.2
121.02881	0.7
127.03915	1.9
135.04427	18.6
136.01544	0.3
139.03897	0.8
141.30626	0.2
145.02864	13.9
145.03906	0.5
147.04443	0.3
149.02327	1.3
163.03911	100.0
164.04189	0.4
167.03406	4.2
171.78743	0.3
181.05023	1.2
185.04468	23.7
209.04427	0.7
307.08206	2.7
323.77112	0.2
325.09250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18490	0.4
63.02371	0.6
69.03432	5.7
70.59605	0.4
71.52674	0.7
79.05489	0.7
81.03412	1.0
85.02911	1.4
86.09706	0.7
89.03924	6.2
97.02903	1.2
99.04515	0.4
107.04978	2.0
109.02868	0.6
117.03391	7.7
120.08120	0.5
121.02896	0.5
127.03924	2.3
133.34033	0.4
135.04430	15.0
139.03958	0.7
140.40154	0.4
145.02870	10.9
145.04019	0.8
149.02339	0.6
151.03955	0.4
163.03917	100.0
164.04237	0.5
167.03409	2.0
177.05478	0.8
179.63432	0.4
181.04930	1.5
185.04469	10.2
186.05534	0.6
191.10782	0.5
191.63924	0.5
195.02834	0.5
209.04482	0.6
234.91156	0.4
237.03972	0.6
263.05545	1.0
307.08151	3.8
325.09213	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	509.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01883	3.7
55.05509	0.7
57.03434	1.2
61.02921	2.4
67.05496	0.8
69.03439	7.1
69.07068	0.7
70.06593	1.9
70.08846	2.5
71.05010	1.1
72.08154	2.2
73.02927	0.7
81.03436	3.1
81.07073	0.6
84.04517	1.0
84.08142	0.8
85.02919	16.4
86.09718	4.7
88.03989	0.8
91.03957	0.6
91.05485	2.7
93.03385	0.7
93.07024	0.8
94.85919	0.5
97.02896	5.5
99.04454	1.1
107.04958	0.8
109.02882	2.0
111.04445	2.1
117.03362	0.7
119.04958	1.5
120.08131	3.1
123.04481	0.7
125.02354	4.8
126.81242	0.5
127.03931	4.0
129.06975	0.5
135.04436	3.3
136.07600	14.1
137.02318	2.0
142.08632	0.9
143.03416	0.9
145.02850	1.3
145.04988	2.4
147.04417	2.4
148.96243	0.6
149.02345	2.1
153.01837	3.7
163.03934	15.5
167.03394	1.9
169.01343	1.5
171.02914	1.6
171.04393	0.9
175.03839	0.6
177.01805	1.1
177.05524	0.8
185.04468	10.4
187.02489	0.6
187.03873	3.2
187.10831	2.0
189.05476	0.9
191.03426	0.6
195.02921	19.1
199.03963	3.5
201.12396	0.9
203.03479	0.8
205.04971	2.8
215.10274	1.6
217.05022	1.8
219.02968	1.0
223.91301	0.6
227.03362	0.9
231.17261	0.8
234.16722	0.6
237.04021	2.1
245.04469	3.1
251.10365	0.6
263.05542	100.0
264.05991	1.3
279.09854	1.0
294.10471	0.9
295.16586	4.0
305.06326	1.0
315.13544	0.7
329.06784	1.1
347.07581	6.0
347.11237	0.6
348.09290	0.7
348.78360	0.5
425.10767	1.2
465.90796	0.5
496.64792	0.6
509.22641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside
Peak:m/z	Relative Intensity
50.89906	0.6
51.29840	0.5
52.00188	0.5
53.03950	1.8
55.01874	1.8
57.03439	1.9
58.26875	0.5
61.02925	3.8
65.03936	0.7
68.99810	0.6
69.03439	8.4
69.68601	3.4
70.06619	0.9
71.01340	1.1
71.04991	1.2
73.02927	1.3
76.02258	0.6
79.05487	0.9
81.03427	5.8
84.04543	0.8
85.02916	21.7
86.09727	1.7
87.04467	0.7
91.03973	1.0
91.05489	1.0
93.03410	0.6
93.07054	0.8
95.01328	0.9
95.78896	0.6
97.02901	7.8
98.21446	1.1
99.04478	1.2
102.05532	0.6
107.04976	1.0
109.02892	4.5
111.04506	1.1
113.02402	1.1
119.04955	0.9
120.08169	1.1
121.02908	1.1
123.04447	0.9
125.02388	1.1
127.03934	4.2
130.05034	0.9
135.04398	1.4
136.07574	0.9
137.02359	87.5
145.02855	1.2
145.05000	3.2
147.04468	2.9
149.02386	4.5
153.01927	0.8
163.03923	10.1
163.07510	0.6
165.05489	1.5
167.03441	7.2
169.01347	1.2
173.02324	1.5
174.44006	0.5
175.03920	0.8
183.02911	0.9
185.04529	1.0
185.06030	1.2
187.02464	0.7
191.03319	0.8
193.01353	6.7
193.04895	1.0
195.02895	4.2
203.03560	0.7
211.02399	28.4
211.05838	5.7
213.05547	2.8
219.02884	4.7
237.03966	9.8
241.04961	3.0
245.04422	0.8
247.06203	0.6
250.51718	0.7
251.03564	0.7
259.06244	2.7
263.05511	4.4
269.04449	11.2
287.05518	14.1
305.06589	54.7
306.06885	0.6
311.05453	2.8
329.06570	16.0
345.04248	0.6
347.07645	100.0
348.08035	0.9
509.22949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43434	1.4
55.01664	1.4
55.01879	13.8
61.02929	2.9
67.05493	1.8
69.03430	4.6
69.23141	1.3
70.15380	4.8
79.05511	1.7
81.03413	2.3
81.07051	3.2
85.02918	4.0
93.06995	1.3
95.04997	1.7
98.20785	1.6
105.07010	2.7
127.03958	1.5
133.10110	1.7
144.33235	1.3
155.03436	1.8
170.49223	1.4
176.48425	1.6
179.03441	2.8
184.07133	1.3
191.75125	1.3
197.04488	4.0
206.16939	1.4
220.12674	1.3
221.04524	2.9
237.12904	1.9
243.14296	1.5
251.07021	8.4
259.07727	1.3
261.09247	1.3
261.12732	3.3
274.10114	1.7
277.08566	2.9
285.08658	1.8
287.06995	1.9
288.07843	3.0
289.04950	1.7
289.08719	3.1
289.12259	5.2
291.06592	5.5
291.09912	1.5
293.11734	22.5
299.07013	1.8
301.08551	3.9
303.06607	2.8
303.13843	3.3
304.07397	2.6
305.08310	3.0
305.14178	3.8
312.07996	2.5
313.08344	1.8
314.09485	2.1
315.06577	3.6
316.07465	2.3
317.04684	3.3
317.08194	2.9
317.11578	7.9
318.05331	2.3
319.06076	9.8
319.13464	3.7
326.09622	1.6
327.06357	2.1
328.07266	2.4
329.08060	8.5
329.11841	10.4
330.08875	2.0
331.06073	6.5
331.09711	4.5
331.13202	2.8
333.11246	3.9
335.12692	12.7
341.08203	1.7
343.13309	5.3
345.11276	8.3
345.14951	3.4
347.12573	24.6
355.09528	3.0
355.13342	7.9
357.11002	6.8
359.12778	10.4
361.10693	75.0
363.11981	1.6
371.12750	13.5
373.10449	8.5
373.14682	13.0
375.12308	22.6
379.11850	10.7
383.12811	3.3
385.10458	3.3
387.12253	4.7
391.11679	2.9
399.12390	9.0
401.09125	8.6
401.14703	11.0
403.11667	8.1
411.12299	2.6
417.13351	26.7
419.11316	7.2
427.12106	7.7
429.13397	30.2
431.11169	11.6
445.12857	39.3
447.14444	5.2
453.52347	1.6
463.13913	37.4
491.06223	1.9
491.13397	55.2
509.14481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01873	1.1
57.03423	1.9
59.72924	0.5
61.02641	0.6
61.02923	2.4
65.69549	0.4
69.03436	6.5
69.63663	3.1
69.63977	0.7
69.64108	0.4
71.04997	0.9
71.39070	0.4
73.02898	1.1
81.03420	3.1
85.02912	28.1
85.52637	0.5
86.09713	0.8
87.04504	0.9
91.03957	1.9
93.03348	0.6
97.02901	9.3
99.04441	1.4
109.02914	3.0
111.04399	0.8
120.08126	1.7
121.02859	2.0
123.35610	0.5
127.03930	6.4
136.01573	1.0
139.03905	2.2
143.03444	1.0
145.03920	0.8
145.04979	9.8
149.02354	4.2
163.03899	0.9
163.06036	2.1
167.03415	15.0
184.41785	0.6
185.04469	100.0
186.04849	0.5
195.02988	0.8
209.04318	1.0
227.05478	1.1
251.05522	1.2
263.05545	4.5
287.20105	0.5
465.32504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.06669	0.4
55.01865	0.5
57.03426	1.3
61.02934	2.6
65.03932	0.5
69.03147	0.4
69.03432	4.2
70.92322	0.5
70.92648	0.6
71.04996	0.4
73.02913	1.0
81.03422	2.2
85.02906	25.7
87.04507	0.5
91.03937	0.8
93.03371	0.5
97.02894	7.1
99.04446	1.4
109.02882	2.7
111.04448	0.5
118.23859	0.4
121.02835	1.4
121.03642	0.4
127.03920	5.6
139.03908	2.4
143.03354	0.9
145.04958	8.3
149.02382	4.0
163.06023	1.8
167.03403	13.4
185.04457	100.0
186.04852	0.4
209.04442	1.3
227.05461	0.8
251.05525	0.8
263.05542	0.6
293.06714	0.5
328.85007	0.4
347.09747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23315	0.4
57.03423	0.6
60.53929	0.4
61.02915	1.4
68.99748	0.5
69.03442	3.1
70.01173	1.5
73.02889	0.8
81.03414	0.9
85.02907	13.5
91.03964	0.6
97.02890	4.1
99.04453	1.0
99.49155	0.5
109.02886	1.2
116.38615	0.4
121.02847	1.6
127.03934	2.5
139.03926	3.0
143.03387	0.9
145.04964	4.2
149.02341	3.9
153.81203	0.5
163.06100	0.8
167.01974	0.9
167.03404	16.0
168.03702	0.4
177.05356	0.4
181.05017	0.4
185.04456	100.0
186.04808	0.4
197.04443	1.0
209.04413	1.9
227.05542	1.7
251.05557	2.0
263.05566	1.1
275.05487	0.5
293.06421	0.8
311.07715	0.6
329.08536	0.5
347.09625	0.6
367.04962	0.4
384.72839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05518	10.2
57.03447	6.2
57.07077	2.6
59.32721	0.9
63.90414	0.7
65.03930	1.3
67.05509	25.6
69.07076	15.0
71.53249	1.3
79.05502	7.4
81.06598	1.5
81.07066	28.1
83.08634	8.3
85.06577	0.9
91.05482	5.6
91.05959	0.8
93.07049	8.7
95.08613	19.7
97.06556	1.8
97.10178	3.5
98.97868	1.4
98.98473	16.4
105.07032	4.0
107.08590	3.5
109.10168	7.9
111.11678	1.0
119.08578	3.4
121.10134	2.5
123.11714	2.7
133.10110	4.4
135.11674	1.9
145.10052	1.0
147.11728	2.0
149.13261	1.5
155.01016	2.7
161.13257	1.1
173.02089	3.2
175.14923	1.2
197.13313	1.0
205.31554	0.8
245.22670	1.2
263.23544	2.0
333.27234	1.0
337.27393	100.0
473.26398	1.7
509.36115	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31639	5.2
55.01864	14.5
55.05518	58.5
57.03428	14.9
67.05180	7.6
67.05507	77.3
69.03417	9.6
69.07056	26.7
69.14901	34.1
69.15314	13.6
69.43053	5.0
70.06577	7.3
71.04983	19.5
79.05502	96.3
81.03423	33.2
81.07063	94.7
81.63068	4.5
83.04978	18.6
83.08617	30.6
85.02892	12.2
85.06540	7.2
89.69574	5.2
89.70116	5.1
91.05490	68.6
93.07046	72.5
95.04975	83.1
95.08605	38.5
97.02898	8.5
97.06522	15.1
97.10178	48.5
105.04536	5.7
105.07049	49.8
107.04965	68.4
107.08590	49.1
109.06538	51.4
109.10170	24.0
111.04479	6.8
111.08085	8.3
117.07069	27.1
119.08566	24.6
121.06519	38.1
121.10140	36.4
123.08050	19.3
123.11700	7.6
125.09638	43.5
129.06975	14.7
131.08563	32.6
133.06480	15.7
133.10120	16.9
135.08049	27.4
135.11688	19.2
137.05896	5.5
141.06978	8.6
143.08563	8.0
145.06490	21.3
145.10136	19.1
147.04413	5.9
147.08046	15.6
147.11659	7.8
149.09564	12.0
151.11217	9.8
153.09091	10.3
155.08502	9.2
157.06528	5.6
157.10126	10.5
159.08049	6.1
159.11671	10.7
161.09665	9.2
163.03917	12.0
163.11205	17.6
167.10689	15.8
171.08075	8.2
173.09650	9.4
173.13202	6.3
175.11214	11.0
177.12639	5.6
187.14885	5.6
189.09489	5.2
189.11206	20.6
191.14375	12.3
193.12231	12.6
195.11731	6.4
199.11166	4.9
199.13354	16.2
209.13399	6.0
219.13768	30.4
223.13246	12.5
227.12781	22.3
233.15323	14.3
237.14922	6.6
243.13670	5.0
267.15936	14.1
273.14740	13.7
273.17310	9.2
283.15347	9.1
293.17502	19.7
347.14929	5.7
349.21561	14.7
357.24557	6.6
367.22720	67.3
385.23776	73.4
403.24973	26.4
441.26096	18.6
459.27466	100.0
477.28598	64.4
491.30505	37.3
509.27066	26.0
509.30609	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	510.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20237	0.3
55.69999	0.3
69.17833	2.6
71.22085	0.3
75.16932	0.3
79.05507	0.6
91.05499	0.7
93.07045	1.4
98.21530	0.7
103.05466	6.4
107.04945	1.1
116.27846	0.3
120.08109	100.0
121.08432	1.7
123.04437	0.5
131.04951	2.3
136.54352	0.3
140.98976	0.3
141.10367	0.3
147.04420	0.3
149.06021	2.2
166.08644	54.7
167.08977	1.0
168.09238	0.3
181.77431	0.3
183.02942	0.4
196.11035	0.3
310.40952	0.3
322.10925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2732
Annotation	Penochalasin A
Peak:m/z	Relative Intensity
53.03941	3.1
55.01885	2.6
55.05513	21.5
57.03422	3.9
58.99581	8.7
67.05508	20.8
69.03434	10.6
69.07073	27.5
69.86974	8.9
70.06586	4.9
71.04975	3.2
71.69896	2.1
74.00663	2.3
76.02232	9.2
79.05486	17.8
80.05013	8.7
81.03419	38.7
81.07060	28.7
83.04976	4.8
83.08615	6.3
85.01140	2.2
85.02915	9.2
86.00639	3.6
86.09673	2.0
86.99054	5.5
88.02225	12.6
88.03994	17.4
91.05477	20.9
93.07047	33.6
95.04967	13.3
95.08609	33.0
97.01120	6.2
97.02876	5.4
97.06530	8.1
97.10175	43.1
98.21430	2.7
99.02692	3.1
105.00082	6.4
105.07038	19.4
107.04991	2.9
107.08596	25.7
109.06518	7.5
109.10161	35.6
111.02671	5.2
111.08157	2.2
111.11716	5.4
117.07069	6.1
119.08588	24.1
120.01167	2.5
121.06527	3.7
121.10140	21.8
122.02726	35.8
123.08038	3.3
123.11734	5.3
125.04269	2.8
125.09639	9.1
126.86487	2.0
131.08580	8.1
132.01169	3.9
133.10138	23.1
134.02699	3.6
135.08060	26.4
135.11694	8.8
137.02357	5.2
137.09621	11.4
138.03676	2.4
139.11192	14.6
143.08589	3.5
143.10721	10.9
145.10127	6.3
147.11739	4.5
149.09645	14.8
151.05774	3.9
151.11186	17.7
153.12692	3.4
157.10008	2.7
159.11688	2.8
161.09637	9.0
163.03949	2.7
163.11185	4.8
165.07318	3.7
165.09207	4.5
167.03433	2.2
169.06845	6.8
171.11647	2.6
179.10675	29.7
184.04257	5.1
185.04533	2.7
193.06775	2.5
193.12344	3.3
199.07832	5.3
210.90388	1.9
211.02284	2.1
223.13277	2.5
227.16389	2.4
271.20511	3.1
289.21625	6.3
299.20206	5.4
305.21063	3.4
317.21103	28.5
323.22229	3.8
335.22211	16.5
348.08093	6.1
353.23291	3.5
355.19614	2.6
367.19403	4.7
368.26840	2.2
385.20187	11.4
410.23691	3.8
426.23495	3.3
438.23126	9.1
444.24149	10.0
456.24213	39.7
462.25266	2.5
474.25272	44.6
492.26212	43.0
510.19717	4.8
510.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.9
57.07079	4.8
58.99594	6.5
67.05515	21.3
69.03436	8.2
69.07074	58.6
71.52601	4.1
76.02229	12.5
79.05485	21.8
80.05003	4.8
81.03433	8.3
81.07066	46.1
83.04978	7.7
83.08622	8.4
85.02908	4.8
86.09736	2.7
88.02218	8.9
88.04008	23.5
91.05492	18.5
93.07056	31.9
93.53064	2.9
94.06544	2.7
95.04977	10.0
95.08629	26.8
97.01104	5.9
97.06532	9.0
97.10177	62.4
105.00092	6.7
105.07061	14.9
107.04959	4.9
107.08608	11.2
109.06503	7.5
109.10191	16.8
111.02674	3.5
111.08089	4.5
111.11714	22.1
115.11227	4.3
117.07028	5.3
119.08596	27.8
121.06520	7.3
121.10164	19.5
122.02747	36.9
123.02662	5.0
123.11731	7.0
125.04211	3.8
125.09640	3.7
131.08621	7.8
133.10130	13.7
135.08051	35.2
135.11691	4.9
137.09666	9.5
139.11188	39.4
143.08527	3.3
145.10168	5.4
147.07991	3.1
147.11758	3.1
149.09636	14.1
151.05858	5.6
151.07564	3.5
151.11253	8.5
152.05327	3.1
157.10246	3.5
157.12250	29.2
159.11751	3.3
161.09659	8.1
163.03943	4.4
163.11250	4.7
165.07303	3.9
165.09180	3.5
167.08913	3.1
171.11662	3.2
173.09718	3.3
173.13252	3.3
177.09189	14.8
179.09207	3.3
179.10733	10.6
203.12819	10.4
212.07503	4.2
220.96184	3.3
274.76602	2.6
277.21451	2.7
289.21619	5.5
299.20090	7.8
306.86844	2.9
317.21204	28.7
323.22229	4.1
329.51825	3.0
335.22058	20.3
367.19394	7.7
385.20502	8.9
410.23532	5.6
438.23099	9.3
444.24252	10.1
456.24149	39.3
457.23303	3.6
474.25223	41.1
492.26334	41.2
510.27444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.40965	0.3
57.07085	2.7
58.06577	1.4
65.03926	1.4
66.75072	0.3
67.05480	0.6
67.39355	0.3
67.71928	0.3
68.05000	0.5
68.13567	0.3
70.06596	11.6
70.53231	1.0
71.08607	1.1
72.08163	1.7
75.58150	0.3
79.05479	0.8
81.07045	0.6
84.08145	1.7
86.09711	2.5
88.07632	2.2
89.06055	0.4
93.07041	0.4
102.09177	0.8
103.01823	0.4
107.08578	0.3
114.09187	0.5
132.10204	5.2
139.03825	0.7
146.11758	6.0
149.02354	42.5
149.03436	2.4
193.04973	46.4
212.23773	1.2
237.07584	59.2
238.07913	0.3
238.25403	1.1
240.26776	0.4
242.22974	0.3
256.26291	2.2
281.10254	1.5
300.28986	23.5
349.88559	0.4
402.17114	0.4
406.89627	0.4
448.30676	1.7
510.34293	100.0
511.34619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.9
57.03437	5.5
57.07084	72.1
61.02916	4.4
67.05513	24.3
69.03426	4.7
69.07078	14.7
71.08637	65.4
71.53468	2.6
79.05506	2.9
81.03415	7.6
81.07068	33.6
83.08215	2.2
83.08628	24.3
85.02915	14.3
85.10191	34.0
91.03884	2.0
95.08617	55.2
97.02912	9.0
97.10182	13.8
99.04439	2.7
99.11728	2.7
100.11448	2.2
104.44764	2.1
109.02887	2.9
109.10165	24.5
111.11706	3.8
123.11709	11.0
127.03897	12.1
128.29707	1.9
137.13266	6.3
145.04947	6.3
149.03047	2.0
151.14827	1.9
199.06853	2.0
213.54004	1.8
221.22557	3.8
224.67836	1.9
233.50903	2.1
239.23708	58.7
257.24768	5.0
294.78781	1.9
313.27390	100.0
329.26825	3.6
331.28345	22.8
368.07129	1.9
383.27982	25.6
386.62436	2.1
401.29010	62.9
503.63434	2.0
510.37274	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	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53879	0.9
55.05505	3.7
57.03447	3.9
57.07080	33.0
60.08142	1.3
61.02915	2.9
67.05509	8.3
69.05679	0.7
69.07069	5.8
70.30352	0.7
71.07365	0.7
71.08636	23.0
75.04471	1.6
79.05505	1.2
79.54808	0.7
81.07066	11.0
83.08627	9.5
85.02898	2.9
85.10186	14.6
86.09702	4.6
89.06033	1.1
91.03939	1.3
95.08613	19.8
97.02861	1.0
97.10175	5.0
99.11734	1.1
103.07661	0.8
104.10755	12.5
109.10167	8.8
111.11691	0.7
123.11725	3.6
124.99992	2.9
137.13260	1.6
140.53247	0.8
147.04436	1.1
179.02396	0.8
184.07364	12.3
206.84236	0.7
221.22678	1.4
227.20062	1.2
228.20522	1.3
239.23705	26.0
257.24759	3.5
313.27383	100.0
331.28433	16.4
338.27747	0.8
364.33621	0.8
369.42905	0.8
385.82556	0.7
475.32959	1.2
510.35886	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83221	0.4
55.01866	0.6
57.03434	0.4
61.02917	1.0
69.03431	2.3
70.54872	1.2
73.02896	0.5
81.03412	1.0
85.02433	0.7
85.02912	10.2
91.03972	0.5
95.04973	3.6
97.02892	2.8
99.04487	0.7
109.02892	1.1
113.22972	0.5
121.02874	0.7
123.04433	23.6
127.03925	1.9
136.84068	0.4
139.03908	1.2
143.03442	0.7
145.04999	2.6
149.02324	2.9
163.03870	0.4
165.05489	9.3
167.03415	11.2
173.02196	0.6
185.04466	100.0
219.02965	1.0
232.42467	0.4
237.03908	1.0
255.05005	0.6
317.70941	0.4
347.09784	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.2
53.03948	16.0
55.01868	13.9
55.04940	2.7
55.05519	34.4
57.03444	25.3
59.70822	2.4
61.02917	10.5
65.03936	3.1
67.05511	80.4
69.03096	2.8
69.03439	46.7
69.07076	23.7
70.10258	5.1
70.10666	9.2
71.04996	15.3
73.02898	6.8
79.05078	4.1
79.05502	57.9
81.03429	68.3
81.07066	100.0
83.04972	23.7
83.08627	19.6
85.02924	31.7
85.06550	5.4
87.04455	3.1
91.03965	4.0
91.05490	74.6
93.07055	59.8
95.04979	20.9
95.08617	47.7
97.02908	38.4
97.06564	16.6
97.10167	8.3
99.04453	10.7
101.02399	4.3
103.03905	5.5
103.05506	2.7
105.06407	3.8
105.07045	52.1
107.04958	13.9
107.08605	39.1
109.02888	14.8
109.06511	11.0
109.10165	24.2
111.04443	7.8
111.08076	8.2
117.07044	25.1
118.39729	2.9
119.08594	46.5
120.67216	2.6
121.06490	6.2
121.10158	30.1
123.08105	7.4
123.11679	6.7
125.09604	7.2
127.03933	18.6
129.05457	6.5
129.07002	13.3
131.08580	36.9
133.06454	4.7
133.10130	41.1
135.08066	7.4
135.10840	2.5
135.11705	17.1
137.05928	3.4
137.09633	6.0
141.06953	4.3
142.07738	3.1
143.08575	9.9
145.04922	6.1
145.06487	5.0
145.10152	28.1
147.08046	5.9
147.11697	28.6
149.09613	14.7
149.13243	14.2
151.11169	7.9
155.08546	5.2
157.10121	11.5
159.08046	4.8
159.11723	24.4
161.09596	6.9
161.13249	6.8
163.07603	2.6
163.11156	11.3
165.12735	6.7
169.08708	2.5
169.10097	5.4
171.11674	11.8
173.04485	17.3
173.09619	4.3
173.13232	10.9
175.11200	6.2
175.14777	3.0
177.12723	8.3
183.06532	3.2
183.11705	5.6
185.09676	2.8
185.13177	3.3
189.11206	5.9
191.10626	3.3
193.10324	2.7
193.12193	8.7
195.12143	2.6
195.13838	11.5
199.14781	2.7
201.07681	3.1
211.13248	5.0
229.19470	4.8
239.17992	7.8
247.20583	8.2
257.19070	14.8
267.15985	5.4
269.17514	10.1
270.11362	2.5
275.16962	3.5
275.20084	58.2
285.17123	3.1
293.21219	4.9
310.86636	2.6
331.22824	3.3
340.78693	2.5
349.19772	5.0
349.23767	63.5
367.24936	6.2
383.22189	2.7
391.24829	3.3
395.20477	4.5
401.23456	3.6
413.21771	25.7
475.26495	7.0
493.27927	19.5
511.28970	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.7
53.76094	2.9
55.01865	10.2
55.05513	30.9
56.96579	2.6
57.03442	21.7
61.02932	8.0
61.42746	2.8
65.03947	5.4
65.41039	2.9
67.05507	80.0
69.03434	45.2
69.07071	19.0
71.04996	19.3
71.52463	3.2
73.02930	5.4
75.77650	2.9
76.75900	3.0
79.05499	58.4
81.03423	82.0
81.07061	100.0
83.01337	3.1
83.04980	23.5
83.08617	16.0
85.02914	29.2
85.06545	7.3
86.09704	3.7
91.05486	65.7
93.07046	55.1
95.04980	20.3
95.08611	42.4
97.02907	37.8
97.06537	11.3
97.10162	6.5
99.04476	16.5
103.05512	3.1
105.07036	51.2
107.04945	13.0
107.07432	2.9
107.08604	38.9
109.02885	13.0
109.06526	10.0
109.10165	26.7
111.04453	7.5
111.08083	8.9
113.06062	5.2
117.07030	24.5
119.08586	36.3
121.06485	6.1
121.10172	19.1
123.04434	2.8
123.08070	7.4
123.11700	6.9
125.09649	6.4
127.03902	14.5
129.05518	4.6
129.07001	10.0
131.08595	30.8
133.10144	38.6
135.08029	7.7
135.11664	17.5
137.09589	3.4
139.11234	4.0
143.08577	6.9
145.04973	3.8
145.10118	18.9
147.11681	20.3
149.09647	9.4
149.13261	17.4
151.11182	7.7
155.08527	5.4
157.10135	8.3
159.11687	15.8
161.09605	6.5
161.13359	7.0
163.11130	5.6
165.12706	4.6
169.10194	3.4
171.11740	3.5
173.04485	23.7
173.09596	4.6
173.13297	7.2
175.11237	4.4
177.12778	6.2
187.11131	3.1
191.14264	3.8
193.12210	8.0
195.11882	3.2
195.13695	16.5
211.13286	7.1
213.14861	5.9
227.12761	5.8
229.14290	5.3
229.19562	2.9
249.14883	3.2
256.07202	5.2
257.19073	11.4
267.15967	7.0
269.17471	10.7
275.17111	5.2
275.20084	35.6
283.15442	5.9
297.16971	3.6
303.15952	4.1
349.23755	39.6
355.14322	3.1
367.24680	4.1
395.20746	3.8
413.21741	47.4
457.26227	3.0
461.28702	3.7
462.86813	3.5
467.75769	3.0
475.26602	3.5
493.27795	15.3
511.28745	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01864	3.2
55.05272	2.0
55.05517	23.4
57.03444	23.3
57.07067	3.5
58.99584	4.6
60.08159	3.1
65.03938	5.7
67.05510	97.3
69.03448	11.9
69.07077	22.5
69.82169	10.8
70.99127	2.0
71.01362	21.4
71.04974	1.8
73.02926	23.2
75.04445	3.0
76.02235	10.1
79.05499	64.6
79.05959	3.3
81.07062	100.0
83.04964	7.5
83.08633	12.8
84.04490	2.9
85.02915	52.1
85.06537	2.9
86.09702	15.7
86.99086	2.0
91.05488	36.2
93.07050	76.2
93.07639	3.6
95.01337	12.2
95.04955	6.2
95.08612	82.9
97.02901	21.7
97.06548	8.3
97.10173	3.4
99.00819	6.0
99.04481	4.6
101.02371	7.0
103.03942	9.2
103.18378	2.0
104.10773	2.4
105.07036	29.5
107.07885	2.9
107.08604	40.3
109.06544	3.5
109.09469	3.6
109.10169	43.3
113.02366	24.6
113.41882	1.8
116.01692	5.2
117.07013	11.0
119.08591	26.2
121.06481	2.2
121.10143	38.9
123.08053	3.2
123.11716	12.8
125.00032	11.8
129.06981	3.0
130.04994	1.9
131.03421	11.9
131.08586	26.2
133.10172	20.4
135.11714	30.2
137.13242	6.3
141.01840	20.8
145.10152	17.6
147.11691	14.9
149.09584	1.8
149.13272	16.4
154.07500	1.8
155.08612	2.1
159.02890	7.0
159.06526	5.5
159.11717	14.9
161.13324	13.1
162.02242	4.2
163.14804	6.5
166.22528	2.1
169.04955	5.2
171.11670	3.1
173.13284	16.9
175.14815	6.1
177.16441	5.2
179.04855	6.2
184.07350	51.1
185.13260	2.2
187.06001	2.6
187.14865	7.6
197.04385	2.0
199.15016	2.5
201.16380	6.1
209.15033	2.2
215.05473	8.0
215.18001	2.0
231.40564	1.9
241.19426	2.7
243.21117	11.5
259.20651	2.8
261.22150	45.3
279.23300	2.9
285.22156	4.4
303.23184	8.8
317.24814	2.9
335.25824	49.6
353.26810	2.8
355.22430	3.0
363.25189	3.6
372.78833	2.3
419.24136	2.5
465.29291	2.3
475.26678	3.0
493.27802	5.9
511.29025	33.4
530.84241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25370	1.4
53.03943	3.5
55.05513	15.9
57.03421	3.0
57.07076	3.9
58.99577	6.8
59.04996	2.3
65.03953	1.9
67.05508	25.9
69.03424	5.1
69.06728	2.0
69.07074	29.0
70.02969	1.8
70.06591	7.7
71.04995	3.1
71.52789	2.2
74.59311	1.5
76.02231	13.1
79.05499	21.7
80.05016	6.1
81.03420	27.0
81.06589	3.3
81.07058	60.6
83.04977	4.2
83.08639	8.8
84.08112	2.1
85.01127	2.8
85.02883	2.0
85.06549	4.5
86.09715	2.4
86.99051	3.0
87.04481	1.8
88.02243	8.7
88.02798	1.4
88.03561	1.6
88.04002	17.2
91.05489	25.4
93.07048	42.4
94.06543	1.9
95.04963	17.0
95.08611	39.4
97.01118	8.9
97.02885	2.6
97.06531	7.9
97.10161	15.6
99.02686	2.9
99.08100	2.2
103.05504	2.3
103.65373	1.5
105.00091	5.2
105.07037	21.4
106.06565	2.4
107.04946	4.2
107.08603	31.1
108.08125	2.4
109.06522	13.3
109.10162	28.5
111.02690	3.9
111.08105	3.3
111.11732	4.9
113.00587	1.6
116.01633	1.5
117.07019	6.4
119.08583	21.8
120.08109	1.9
121.06520	8.6
121.10148	35.4
122.02737	38.2
123.02656	6.8
123.08065	4.2
123.11700	23.6
125.04256	3.1
125.09654	2.1
129.06964	2.2
130.07835	1.8
131.08580	8.7
132.01144	3.6
133.10136	23.9
134.02695	2.0
134.09644	2.1
135.08064	29.1
135.11708	11.4
137.04140	1.9
137.09615	11.2
138.03709	3.2
139.02098	1.7
139.11209	11.9
141.03712	2.8
141.12755	2.6
143.08560	4.0
145.10126	15.4
147.08072	2.2
147.11624	7.0
149.09625	6.3
149.13290	3.6
151.05765	3.3
151.11185	12.9
153.07356	2.7
153.12775	7.5
157.10158	5.3
157.12265	3.6
159.11687	8.8
161.09669	8.9
161.13257	2.9
163.11214	8.2
163.14888	2.4
165.07307	2.6
166.06871	2.6
166.08714	2.2
169.06847	1.9
169.12247	3.1
171.11694	2.6
171.13837	1.8
173.13249	3.9
175.11206	3.6
175.14836	3.6
179.10712	4.4
181.15807	1.5
183.08459	2.0
184.04294	6.8
185.13298	3.6
187.13348	4.4
187.14801	1.7
199.14908	2.2
201.09258	2.0
212.07487	1.7
213.07822	1.4
214.54352	1.4
235.00941	1.9
238.08945	1.7
249.84494	1.6
254.12025	1.9
255.21132	3.8
261.22214	1.8
273.22064	5.4
279.23303	3.4
283.20615	3.4
289.21533	4.3
291.23230	10.1
301.21594	14.4
307.22568	1.8
314.61090	1.6
319.22696	42.7
333.19092	1.8
335.20480	2.7
337.23709	9.0
339.19879	2.8
351.20056	2.4
353.21817	2.2
361.82513	1.7
369.21078	6.3
376.23386	2.4
377.21667	2.9
394.24109	5.4
404.22662	2.1
412.24905	2.4
413.23718	1.9
422.23489	6.4
428.24741	5.3
440.24683	16.3
441.22864	2.3
444.85806	1.7
446.25775	4.1
458.25735	47.2
459.24066	3.1
476.26801	39.2
494.27875	37.7
512.28900	100.0
528.95465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.5
57.03451	6.7
57.07083	15.1
65.03965	1.4
67.05179	2.4
67.05513	31.5
69.07077	12.3
69.20036	3.4
69.20451	9.4
70.06602	9.8
71.08637	7.3
71.08981	1.3
73.02927	2.1
79.05493	6.7
81.07060	20.7
83.08627	6.5
85.06518	2.0
85.10186	4.1
88.07642	13.0
89.06040	11.6
91.05489	4.2
93.07052	9.1
95.08617	84.6
97.06531	4.2
97.10180	3.2
102.09187	12.1
105.07030	3.6
107.08591	2.8
109.10184	8.9
111.08106	1.4
119.08630	2.7
121.10165	2.2
123.08089	2.3
123.11736	2.8
133.08614	6.0
133.10129	1.9
133.27461	1.4
137.13306	1.4
141.09105	6.0
159.10176	7.3
163.14955	1.4
177.11258	2.6
198.01622	1.4
205.01460	1.2
210.64766	1.3
211.62410	1.4
213.60184	1.3
215.12807	51.5
228.23302	1.6
256.26373	41.5
263.23746	3.7
274.27356	3.5
283.17596	1.7
283.26334	45.2
311.29523	3.4
327.20181	7.6
337.27402	47.1
477.35791	37.1
512.50415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88655	1.2
53.03947	1.8
55.01867	6.6
55.05508	8.0
57.03441	1.8
61.02647	1.9
61.02932	24.2
61.07754	1.3
67.05517	8.2
69.03434	4.7
69.07056	3.0
70.06587	4.0
70.10632	2.9
70.11024	3.8
71.04986	4.1
73.02914	3.2
79.05495	14.0
81.03407	4.2
81.06652	1.9
81.07067	21.8
83.01341	3.2
83.04982	3.9
83.08618	2.5
84.04509	2.7
85.02906	3.8
86.09704	2.9
91.03957	12.7
91.05486	20.2
93.07049	15.0
95.01311	1.9
95.04989	7.5
95.05502	1.4
95.08614	5.9
97.02881	1.5
97.06511	2.2
105.07043	17.4
107.04981	7.8
107.08612	8.5
109.02872	3.6
109.06516	7.0
111.04430	4.8
111.08088	76.4
115.05494	1.3
117.07008	2.3
119.03376	2.0
119.04942	1.4
119.08589	23.2
120.08076	2.0
121.06492	2.6
121.10140	4.7
123.04419	4.2
123.08062	9.0
125.09646	4.9
127.07621	1.8
129.01979	1.3
129.07010	2.2
131.08577	4.1
133.06496	3.9
133.10135	6.1
135.04414	1.4
135.08054	2.8
137.06000	8.9
137.09525	1.5
139.07556	8.1
143.08551	2.3
147.04385	3.3
147.08057	4.0
149.09631	8.2
151.07576	4.5
153.05428	2.2
155.07025	4.3
161.13284	14.6
165.09126	7.2
167.07034	6.8
167.10637	2.6
169.08575	2.9
173.05998	2.8
175.07565	1.7
177.09125	5.3
191.14348	3.0
193.08632	2.9
195.10161	21.9
211.09653	43.4
213.07632	3.4
213.11143	1.8
215.10638	1.5
219.13824	4.6
229.10736	15.1
239.06638	2.4
239.09151	84.6
257.10208	100.0
275.16434	2.8
323.09091	1.6
337.16455	12.6
373.94620	1.3
481.13205	2.3
495.18573	1.8
513.15576	2.0
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
50.76424	1.7
53.03940	4.2
55.01865	2.7
55.05514	24.6
57.03436	28.2
57.07072	10.4
65.03928	4.4
67.05506	100.0
69.03424	11.1
69.07070	37.8
71.01357	21.9
71.04993	3.6
71.08624	5.1
71.52573	3.4
72.08554	1.5
73.02921	22.0
73.41538	1.6
75.04491	2.7
79.05080	2.2
79.05497	27.9
81.07057	98.5
83.01341	3.6
83.04986	4.2
83.08616	23.0
85.02907	49.3
85.06564	2.8
85.10186	2.2
86.09690	2.6
91.04958	3.1
91.05480	26.0
92.18358	1.7
93.07040	29.6
95.01343	9.7
95.04977	5.8
95.08608	79.2
97.02898	19.8
97.06524	6.8
97.10176	14.1
99.00825	6.2
99.04465	4.1
99.08066	3.4
101.02392	7.8
103.03947	7.8
105.07046	16.0
107.08586	22.0
109.06614	2.0
109.10158	41.6
111.08119	3.8
111.11712	4.6
113.02365	24.9
117.05459	2.6
117.07025	2.3
119.08585	16.0
121.10155	18.2
123.00788	2.8
123.11705	17.2
125.02339	2.9
125.09641	3.8
129.05431	1.9
131.03410	8.9
131.08556	4.0
133.10132	14.3
135.11694	14.5
137.09636	3.5
137.13251	7.7
141.01830	25.0
145.04964	3.4
145.10187	2.6
147.11674	10.6
149.13271	9.7
151.14819	5.1
153.12692	2.1
157.10159	2.1
159.02864	6.8
159.06551	3.6
161.13252	10.3
163.14833	10.2
165.16393	2.4
167.14467	2.0
169.04955	5.7
170.31357	1.7
175.14854	8.0
177.16373	2.9
179.14267	3.2
179.17900	2.5
184.07300	4.3
187.05983	2.8
189.16438	3.8
197.04456	3.4
203.17990	2.7
215.05563	10.0
219.21123	2.0
233.06535	1.8
245.22655	19.2
256.26370	2.4
257.26709	2.5
263.21100	3.4
263.23691	37.5
283.26431	4.6
287.23578	2.2
305.24716	7.1
337.27399	55.8
365.26620	3.7
367.61545	1.8
375.25436	2.1
379.28442	5.1
459.26837	3.6
467.30261	2.6
477.28479	3.6
495.29382	6.1
512.50104	3.2
513.30524	34.3
513.50531	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03938	3.4
55.01871	2.6
55.05512	9.2
55.17716	1.5
57.03438	4.3
59.16817	1.4
59.45700	1.4
61.02933	13.2
65.03947	2.2
67.05512	24.7
69.03428	3.9
69.07076	9.3
69.69350	8.9
71.05024	2.3
73.02926	3.9
75.04491	2.0
79.05073	2.1
79.05503	30.9
80.55194	1.3
81.03414	3.6
81.07063	29.1
83.04998	1.8
83.08617	4.4
85.02901	10.6
85.06540	4.2
89.27739	1.4
91.03966	4.8
91.05492	25.4
93.07049	41.6
95.04975	3.9
95.08617	20.4
97.02882	7.3
97.06532	3.4
97.10165	2.4
98.20809	3.0
98.92695	1.6
99.08089	1.8
105.07041	30.2
107.08609	26.0
109.06516	2.2
109.10157	9.2
110.93575	1.6
117.07020	7.1
119.07802	2.7
119.08598	30.6
121.10159	20.8
123.08041	2.0
123.11716	3.6
127.03962	2.5
128.06268	2.1
129.05487	1.7
129.07011	6.2
131.08594	10.1
133.10158	17.6
135.11722	19.9
143.08582	6.1
145.10149	13.4
147.11697	25.6
149.09685	2.0
149.13313	13.8
153.01825	2.7
157.10139	5.0
159.11699	11.8
161.13271	20.3
163.11227	1.7
163.14822	5.4
169.10324	1.6
171.11696	8.3
173.13260	7.6
175.11302	2.3
175.14857	10.8
177.12732	2.6
183.11708	1.9
185.13297	7.4
187.14868	2.1
189.12872	2.6
196.01122	1.6
197.13235	2.0
199.14836	4.7
203.14355	2.0
213.16356	2.3
217.19698	2.2
231.17488	2.5
231.21045	4.8
241.19530	21.7
257.19168	2.1
259.20587	41.1
275.20383	2.1
277.21674	6.8
287.38000	1.7
314.22672	1.6
333.24210	7.0
349.23804	3.0
351.25327	100.0
352.25803	2.0
375.25034	3.1
391.11810	1.6
417.13489	4.4
417.26410	2.2
433.12772	5.7
441.26321	6.4
459.27182	3.4
477.28638	3.2
495.29239	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	513.3065
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03936	3.6
54.15191	1.7
55.01868	4.1
55.05516	10.9
57.03423	6.3
57.07076	2.7
61.02937	12.0
65.03941	3.1
67.05511	24.3
69.03428	4.3
69.03852	1.3
69.07079	11.9
70.06106	6.1
71.04979	5.0
73.02908	4.3
76.02225	1.8
79.05502	29.1
81.03403	5.3
81.06585	2.4
81.07063	29.7
83.04964	2.9
83.08615	5.6
85.02911	10.8
85.06522	2.3
91.03957	7.3
91.05495	28.7
93.07050	46.6
95.04971	4.1
95.08607	22.7
95.57230	1.7
97.02896	9.1
97.06503	2.5
99.08102	2.1
101.02385	1.9
105.07045	31.3
107.08604	31.4
109.06519	1.7
109.10167	12.5
111.04424	2.3
111.08031	2.3
117.07037	10.0
119.08596	28.9
121.10157	20.4
123.08032	1.8
123.11730	3.6
125.09676	1.7
127.03915	3.2
128.06226	2.3
129.07018	6.7
131.08577	13.4
133.10144	27.1
135.08072	2.2
135.11696	19.8
137.09665	3.8
141.70784	1.7
143.08533	6.2
145.04941	2.2
145.06473	2.8
145.10170	14.0
147.08040	2.7
147.11702	21.5
149.09618	2.9
149.13254	15.2
151.11240	1.7
157.10159	6.2
159.11702	15.0
161.13300	18.7
163.11194	2.4
163.14783	3.2
165.12749	2.4
171.11707	8.0
173.13264	8.2
175.11211	3.8
175.14841	9.1
177.12752	3.2
180.25046	1.5
183.11705	2.8
185.13258	4.0
187.14833	2.3
197.04250	1.9
199.14783	4.4
213.16374	2.8
217.19595	2.6
231.21048	5.0
241.19543	17.2
259.20590	44.6
267.15741	1.9
271.20502	2.1
277.21643	5.3
301.21573	2.6
307.09799	2.9
333.24310	8.7
349.14377	3.0
349.23785	2.7
351.25348	100.0
363.25162	2.6
367.22708	2.5
403.24417	2.2
441.26355	5.3
446.66910	1.7
451.36661	1.9
459.27240	4.3
477.28287	3.7
495.29419	7.2
513.29486	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.92758	1.4
55.01872	2.4
55.05511	5.4
57.03440	3.8
57.13562	1.8
61.02924	2.9
65.49561	1.5
67.05505	12.8
69.03434	2.8
69.07062	3.8
69.62804	7.9
70.06592	3.4
71.04987	3.6
79.05489	9.7
81.03421	86.6
81.07054	10.8
83.04981	3.7
83.08152	2.4
83.08620	25.9
85.02909	3.2
86.09690	2.2
91.05501	10.9
93.07046	7.1
95.04972	29.8
95.08605	11.8
97.02910	2.5
97.10181	1.9
98.20752	2.1
105.07056	9.8
107.04958	5.3
107.08570	2.9
108.04454	1.8
109.10144	2.3
111.08070	10.4
119.08584	9.4
121.06501	3.3
121.10150	3.6
124.07623	2.7
126.12777	9.9
129.07011	6.2
131.08563	6.7
133.10117	4.6
140.06998	2.2
142.07813	2.3
142.12245	8.9
147.04399	2.6
147.07971	1.5
147.11693	7.2
149.09654	5.6
157.10127	10.8
164.10728	7.9
165.12775	1.7
168.06587	6.1
168.17538	2.9
175.11197	14.0
192.10229	12.2
193.12245	79.5
211.13287	6.8
224.21240	1.8
235.13364	3.3
259.01010	1.7
263.10300	3.5
267.15930	51.6
285.16983	100.0
291.09616	2.3
309.16983	12.7
313.11813	3.9
323.12424	11.1
363.17868	3.1
373.13983	7.5
375.11728	2.1
375.18338	2.6
393.19131	2.1
411.20120	2.2
429.21106	5.9
482.19482	2.9
514.22101	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	515.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05508	1.1
57.03444	3.3
58.18558	0.5
59.05005	0.9
67.05496	1.0
69.03423	1.9
69.07056	0.8
69.18799	1.5
69.19232	3.7
70.06589	1.4
71.05000	21.8
72.08147	0.8
74.12729	0.4
75.04482	0.9
79.05494	1.6
81.07072	0.8
83.04974	1.8
83.08627	0.5
85.02917	22.4
86.09700	1.7
87.04485	0.6
91.05491	17.4
93.07044	1.9
95.04957	0.6
95.08613	1.1
97.02900	0.6
100.11257	0.7
105.07034	2.7
107.08604	2.5
109.06541	3.4
111.04427	1.0
115.05469	0.8
116.06250	3.1
117.07024	2.6
119.08593	19.2
121.06499	1.0
121.10168	1.0
123.08063	3.9
128.06212	0.7
129.05525	4.5
129.06995	3.8
131.08586	47.3
133.06519	1.1
133.10167	1.0
135.08067	31.2
136.07574	1.6
143.08578	2.5
145.10210	2.3
147.08066	39.1
147.11696	2.0
149.09644	2.1
150.10422	3.6
151.07544	5.7
155.08607	0.7
156.09372	5.0
159.08061	0.9
159.11710	1.0
161.09612	1.7
162.10399	0.5
163.11217	1.5
171.11717	17.5
173.13281	1.7
176.11974	0.8
189.12769	100.0
191.14331	31.9
197.04266	0.6
207.13853	2.8
267.52383	0.5
472.35901	0.7
544.25098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01869	2.5
55.05511	20.8
55.40134	1.2
57.03426	9.5
57.07070	4.3
61.02914	5.9
65.03934	3.2
67.05508	96.4
69.03419	5.8
69.07069	19.1
71.04996	2.3
71.08630	1.4
73.02905	4.0
75.04450	2.1
79.05493	53.1
81.03423	5.7
81.07058	100.0
83.04981	3.2
83.08624	9.2
85.02901	7.0
85.06538	3.6
91.03965	2.1
91.05482	34.1
91.68461	1.4
93.07045	67.4
95.04949	4.1
95.08611	79.2
97.02856	4.0
97.06547	4.2
97.10154	4.3
99.04363	1.5
99.08071	4.3
105.04517	2.0
105.07030	26.7
107.08596	45.5
109.02876	1.3
109.06515	5.8
109.10159	40.5
111.08088	3.4
113.09635	2.0
117.07011	13.4
119.08588	22.5
121.10148	40.6
123.08028	3.1
123.11710	20.9
125.09657	3.0
127.03878	2.3
128.06215	1.7
129.07027	4.0
131.08563	23.8
133.10150	19.5
135.08049	2.0
135.11688	31.0
137.09618	3.6
137.13254	7.4
139.11206	2.9
143.08601	2.5
145.10124	20.6
147.08075	1.7
147.11682	15.5
149.09631	2.4
149.13274	23.7
151.11183	2.5
151.14851	3.2
157.10124	2.4
159.11702	20.0
161.13293	14.5
163.11235	1.9
163.14825	14.8
165.12794	2.7
171.11678	1.8
173.13284	18.1
175.07481	1.7
175.11168	1.7
175.14818	4.9
177.16391	5.3
179.14360	3.0
185.13203	1.6
187.14809	13.0
201.16353	4.7
205.15768	3.1
215.17963	1.7
219.17366	2.1
223.93492	1.4
233.22635	3.4
243.21086	30.2
259.20691	1.4
261.22141	89.7
279.23001	3.9
285.22165	1.7
301.21832	1.7
303.23233	3.1
317.24835	3.1
327.22910	1.6
335.25769	28.9
335.29443	1.1
345.24310	3.0
353.26868	23.3
359.26086	1.6
362.14291	1.5
369.24234	3.0
419.27975	2.9
443.27844	1.6
479.30048	4.0
497.31161	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.7
53.59788	1.8
55.01876	2.1
55.05512	17.4
55.60093	1.8
57.03448	9.0
57.03689	1.9
57.07074	6.1
57.97151	1.7
61.02922	2.7
65.03942	4.2
65.05815	1.9
67.05509	87.0
69.03422	6.3
69.07077	20.1
70.29987	6.1
71.01363	1.9
71.04993	5.1
71.08627	2.0
79.05070	4.0
79.05502	55.5
81.03424	4.6
81.07066	100.0
82.91935	1.7
83.04985	4.4
83.08627	11.8
85.02915	6.8
85.06548	3.0
90.74448	2.0
91.05487	36.1
93.07053	77.0
95.04974	8.0
95.08617	71.8
97.02887	4.3
97.06521	5.1
97.10192	5.2
99.08089	5.3
103.03922	2.0
105.04541	2.8
105.07047	28.8
107.04965	3.4
107.08603	44.4
109.06551	4.5
109.10177	34.5
111.08078	2.8
117.07024	15.7
119.08591	24.8
121.06508	2.2
121.10159	41.8
123.08077	4.3
123.11711	16.2
127.03944	3.5
129.07030	4.4
131.08586	28.6
133.10130	19.9
135.08032	2.2
135.11705	31.5
137.09668	3.3
137.13266	8.3
143.08607	4.6
145.10133	20.8
147.11717	14.1
149.13266	21.2
151.11232	2.2
151.14838	2.4
157.10147	2.6
159.11723	16.6
161.09590	2.7
161.13263	15.8
163.14853	16.4
165.12781	4.0
169.10112	2.3
173.06310	1.8
173.13268	20.6
175.11223	2.0
175.14856	7.3
177.12798	3.1
177.16391	3.8
179.14267	3.7
184.07361	1.9
185.13292	3.1
187.14815	10.2
191.14235	2.5
201.16364	3.2
219.17584	1.8
219.24641	1.9
233.22733	3.0
243.21074	30.5
261.22177	95.8
277.21863	2.2
279.23233	3.8
303.23083	4.0
327.23215	2.8
335.25928	12.3
345.24197	3.0
353.26898	22.3
369.24170	7.1
377.26822	3.1
387.25250	3.8
405.26324	6.1
410.55588	2.7
419.27850	3.6
423.27289	2.5
431.20184	2.0
479.29697	2.7
497.30917	6.8
515.36017	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00797	2.8
51.41069	3.1
53.03948	7.5
55.05530	22.8
57.03440	9.1
61.02930	6.2
67.05183	5.1
67.05515	84.7
69.03422	13.6
69.07059	13.4
71.05003	5.0
74.88188	3.7
79.05500	46.4
81.03414	13.1
81.07068	100.0
81.15524	3.5
83.04984	3.4
83.08620	12.2
85.02910	9.6
91.05490	36.3
93.07047	65.4
95.05001	7.3
95.08618	72.1
97.02888	8.4
97.06510	6.2
97.10204	5.9
105.04613	4.0
105.07057	30.8
107.04976	4.1
107.08613	44.1
109.06504	8.8
109.10188	33.7
111.08104	4.2
115.05421	4.5
115.74436	3.9
116.21632	3.2
117.07018	11.5
119.08590	23.9
121.06435	4.5
121.10160	28.7
123.08038	5.9
123.11701	17.4
127.03986	3.7
128.02209	3.6
129.07053	5.3
131.08597	28.5
133.10193	19.9
135.11711	19.9
137.13240	8.7
143.08566	6.5
145.10139	18.9
145.20288	3.6
147.07997	6.5
147.11725	19.9
149.13252	19.4
151.07515	5.6
151.11247	5.5
157.10162	7.5
159.11740	17.9
161.13280	13.7
163.11223	3.1
163.14864	11.6
163.97508	3.5
171.11621	4.5
173.09622	4.3
173.13298	17.7
175.14871	5.7
181.10393	4.0
185.13228	3.7
187.14886	10.4
195.13661	4.2
210.27731	3.4
220.53571	3.2
243.21062	19.6
244.43661	4.1
261.22147	51.0
279.23206	4.6
285.22107	5.1
303.23242	7.3
303.64154	3.6
327.23178	5.8
335.25888	18.7
345.24359	9.0
353.26865	23.3
369.24164	8.8
377.26608	5.0
387.25314	4.1
405.26462	4.4
419.28018	9.3
443.27267	4.8
461.29272	6.3
497.30939	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	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01873	5.1
55.05511	17.6
57.03440	9.6
58.64249	3.1
61.02936	7.2
67.05519	87.6
68.59361	4.6
69.03436	16.1
69.07085	22.1
71.04999	6.5
73.02908	3.5
78.20026	3.9
79.05510	57.7
81.03426	15.1
81.07068	100.0
83.04981	7.6
83.08629	12.2
85.02931	10.6
91.05500	53.3
93.07057	80.2
95.04977	12.5
95.08625	72.3
97.02917	11.4
97.06543	9.1
97.10200	8.1
98.21548	6.0
99.08118	4.9
103.05466	4.7
103.56665	3.6
105.07053	40.5
107.04956	6.0
107.08623	45.1
109.02895	5.0
109.06551	9.4
109.10175	38.3
117.07043	16.9
119.08599	25.7
121.10163	41.3
123.08109	9.2
123.11727	17.1
125.09645	5.2
129.07022	9.4
131.08595	32.4
133.06628	4.9
133.10147	24.0
135.08073	5.4
135.11726	28.6
137.09656	4.9
137.13284	5.2
139.11234	4.7
143.08598	9.0
145.06456	4.3
145.10156	30.1
147.08043	8.2
147.11743	21.5
149.09644	4.2
149.13303	29.3
151.14809	4.1
157.10143	6.0
159.11731	23.7
161.13277	15.4
162.11702	4.4
163.14882	12.5
167.08772	4.4
169.10083	4.7
171.11708	8.5
173.13333	24.7
175.11194	7.2
175.14882	9.1
179.14365	5.1
180.02429	4.1
183.11739	4.9
185.13239	6.0
187.14859	9.4
199.14891	5.6
201.16380	4.2
205.15892	5.1
243.21103	26.1
252.61484	4.9
261.22162	65.7
273.22049	6.1
279.23395	7.2
285.22064	5.2
289.54562	3.8
301.21887	4.4
303.23288	7.9
327.22913	4.7
335.25812	12.7
345.24100	10.9
353.26782	24.2
369.24377	12.2
387.25302	9.5
405.20447	3.7
405.26328	10.4
419.27893	5.4
443.27841	6.3
449.28995	4.9
461.28891	13.5
479.30038	7.7
497.31161	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	515.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01867	2.5
55.05521	12.6
57.03429	4.8
57.07059	1.3
65.03944	2.7
67.05508	40.3
68.99213	1.1
69.07070	10.2
71.04994	3.3
71.52089	1.5
71.52527	1.3
77.03941	1.4
79.05497	39.6
81.03423	2.5
81.07063	30.9
83.04988	8.1
83.05437	1.4
83.08626	5.5
85.06525	2.6
91.05483	24.4
93.07052	45.7
93.07643	2.6
93.62582	1.1
95.04977	4.1
95.08617	19.8
97.06529	5.3
97.10183	5.5
99.08092	2.0
105.07036	15.6
107.08601	27.0
109.06528	1.5
109.10182	10.2
111.08121	3.1
117.07001	7.6
119.08596	11.0
119.09444	1.5
121.10155	13.9
125.09656	1.6
129.07028	2.1
131.08578	8.8
133.10130	7.4
135.11703	31.8
137.09636	2.7
143.08575	5.2
145.10124	11.9
147.11708	6.5
149.13303	3.6
153.12761	4.8
155.08560	1.5
157.10162	3.5
159.11717	7.2
161.13164	2.8
163.11235	3.8
173.13257	4.2
175.14873	1.9
181.12230	6.3
183.88527	1.2
185.13345	2.3
187.14865	2.2
199.14880	2.1
237.56616	1.4
246.60101	1.5
261.22263	5.0
405.31671	2.1
409.63855	1.4
423.32712	5.8
441.33752	2.1
497.36270	3.9
513.09137	1.5
515.37366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06834	0.6
51.55944	0.6
53.03938	1.2
55.01863	1.3
55.45742	0.5
57.03421	1.6
61.02917	2.5
68.04707	0.7
69.03137	0.6
69.03438	6.0
71.16887	1.4
73.02920	1.0
79.05481	1.5
81.03417	1.7
81.07063	4.7
83.01344	0.8
84.04500	0.6
85.02912	12.1
86.09701	1.0
87.04482	0.6
91.03951	1.0
95.08662	0.6
97.02904	5.0
109.02864	2.2
123.04421	2.1
127.03965	2.9
139.03903	1.1
145.04910	1.6
146.08174	1.6
147.04483	0.6
151.03899	2.8
155.03375	1.2
163.03929	4.0
167.03438	0.8
169.04945	6.4
177.05460	1.6
179.03426	8.3
181.04950	8.6
185.04602	0.8
187.03844	0.9
195.06525	1.4
197.04469	40.6
205.04968	2.6
205.08617	1.0
209.04520	1.8
209.08138	1.1
219.10176	0.8
223.06078	4.9
223.09610	1.5
229.08641	0.7
247.09685	2.7
265.10727	100.0
305.76382	0.6
425.55630	0.7
427.16013	3.1
429.76965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03427	1.8
61.02920	2.7
64.02645	0.5
67.01871	0.7
67.05479	0.5
69.03432	5.4
70.69659	1.1
70.70039	0.8
71.04965	0.6
73.02908	1.1
76.94226	0.5
79.05494	0.9
81.03411	3.3
81.07061	5.4
83.01350	1.2
84.08147	0.5
85.02911	13.0
88.30224	0.5
91.03943	0.9
93.40944	0.5
95.04984	0.6
97.02884	4.2
99.04469	0.5
109.02858	1.8
111.75919	0.5
119.04855	0.5
119.89767	0.5
123.04446	1.4
127.03954	2.3
131.04901	0.5
135.08022	0.5
137.72490	0.5
139.03856	0.7
145.04941	2.1
148.07542	0.7
149.02319	0.6
149.06029	0.6
151.02687	0.4
151.03876	2.5
155.03447	0.9
159.11938	0.5
163.03935	3.0
169.04968	6.6
177.05531	1.3
179.03401	8.2
181.04977	8.7
183.02895	0.8
187.03984	1.3
187.07535	0.8
195.06509	1.0
197.04460	44.2
201.08856	0.4
205.04948	3.1
205.08615	0.9
209.04433	2.0
209.08109	1.2
219.10117	1.1
223.06032	5.6
223.09599	0.9
229.08621	0.9
247.09686	2.4
265.10721	100.0
266.11032	0.6
343.96448	0.5
427.16113	3.1
439.20178	0.5
499.20050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01868	0.5
55.05521	0.4
57.03439	0.3
59.05005	0.6
63.12897	0.3
65.03930	0.4
67.05513	0.8
68.99805	0.7
69.03436	0.4
69.69530	1.1
70.06604	0.3
79.05500	1.4
81.03426	0.6
81.07072	5.4
84.04516	3.1
85.02917	0.4
86.09715	2.1
87.10024	0.4
89.06026	0.4
91.05504	1.3
93.07069	0.7
95.04981	1.0
95.08619	1.1
101.07129	0.3
103.07564	0.4
105.03410	0.4
105.07040	0.5
107.04967	0.7
107.08648	0.3
109.02890	1.9
109.06544	0.5
109.10184	1.4
116.07042	0.3
119.04945	3.4
121.06518	0.8
123.04441	17.9
123.08096	0.9
125.02402	1.1
127.03896	0.5
130.05019	4.3
131.08586	0.5
133.10172	0.4
135.04414	1.1
135.08078	0.5
137.06001	0.4
139.03909	1.7
144.06564	0.4
145.10210	0.6
147.04430	12.8
147.07649	5.6
149.05995	2.1
149.09647	0.9
151.03918	82.0
153.05484	0.3
155.08574	0.5
159.04536	0.3
161.05969	0.9
163.03958	2.7
163.07552	0.5
165.05493	8.4
173.09631	0.5
176.04825	0.3
177.05499	4.5
177.09163	1.0
181.04922	0.8
183.07997	0.4
189.05542	0.3
191.06996	0.3
191.10696	0.7
191.14354	0.4
195.10184	0.5
201.09132	1.4
203.10715	0.5
207.06508	0.7
207.10071	0.5
219.10184	100.0
220.10425	0.5
231.10234	0.7
239.13893	0.4
249.11241	0.7
285.07645	0.4
303.08585	4.6
335.12772	0.3
353.13791	0.7
371.14926	18.6
403.83737	0.3
501.33801	0.3
517.17554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26822	0.6
53.03936	1.6
54.56162	0.6
55.05513	10.4
55.31258	0.6
57.03444	3.8
57.07063	2.4
65.03949	0.7
67.05508	24.0
69.03422	0.8
69.07072	10.7
69.33166	4.1
71.04987	1.8
79.05493	15.9
81.07057	26.1
83.04974	1.4
83.08630	5.5
85.06538	2.3
88.48170	0.7
91.05482	15.6
93.07049	23.7
93.07644	1.3
95.04958	1.0
95.08607	23.8
97.06540	1.7
97.10166	3.7
105.07037	17.8
107.08599	15.6
109.10160	9.8
111.08091	1.8
117.07008	5.1
119.08582	19.3
121.10155	10.4
123.08067	0.9
123.11697	2.6
125.09606	0.9
127.07538	1.0
129.06987	3.5
131.08577	11.7
133.10135	18.5
134.10486	2.2
135.08125	0.6
135.11684	9.2
141.06981	1.0
143.08597	4.8
145.10127	12.8
147.11690	9.6
149.09639	1.8
149.13281	5.2
155.08545	2.0
157.10149	5.0
159.11716	10.3
160.15282	0.6
161.13248	5.1
163.14876	2.0
169.10156	2.0
171.10307	0.9
171.11639	3.7
173.13240	7.6
175.14803	4.1
177.16423	1.1
183.11723	2.8
185.13284	3.9
187.14853	3.2
189.09229	0.7
189.11136	0.8
189.16417	1.5
195.11705	0.8
197.13306	2.1
199.14851	3.2
201.16411	2.2
203.17966	0.9
211.14799	1.2
213.14671	0.8
213.16501	1.2
219.17421	1.0
225.16557	1.0
227.18018	1.2
241.18005	2.0
241.88739	0.6
249.18690	0.9
253.19620	0.7
259.20630	2.5
263.20248	0.7
273.22110	1.6
275.20117	1.0
279.19507	0.8
285.22424	0.9
287.23749	1.2
299.23679	0.9
301.25232	1.3
305.24887	0.9
313.25320	1.6
315.23221	1.0
327.26990	0.9
331.26285	1.0
333.24203	1.6
345.27545	0.7
351.26541	0.7
375.28857	0.7
389.26984	0.7
391.28656	1.1
405.29883	1.3
407.28113	1.2
407.33185	3.4
419.31995	1.0
425.34158	9.8
443.35452	4.4
461.36539	1.2
481.36664	1.1
499.30539	0.8
499.37857	16.4
517.38922	100.0
518.39197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	1.3
55.01861	1.0
55.05270	0.8
55.05514	9.4
57.03439	3.2
57.07072	1.1
63.60968	0.5
65.03944	0.8
67.05508	20.6
69.07066	10.3
71.04997	1.4
71.12965	1.2
77.03883	0.5
77.84752	0.5
79.05497	15.6
81.07060	24.9
83.04973	1.0
83.08625	5.8
85.06534	1.2
87.04427	0.7
91.05483	13.1
93.07047	19.8
95.04982	0.9
95.08608	21.9
97.06512	2.4
97.10173	2.4
99.08080	0.9
100.03394	0.5
105.07036	18.0
107.08599	13.4
109.06514	0.8
109.10158	8.8
109.10844	0.8
111.08100	1.5
117.07023	4.9
119.08583	16.8
121.06485	0.6
121.10146	10.5
123.08118	0.8
123.11703	3.2
125.09628	1.0
129.07034	2.9
131.08578	11.6
133.10144	12.7
135.08022	1.2
135.11693	7.7
137.09569	0.8
137.13324	0.8
141.07053	0.6
143.08578	4.1
145.09056	0.9
145.10139	11.6
147.11694	9.4
149.13283	5.3
150.02238	0.5
151.11189	0.5
155.08557	1.9
157.10167	4.0
159.11708	9.2
161.13261	5.3
163.11194	1.0
163.14816	2.3
165.12776	0.5
169.10123	2.5
171.11684	4.6
173.13295	6.2
175.14850	3.0
177.12704	0.8
177.16423	1.0
183.11668	2.3
185.11850	0.8
185.13298	3.8
187.14819	3.8
189.16463	1.3
191.14314	0.9
197.13263	1.8
199.14815	2.9
201.16403	2.2
203.17935	0.5
209.13231	1.0
211.14861	1.7
213.16458	2.0
215.17975	1.1
217.15932	0.7
219.17468	1.2
223.31644	0.5
225.16446	0.7
227.18054	1.2
233.19080	0.9
239.18248	0.7
241.17992	2.3
245.18916	0.5
257.18973	0.5
259.20663	2.6
271.20770	0.6
273.22336	1.0
279.48254	0.5
281.21698	0.4
285.22287	1.0
286.42059	0.6
287.23730	1.6
289.21951	0.6
293.21445	0.5
299.23727	1.7
301.25351	1.1
303.23141	0.5
313.25342	1.4
315.23181	1.0
317.24817	0.8
325.25259	0.6
327.26831	1.4
331.26010	0.7
333.24268	1.3
389.31253	0.7
391.28833	0.5
405.30295	1.7
407.28299	1.0
407.33182	3.1
419.31873	1.2
425.34167	10.2
425.39456	1.0
433.29703	1.2
443.35239	5.0
447.30853	0.8
459.34711	0.6
461.31558	0.5
481.36801	0.9
499.37869	15.0
517.38916	100.0
518.39343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03943	2.0
53.58364	0.9
55.01868	1.3
55.05514	10.3
57.03430	3.6
57.07066	1.6
59.08537	0.8
65.03936	1.6
67.05183	1.5
67.05511	24.4
69.07073	11.6
69.23438	8.0
70.47179	0.9
71.04999	2.3
79.05064	1.6
79.05498	18.0
79.05924	1.8
81.06589	1.6
81.07063	29.5
83.04990	1.6
83.08617	7.5
85.06550	2.1
91.05492	16.1
93.07052	25.0
95.04975	1.7
95.08613	25.9
95.58598	0.9
97.06538	2.4
97.10184	3.9
103.08138	0.9
105.07035	21.4
105.07699	1.6
107.08598	16.7
109.06544	0.9
109.10158	11.2
111.08096	1.7
117.07021	6.6
119.08587	18.2
121.10147	12.2
121.10935	1.2
123.08076	2.0
123.11701	4.6
129.07013	2.8
131.08575	13.5
133.10132	14.9
135.08067	1.0
135.11691	7.0
141.07021	1.0
143.08611	4.6
143.09567	0.9
145.10121	13.7
147.11710	9.2
149.09624	1.2
149.13268	5.7
155.08528	1.4
157.10124	4.8
159.11707	11.4
161.13271	5.1
163.11244	1.0
163.14883	2.9
169.10133	1.3
171.11725	5.0
173.13277	8.2
175.14857	3.2
181.10123	1.2
183.11768	2.2
185.13289	3.9
187.14767	4.3
189.16447	2.8
197.13397	1.6
199.14880	2.5
201.16226	2.1
205.15768	0.9
206.02608	0.8
211.14890	1.3
213.16423	2.6
225.16409	1.2
227.18193	1.3
233.18930	0.8
241.17902	2.2
243.21173	0.9
245.19003	1.0
259.20648	4.2
277.21722	1.1
285.22107	1.4
287.23825	1.8
299.23801	1.7
331.26352	1.1
333.24039	1.5
362.10965	1.1
407.33109	3.4
419.31696	1.2
425.34167	10.6
426.15469	1.0
429.90619	0.9
443.35251	5.9
499.37857	16.6
517.38953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03947	1.3
55.01858	1.5
55.05521	10.0
55.09652	1.2
57.02341	1.7
57.03425	4.3
57.07058	2.1
67.05511	23.9
69.07076	12.7
69.22595	4.0
69.23007	8.2
71.04969	1.4
71.08642	1.7
73.42857	1.4
79.05501	17.4
81.07063	27.9
83.08640	6.8
85.06568	1.5
91.05479	15.9
93.07051	21.9
95.04989	3.2
95.08603	24.9
97.06534	2.4
97.10194	3.3
105.07040	18.8
107.08616	16.6
109.10149	9.4
115.90955	1.4
117.07023	5.9
119.08595	17.6
121.10149	12.6
123.11717	3.2
125.09653	1.5
129.07039	4.1
131.08586	13.5
133.10130	14.2
135.11687	7.1
141.06964	1.5
143.08592	6.1
145.10141	15.4
147.11691	6.7
149.13271	5.1
155.08524	1.5
157.10173	6.0
159.11739	10.9
161.13293	5.5
163.14804	1.8
171.11700	5.4
173.13239	8.5
175.14859	3.3
183.11728	1.8
185.13309	3.6
187.14871	4.6
189.16438	2.3
199.14893	2.3
201.16484	2.5
211.14902	2.1
213.16505	3.0
235.16920	1.8
241.17943	2.0
259.20615	3.1
273.22275	1.6
275.20132	1.6
277.21918	1.5
287.23608	1.8
299.23846	2.0
333.24307	2.5
337.57852	1.5
400.08307	1.7
405.30042	1.7
407.28220	2.1
407.33148	2.5
425.34305	10.8
442.33353	1.5
443.35291	3.7
483.35675	1.4
499.37921	16.1
517.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29174	0.7
53.03949	0.8
55.01878	0.9
55.33217	0.6
57.03439	0.7
61.49424	0.6
67.05527	0.6
68.99773	0.9
69.11891	0.6
69.20958	4.8
69.21376	1.8
69.83387	0.7
70.06557	0.7
79.05486	0.9
81.03432	1.0
81.07063	6.5
81.08374	0.6
82.08659	0.6
84.04508	1.0
86.09705	1.0
91.05487	1.4
93.07034	0.9
95.04968	1.2
95.08612	0.7
109.02879	2.5
109.10126	1.4
119.04955	3.6
121.06491	0.8
123.04435	20.6
123.08035	0.9
124.04763	1.4
135.04404	1.9
138.50188	0.8
139.03893	2.1
147.04419	11.5
148.04686	0.8
149.05992	2.6
151.03909	85.8
152.04242	3.7
153.05457	1.0
156.59718	0.7
161.06078	0.8
163.03894	2.6
165.05481	9.2
166.05795	1.0
168.07355	0.7
177.05478	5.0
177.09088	0.9
181.04953	0.8
191.10698	0.7
201.09116	1.9
207.10127	0.8
211.13327	2.1
219.10168	100.0
220.10504	8.6
249.11348	1.0
265.10593	0.9
303.08701	5.4
304.08850	1.0
353.13800	1.7
371.14920	19.0
372.15292	4.1
445.42499	0.8
461.79980	0.7
493.04770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.07506	0.8
56.83871	0.7
57.03447	0.9
68.99807	1.0
70.06573	0.9
70.93385	1.0
70.93724	1.7
75.19039	0.7
78.45473	0.7
79.05501	1.6
81.03420	0.9
81.07057	6.0
86.09687	1.1
91.05506	2.1
93.07041	0.9
95.04984	1.6
95.08622	2.0
109.02901	1.7
109.10168	1.3
119.04948	3.9
123.04440	22.3
123.08087	1.1
135.04465	1.3
139.03894	2.4
147.04425	16.4
149.05966	2.2
149.09523	1.2
151.03914	83.4
152.04236	3.2
161.06003	0.8
163.03944	1.9
165.05501	9.4
176.63855	0.9
177.05499	3.7
177.09135	1.4
179.04996	0.7
181.05011	1.3
185.55699	0.9
193.12161	1.0
201.09082	1.9
211.13321	2.1
212.59940	0.9
219.10176	100.0
220.10519	7.3
303.08810	3.8
304.09198	0.8
353.13892	1.6
371.14941	22.6
372.15289	2.9
418.49896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01879	1.4
55.65682	0.7
57.03440	1.4
61.02919	2.9
63.36646	0.7
67.05519	0.9
69.03447	6.3
69.88660	1.4
69.89070	3.2
70.06597	1.3
71.04995	1.3
73.02899	1.0
76.02257	0.9
77.87745	0.7
79.05493	1.6
81.03413	3.4
81.07055	1.0
83.01363	1.6
84.08154	0.8
85.02438	1.3
85.02919	17.1
85.06471	0.9
87.04463	0.8
87.71036	0.8
91.03961	1.5
91.05519	0.9
92.58125	0.8
93.07010	1.0
95.04980	1.1
97.02895	7.4
99.04453	1.5
101.11951	0.8
105.03389	0.9
109.02890	1.3
123.04409	3.7
127.03918	3.3
133.02841	1.0
135.04443	1.3
145.04936	3.2
147.04437	4.1
151.03926	7.1
163.03926	3.7
164.04294	1.8
169.04985	15.1
177.05531	1.0
179.03432	18.6
197.04483	100.0
226.51447	0.9
267.12317	78.2
307.11670	0.8
315.64697	0.8
429.17557	7.7
518.19208	1.0
518.29529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.1
55.98299	0.1
56.05045	0.5
57.03445	0.1
58.06307	0.1
58.06627	0.5
59.07402	0.2
60.08168	6.3
65.53066	0.1
67.05514	0.6
69.07068	0.1
69.34620	0.3
69.35040	0.3
71.07377	2.9
74.89965	0.1
76.87779	0.1
79.05497	0.3
81.07055	0.4
86.09711	30.6
91.05474	0.2
93.07047	0.3
95.08605	0.2
98.20674	0.1
98.98473	2.8
104.10752	2.9
109.10146	0.1
112.17097	0.1
125.00011	21.1
131.96527	0.1
184.07352	100.0
185.07614	0.1
228.55560	0.1
247.11945	0.1
258.11127	0.2
335.25983	0.1
500.31290	1.0
518.32501	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	518.3245
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05504	0.8
56.05031	1.2
57.03426	0.4
58.06362	0.3
58.06617	1.0
59.07375	0.2
59.33037	0.2
60.08168	16.2
64.44098	0.2
65.03944	0.2
67.05508	3.0
67.45850	0.3
69.07069	0.6
70.13746	1.0
70.91721	0.2
71.07379	6.6
78.67332	0.2
79.05499	2.0
81.07062	2.1
86.09711	52.1
88.94357	0.2
91.05486	0.8
93.07057	1.9
93.40153	0.3
95.08634	1.4
98.98473	4.3
104.10750	100.0
105.07052	0.9
107.08593	0.8
109.10144	0.6
119.08594	0.5
121.10155	0.5
125.00013	30.7
126.00375	0.2
131.08565	0.2
133.10068	0.3
135.11687	0.4
147.11687	0.4
163.01584	0.5
184.07349	97.5
185.07629	0.3
229.19435	0.3
258.11063	1.2
331.94717	0.3
335.25949	0.8
365.85129	0.3
500.31406	9.1
518.32471	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	519.1502
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
53.03934	1.6
55.01860	1.6
55.05511	0.4
57.03434	0.9
57.55198	0.4
61.02909	1.3
67.05506	0.6
68.99781	0.5
69.03432	3.5
69.07075	0.7
69.93867	0.3
70.46554	0.9
70.46916	0.7
71.04998	0.5
73.02901	1.3
81.03423	4.5
81.07020	0.7
83.04929	0.4
85.02909	8.9
87.00834	4.1
91.12899	0.3
93.07036	0.4
97.02907	4.8
98.09677	0.4
98.20830	0.5
99.04449	1.7
105.01866	2.0
105.07048	0.5
109.02891	3.5
117.01810	1.2
121.10165	0.6
127.03926	5.5
129.01779	0.5
137.05977	1.1
145.04984	2.2
147.04381	0.8
147.11685	0.4
150.08797	0.4
159.02852	2.4
174.87141	0.5
182.07339	0.4
197.09627	1.0
210.06711	0.9
211.07489	0.5
214.06116	0.9
225.09109	7.0
228.07957	0.6
231.05064	0.6
238.06400	0.6
240.07793	5.0
253.08615	7.7
254.09372	0.6
256.07321	8.3
264.07968	0.4
270.08939	0.8
271.09656	100.0
283.09735	0.8
295.09668	0.6
299.06241	0.9
309.11121	0.7
313.10773	1.7
323.12460	0.5
337.10532	0.9
350.53561	0.4
379.11633	1.2
418.43521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	1.0
57.03426	1.6
61.02918	2.7
68.11048	0.5
69.03442	6.9
70.06600	2.5
71.04980	1.1
72.08156	0.8
73.02930	1.6
73.04744	0.7
76.02232	0.7
81.03421	2.8
81.91514	0.6
84.04512	9.1
84.08150	0.8
85.02918	20.3
86.09222	0.8
86.09713	8.1
87.04478	1.4
88.03994	0.9
91.03952	0.8
91.05479	1.6
97.02901	7.1
99.04465	0.9
100.82468	0.5
101.07157	1.1
102.05559	1.4
109.02877	2.0
109.06517	0.5
113.90031	0.5
119.04948	1.7
120.08115	0.7
127.03932	3.9
129.10149	0.5
130.05017	8.6
137.05998	1.3
144.06635	0.9
145.04971	3.7
147.04442	7.9
147.07661	13.9
162.07645	1.7
165.05513	2.5
165.25877	0.5
169.04988	1.2
175.03973	2.4
177.05460	1.0
182.06456	0.7
183.06543	1.4
193.04971	15.5
196.13359	0.6
211.06039	100.0
212.06447	0.5
217.08237	1.4
227.06485	0.5
229.22255	0.9
245.07753	3.8
255.08080	0.7
275.15982	1.5
286.14337	0.6
299.06241	1.3
325.21671	0.6
344.97510	0.6
345.75629	0.6
358.10669	1.6
358.15677	0.7
373.06485	1.2
373.11328	23.0
519.20490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59464	0.3
53.03941	0.7
55.01854	0.8
57.03427	1.1
61.02927	2.4
67.01865	0.6
69.03430	6.1
69.84676	1.2
70.06582	0.8
71.04984	1.0
72.08149	0.6
73.02905	1.1
73.04736	0.3
75.54523	0.2
76.02219	0.6
76.03975	0.3
76.95550	0.3
81.03428	2.4
81.07046	0.3
81.91696	0.3
84.04504	5.8
85.02905	17.0
86.09711	0.7
87.04472	1.3
91.03957	1.2
91.05486	1.0
97.02896	5.9
99.04451	1.2
101.07136	0.6
109.02887	1.7
114.46896	0.3
119.04966	1.4
119.08575	0.3
120.08118	0.4
127.03916	3.7
130.04053	0.4
130.05003	7.7
136.07503	0.3
137.05977	0.9
145.04976	3.7
147.04422	5.6
147.07645	10.0
149.04456	0.3
151.03938	0.4
157.83124	0.2
163.03865	0.4
165.05478	1.8
167.05591	0.3
169.04932	1.0
175.03912	3.0
177.05367	0.3
179.04773	0.3
183.06534	1.4
193.04970	13.9
211.06017	100.0
232.13297	0.3
265.10608	0.3
299.06104	0.4
372.16376	0.3
373.11319	24.2
490.89026	0.3
519.18011	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	519.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57855	0.8
57.03420	1.0
61.02933	3.5
65.16191	0.7
67.05487	1.0
69.03432	9.5
69.07079	1.0
69.76126	3.6
71.04988	1.6
73.02897	1.3
79.05495	0.9
81.03440	3.7
85.02907	23.1
85.70471	0.7
87.04485	1.3
91.03967	1.3
91.05471	3.8
93.07037	2.3
95.08640	1.4
97.02888	7.1
98.20816	0.9
99.04476	1.8
105.07039	3.7
107.08609	2.4
109.02879	1.4
109.10094	1.0
117.07029	1.4
119.04932	2.0
119.08593	7.8
121.10150	1.6
123.04447	1.5
127.03944	4.5
131.08549	3.1
133.10147	9.4
135.11699	1.9
137.02444	0.8
137.05986	1.3
143.08557	1.0
145.04958	2.9
145.10130	1.7
147.04460	4.3
147.11699	57.3
151.03903	3.1
155.03372	1.3
158.10916	1.4
159.11685	1.3
161.13274	2.8
165.01833	1.1
165.05490	1.0
169.05016	4.4
173.13264	9.4
175.03944	1.7
177.05534	0.8
179.03427	5.2
181.04912	0.9
183.02896	3.7
185.04469	3.4
191.14258	0.9
193.04967	9.2
197.04465	18.2
210.11833	0.9
211.06018	61.3
217.04921	2.5
221.04417	1.9
223.05959	1.7
235.06009	6.7
237.07518	1.6
241.08679	1.9
245.08170	1.1
249.07672	1.7
255.10147	1.4
257.83640	0.7
263.09189	2.5
265.08621	1.5
269.08112	1.0
275.09009	0.8
283.09720	4.2
287.09229	1.7
289.10706	1.8
301.10748	10.5
302.11530	1.1
315.12173	3.2
327.11990	0.9
339.15750	1.0
357.16968	100.0
358.17093	0.9
362.24030	0.9
373.11215	4.0
432.48117	0.9
511.99585	0.9
519.22473	6.8
536.85065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	0.8
55.03178	0.4
57.03424	1.1
59.04987	0.4
61.02924	2.7
63.79041	0.3
69.03434	6.0
69.68731	2.0
70.03764	0.5
70.06581	1.6
71.04993	0.9
73.02919	0.9
81.03419	3.2
84.04504	1.4
85.02909	18.5
86.03233	0.4
87.04456	0.9
87.84462	0.4
90.89746	0.3
91.03939	1.0
91.05461	1.2
97.02895	6.7
99.04456	1.5
107.99199	0.4
109.02882	1.7
116.07079	1.4
119.04944	1.5
124.07478	0.4
127.03909	3.8
127.24827	0.3
130.05000	1.2
137.05940	0.6
145.04971	4.1
147.04419	5.4
147.07649	2.0
148.04837	0.8
148.05994	0.4
148.07996	0.8
151.03809	0.4
165.05504	1.8
169.04929	0.7
175.02480	0.5
175.03920	3.5
176.04224	0.5
183.06552	1.0
193.04967	14.6
194.05307	1.7
211.06017	100.0
212.06361	11.4
224.99321	0.4
278.73547	0.3
373.11298	20.5
374.11703	5.1
520.18457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
54.85897	0.2
55.01871	0.7
55.05511	0.4
57.03450	1.1
58.99583	0.2
60.08170	0.5
61.02687	0.2
61.02930	1.9
67.01867	0.6
67.05505	0.4
69.03433	5.6
69.03814	0.3
69.07066	0.4
70.06590	0.8
71.04978	0.8
71.53068	0.4
72.08137	0.3
73.02907	0.7
76.02185	0.2
78.47284	0.2
79.05505	0.4
81.03421	1.9
81.07039	1.2
83.01344	0.4
84.04513	0.4
84.08123	0.4
85.02914	13.1
85.06530	0.2
86.09703	2.2
87.04462	0.7
91.03936	0.8
91.05484	1.2
93.07047	0.8
95.04987	0.2
95.08595	0.4
97.02302	0.3
97.02902	5.0
99.04439	0.9
99.05612	0.3
104.10765	0.3
105.07021	0.9
107.08621	0.6
109.02906	2.1
109.06515	0.8
109.10105	0.2
113.02405	0.3
114.05490	0.2
116.70728	0.3
117.07036	0.2
119.04962	1.6
119.08603	0.3
121.10142	0.5
122.02745	0.3
123.04430	0.4
125.00004	1.1
127.03071	0.4
127.03922	2.9
129.10202	0.3
130.05017	0.3
133.10144	0.3
137.05966	0.9
145.02765	0.2
145.04979	2.5
145.06059	0.5
145.10146	0.6
147.04425	5.4
151.03915	0.8
155.03365	0.2
162.02139	0.2
163.03896	0.6
165.05487	2.1
167.07022	0.4
169.01384	0.4
169.04994	2.2
175.03929	2.8
177.05542	0.5
179.03433	0.7
179.04808	0.3
181.04988	1.1
183.06570	1.1
184.05788	0.4
184.07350	5.6
185.04449	0.3
193.04980	16.0
197.02820	0.3
197.04494	3.3
201.16388	0.6
211.06027	100.0
212.06291	0.4
223.05988	0.4
237.07648	0.5
247.09724	0.3
263.09332	0.3
265.10733	10.7
283.11856	1.3
287.05487	0.5
373.11319	21.7
427.16113	1.9
445.17166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23640	0.5
55.01863	1.7
55.05499	2.1
56.05042	3.6
57.03429	0.9
57.98792	0.6
58.99589	11.5
61.01139	0.7
65.03935	0.7
67.05511	10.0
68.05022	1.3
68.49064	0.6
69.03432	1.7
69.07063	3.1
70.02964	0.8
70.06582	1.4
70.96959	1.3
71.04990	1.0
73.01126	0.7
74.00657	1.7
76.02233	26.2
76.04002	2.1
79.05499	6.8
80.05035	1.3
81.03410	1.0
81.07066	15.1
82.06567	0.8
83.04965	0.8
83.06112	1.7
83.08642	2.0
84.04516	7.7
84.08177	0.7
85.01125	0.9
85.02900	1.2
85.06548	1.3
86.00657	5.8
86.09706	1.0
86.99063	5.5
87.02686	1.8
87.08118	1.3
88.02210	2.6
91.05489	7.3
93.07040	9.6
94.06581	1.6
95.04958	1.1
95.08606	4.5
96.04521	0.6
96.08142	0.7
97.01131	6.6
97.06531	3.2
99.02684	1.2
99.05612	0.9
100.02198	1.0
102.05553	3.5
105.07034	2.8
107.04960	1.1
107.08624	5.7
109.10141	2.0
111.02680	5.1
111.08067	1.2
113.04228	0.7
114.03740	1.8
114.05542	0.9
116.01687	21.6
117.07012	1.9
119.08598	1.6
120.08109	0.6
121.10123	2.9
122.29861	0.7
123.02663	1.3
123.11723	1.2
125.04219	1.4
129.06561	3.3
130.05028	4.1
131.08586	5.1
133.10152	4.5
135.04437	0.9
135.08066	1.1
135.11700	2.8
137.04204	1.6
142.03226	3.7
143.02751	1.0
144.01167	7.3
145.06079	1.9
147.04468	2.9
147.11688	1.2
149.04114	0.8
149.09689	1.2
149.13280	7.8
151.05829	1.0
151.11211	2.7
153.06589	0.7
157.10120	0.9
159.11699	4.4
162.02220	18.8
163.03920	4.6
165.07300	1.1
170.02740	1.6
173.13261	1.3
176.24814	0.7
177.12805	4.7
179.04858	18.9
183.08479	0.9
187.05301	1.5
188.03856	0.8
189.03319	2.1
191.08855	0.9
194.15436	2.3
195.13794	8.1
198.14914	1.3
206.15465	1.3
207.11967	1.2
211.06017	5.1
212.16435	4.0
213.14854	2.7
215.04854	0.7
217.10439	1.2
223.11520	0.9
224.16507	1.7
225.13083	0.9
226.12614	2.9
233.05934	2.6
235.11537	1.3
244.13583	1.5
245.05960	1.4
252.14201	7.9
253.12563	1.7
265.10760	1.1
270.14923	15.2
270.17661	1.6
288.16324	18.3
291.06430	0.9
298.14697	2.4
308.09213	2.9
312.12933	3.2
327.17459	1.0
355.16861	2.5
356.15436	1.4
373.17932	100.0
386.56561	0.6
391.18994	7.8
412.52481	0.6
427.19263	1.2
438.05341	0.6
445.20114	4.7
457.20181	0.7
485.78659	0.6
502.22177	3.4
520.23419	11.5
520.30725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05271	0.7
55.05517	7.7
57.03442	6.2
57.07079	0.7
60.04534	0.5
63.35887	0.5
65.03937	1.3
67.05511	30.3
68.05845	0.6
69.03425	0.7
69.07085	5.3
69.65392	0.5
71.04979	0.9
79.05500	14.5
81.07063	24.8
81.10116	0.6
83.04970	1.4
83.08620	3.5
84.40349	0.5
85.02911	0.7
85.06541	0.8
86.09702	1.7
88.03996	5.5
91.05477	7.1
93.07052	14.7
95.04984	1.2
95.08612	18.1
96.04507	0.6
97.02918	0.7
97.06524	1.0
97.10165	1.2
98.20698	1.0
98.98492	4.5
105.07023	4.8
106.05049	1.3
107.08614	6.8
109.06564	0.5
109.10159	7.8
111.08041	0.5
117.07027	1.2
119.08570	3.3
121.10144	4.9
123.08086	0.6
123.11685	1.8
124.99988	1.4
131.08549	1.7
133.10158	2.7
135.11681	2.8
140.66318	0.5
145.10132	1.8
147.11737	0.6
149.13263	1.0
155.01056	0.7
159.11736	0.9
161.13272	1.6
173.02083	0.9
173.13251	0.8
184.07362	6.9
185.07721	1.8
186.07780	2.0
230.30154	0.7
260.05423	0.8
261.22174	1.2
285.73389	0.5
291.19641	0.7
292.19836	1.2
335.25821	100.0
336.26086	0.6
348.25684	1.1
349.17044	0.5
393.00745	0.6
520.33258	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.05038	0.5
57.03438	0.2
58.06630	0.4
59.07401	0.2
60.08166	6.2
67.05509	0.6
69.07079	0.3
70.06599	0.1
70.28976	0.1
70.57484	0.2
70.67178	0.1
71.07376	2.9
76.02193	0.1
79.05486	0.2
80.97417	0.1
81.07053	0.6
83.08633	0.1
86.09708	31.2
91.05493	0.2
93.07043	0.2
95.08612	0.3
98.98469	2.9
104.10743	2.9
105.07019	0.1
107.08590	0.1
109.10153	0.1
119.06326	0.1
121.10194	0.1
124.68091	0.1
125.00008	20.9
144.20592	0.1
166.02737	0.1
166.06212	0.1
184.07343	100.0
185.07610	0.2
194.28963	0.1
241.86725	0.1
258.11099	0.2
337.27597	0.2
348.80374	0.1
448.18542	0.1
502.32883	1.1
520.34033	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.11538	0.3
55.05502	1.1
56.05035	1.3
57.03434	0.5
57.54667	0.2
58.06602	1.2
60.08167	17.3
67.05505	3.5
67.79202	0.2
69.07065	1.3
70.70237	0.6
71.07376	7.4
74.73808	0.2
79.05485	0.8
81.07066	2.7
83.08606	0.4
85.63326	0.2
86.09709	53.2
91.05493	0.5
93.07042	1.1
95.08607	2.4
97.10159	0.2
98.98470	4.5
104.10748	99.1
105.07014	0.4
106.90195	0.3
107.08590	0.5
109.10148	0.6
121.10193	0.2
125.00010	30.6
133.10112	0.3
163.01587	0.6
181.02596	0.4
184.07346	100.0
185.07780	0.4
209.97806	0.3
211.52121	0.3
258.11011	1.3
337.27307	1.1
423.94736	0.3
443.25662	0.4
502.25851	0.3
502.33026	7.7
520.33997	34.3
521.34186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
53.95339	1.5
55.01880	27.5
57.03433	2.8
58.84303	1.8
59.71817	1.7
61.02929	9.6
69.03444	9.9
71.48669	2.0
71.49046	1.6
73.02922	2.1
77.45103	1.7
81.03429	9.5
83.01350	3.4
85.02912	36.1
91.03918	2.0
97.02902	10.9
109.02857	4.0
121.02861	5.8
123.04472	2.8
127.03906	5.6
133.02898	2.5
137.02322	3.1
145.04953	4.9
146.50566	1.8
147.04454	2.0
149.02364	6.8
151.03923	6.4
153.01793	2.2
161.02293	2.8
163.03793	2.6
165.01880	5.8
167.03384	10.5
169.04964	5.7
170.69502	1.8
173.02197	1.7
177.01891	2.1
179.03404	13.8
183.02805	3.6
185.04478	3.1
189.01872	5.7
191.03455	2.6
193.01335	9.1
195.02864	9.4
197.04471	15.6
205.01324	2.8
207.02902	17.5
209.00755	1.8
209.04445	4.5
211.02374	30.5
211.04263	2.8
217.01443	2.4
221.00870	5.1
221.04494	3.1
223.02429	11.9
223.06004	3.9
225.03938	23.5
233.00839	4.6
233.04541	6.6
235.02364	24.6
237.03883	4.7
243.10826	1.9
247.02339	2.4
249.00279	2.3
249.03958	6.2
251.01892	11.7
251.05482	5.4
253.03465	23.9
259.02267	2.3
263.02023	8.1
265.03366	2.2
269.03018	14.6
277.03436	7.5
279.04974	2.6
281.02921	22.3
287.01706	3.8
295.04517	19.2
305.03018	12.5
313.05521	27.2
323.04010	65.3
341.05066	100.0
342.94077	1.9
359.06073	56.9
421.42368	2.0
433.93561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
53.70277	0.3
55.01843	0.6
55.05516	10.5
57.03442	6.6
57.07056	1.4
58.06589	0.6
60.04525	0.7
60.07891	0.3
60.08170	5.5
61.08483	0.9
61.84428	0.4
65.03928	0.6
67.05511	23.2
69.07075	13.3
69.46606	0.5
70.02945	0.5
71.04994	0.5
71.07388	2.1
71.08633	0.6
71.17274	0.6
72.07698	0.8
77.03912	0.4
79.05080	0.5
79.05499	7.2
81.07061	24.8
82.07372	0.4
83.04973	0.7
83.08623	7.1
85.06542	0.6
85.10166	0.3
86.09711	15.2
87.10041	5.1
88.03584	0.4
88.04003	4.6
91.05484	3.7
93.07046	6.1
94.64073	0.3
95.04975	0.4
95.08611	16.8
97.06511	1.4
97.10181	2.9
98.98472	4.9
99.08096	0.6
104.10751	29.1
105.07036	3.1
105.10400	0.7
105.11078	9.3
106.05016	1.1
106.11205	1.5
107.08601	3.3
109.06562	0.3
109.10164	6.8
111.08065	0.9
111.11716	0.5
119.08589	2.8
121.10136	2.3
122.85865	0.4
123.11681	2.6
125.00013	8.1
126.00365	1.8
127.00419	2.0
133.10143	2.8
135.11685	1.5
137.13266	1.2
147.11676	1.3
149.13239	0.7
150.06192	0.3
151.14851	0.5
155.01042	0.4
161.13249	1.1
163.14827	0.5
173.02148	1.1
175.14769	0.5
177.16412	0.5
184.07358	24.9
185.07695	9.6
185.74823	0.3
186.07797	6.2
197.63962	0.3
199.40460	0.4
242.04349	0.6
245.22687	0.9
260.05453	0.6
263.23724	1.7
265.29630	0.4
337.27383	100.0
338.27597	1.1
350.26932	2.2
504.33603	3.8
522.34607	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05032	0.5
57.03431	0.2
57.07076	0.1
58.06631	0.4
59.07132	0.1
59.07405	0.2
60.08170	5.7
60.81631	0.1
67.05505	0.2
69.07092	0.3
70.06606	0.1
70.12804	0.3
71.07378	2.5
79.05493	0.2
80.97440	0.1
81.07063	0.3
83.08640	0.3
86.09711	29.0
93.07035	0.2
95.08610	0.2
97.06553	0.1
97.10178	0.1
98.98470	2.7
104.10750	2.7
107.08601	0.1
121.10192	0.1
125.00013	20.3
143.01091	0.1
154.94183	0.1
155.14461	0.1
184.07350	100.0
185.07651	0.2
252.89977	0.1
258.10974	0.2
339.29150	0.2
348.69650	0.1
504.34601	1.1
522.35620	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05510	1.7
56.05027	1.2
57.03437	0.5
57.07079	0.4
58.06613	1.2
60.08167	15.3
67.05496	1.0
69.07064	2.0
70.57267	0.5
70.57618	0.8
71.07386	6.1
71.08636	0.5
79.05481	0.6
81.07057	1.3
83.08625	1.4
86.09711	49.0
93.07033	0.6
95.08630	1.6
98.98479	3.8
104.10749	94.0
105.72546	0.3
107.08631	0.4
109.10180	0.5
112.39599	0.3
121.10174	0.4
125.00008	28.1
163.01575	0.9
181.02577	0.4
184.07349	100.0
258.11102	1.2
271.38272	0.4
339.29044	1.2
504.34506	9.1
522.35590	42.3
546.27594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03951	0.2
54.92419	0.2
63.02385	0.5
64.03232	0.2
65.03943	0.3
69.03430	4.5
71.03857	0.2
71.04167	0.4
81.03428	1.2
85.02909	0.5
89.03912	6.6
91.05497	0.4
97.02900	0.5
99.04440	0.3
103.05489	0.3
106.04156	0.3
108.71730	0.2
109.02855	0.5
111.04429	0.2
117.03379	20.4
121.06501	0.2
127.03921	2.2
131.04890	0.2
134.03616	1.3
135.04420	0.8
137.06003	0.2
145.02844	50.8
149.02385	0.3
149.05975	6.7
158.06041	0.2
162.03111	0.3
163.03906	0.5
166.30933	0.2
167.03358	1.0
177.05469	100.0
178.05809	0.2
185.04463	4.1
186.05499	0.9
195.06532	1.6
209.04443	0.2
214.88669	0.2
215.06783	0.2
232.87679	0.2
233.00026	0.2
233.08047	0.3
261.07718	0.4
321.09677	4.4
339.06693	0.3
339.10764	3.9
356.14435	0.2
356.88248	0.2
385.08780	0.2
430.35568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62323	0.3
63.02378	0.7
69.03429	2.8
69.07064	0.5
70.04220	1.4
78.04713	0.8
79.05492	0.4
81.03432	0.6
81.07053	0.9
89.03919	9.5
91.05489	0.9
93.07049	0.7
95.04963	0.4
95.08627	0.6
98.20883	0.4
103.05474	0.7
106.04189	0.7
107.08627	0.4
117.03384	26.0
123.11739	0.4
124.39665	0.3
127.03922	1.1
134.03619	2.3
135.04428	0.7
145.02849	57.3
146.03275	0.3
149.02362	0.9
149.05981	8.5
149.13258	0.3
163.03847	0.6
167.03395	2.0
177.05472	100.0
178.05727	0.4
185.04462	9.3
186.05479	1.0
321.09753	1.8
332.38309	0.4
339.10742	1.2
498.32907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01878	0.2
55.05535	0.3
56.52463	0.2
57.03449	0.3
62.01582	0.3
63.02391	0.2
67.01881	0.3
67.05516	0.7
69.03439	1.5
69.07074	0.2
69.84938	0.4
69.85347	0.8
71.05001	0.3
73.02921	0.2
79.05512	0.5
81.03430	5.0
81.07053	0.7
83.08626	0.4
85.02920	1.3
86.09758	0.3
89.03925	6.7
91.05511	1.0
93.07068	0.9
95.04977	0.3
95.08620	0.3
97.02905	0.8
98.20826	0.2
99.04459	0.6
103.05521	0.3
105.07042	0.5
106.04208	0.5
106.25438	0.2
107.08568	0.4
108.57029	0.2
109.02913	1.5
109.10163	0.3
117.03397	18.9
119.04932	0.2
119.08562	0.3
121.06519	0.4
121.10133	0.3
123.04467	0.4
127.03941	0.8
131.08540	0.2
133.10175	0.2
134.03676	1.3
135.04442	1.0
139.03911	0.4
139.13161	0.2
145.02866	47.1
146.03223	0.4
147.04442	0.4
147.40897	0.2
149.06001	6.7
151.03934	0.4
155.03406	1.1
157.25772	0.2
161.05853	0.2
162.03188	0.3
163.03934	0.8
165.05562	0.3
167.03450	0.4
169.04955	0.4
173.66718	0.2
177.05493	100.0
178.05821	0.5
179.03432	1.5
181.05019	0.5
185.04465	1.0
186.05539	1.6
187.03799	0.3
191.07158	0.3
193.04959	0.2
195.06570	0.9
197.04477	2.2
203.03456	1.3
203.07002	0.2
205.05075	0.2
213.05562	0.3
219.06406	0.2
221.04445	2.7
223.06070	0.6
301.14401	0.5
317.13895	0.4
319.15427	2.8
321.09750	5.0
325.13937	0.3
339.10870	3.7
343.15375	0.8
361.16702	1.4
377.55005	0.3
409.16339	0.3
427.17416	0.3
451.72583	0.2
487.19830	0.4
505.20721	0.4
523.22003	0.7
523.29474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20713	2.4
53.03944	4.2
55.01873	6.0
55.05512	73.1
57.03438	17.6
57.07082	10.8
59.04997	2.4
63.01920	2.0
67.05507	75.4
68.65159	2.1
69.03425	6.5
69.07066	20.9
71.08620	6.5
71.52982	3.1
79.05067	3.7
79.05497	49.6
81.03436	12.7
81.06588	4.8
81.07060	75.4
83.04962	6.8
83.08620	42.7
85.10177	5.1
86.09737	3.6
86.30683	2.0
91.05487	25.7
93.07048	47.7
95.04984	7.4
95.08610	56.2
97.06514	3.4
97.10171	83.4
105.04523	2.8
105.07039	18.9
107.08598	51.7
109.06622	2.5
109.09487	2.6
109.10173	28.6
111.08086	4.9
117.06986	10.5
119.08595	12.7
121.10146	23.2
123.11744	12.1
125.09631	68.3
131.08548	15.0
133.10106	15.7
135.08075	5.4
135.11707	12.6
137.13261	6.3
143.10713	2.9
145.10121	6.7
147.11723	12.1
149.13260	9.5
153.09084	6.4
154.94182	3.6
157.10104	3.6
159.11676	10.1
161.13271	6.6
163.14865	6.6
171.10126	8.3
172.95248	4.7
173.13287	10.1
175.14737	2.5
177.16368	3.0
179.70815	2.2
184.07330	12.5
185.07668	2.9
187.14847	4.5
189.11218	57.6
193.12257	5.6
210.97668	6.3
227.12798	64.8
229.14357	3.1
233.22827	3.0
243.21097	11.6
245.13852	100.0
261.22134	49.7
267.16016	15.7
279.23267	9.6
313.27332	11.5
317.24658	11.8
335.25797	65.4
403.49945	2.1
431.31454	5.2
487.34171	13.9
505.34665	32.0
523.23566	7.2
523.34894	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	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75610	3.7
53.03949	9.8
55.01885	4.2
55.05272	6.0
55.05515	80.1
57.03441	29.3
57.07084	36.6
58.20290	4.3
58.65268	3.7
59.04977	4.4
60.08160	5.2
67.05175	7.2
67.05510	100.0
69.03412	8.0
69.07065	27.2
71.05028	5.0
71.08636	25.4
73.88869	4.0
78.29509	4.1
79.05492	69.5
81.03420	71.5
81.07058	95.3
83.04992	8.3
83.08620	61.0
85.06551	5.0
85.10188	13.7
86.09691	15.0
91.05464	32.6
93.05771	4.3
93.07047	57.3
95.04965	16.2
95.08611	70.1
97.06554	5.8
97.10176	77.9
104.10741	19.0
105.07018	30.6
105.87598	4.5
107.08585	56.9
109.10168	32.2
111.08096	6.4
112.73469	4.0
113.17168	4.6
117.06988	9.9
118.60850	3.9
119.08607	23.0
121.10146	30.3
123.11713	17.4
124.99992	8.5
125.09634	68.6
129.07025	11.5
131.08565	18.7
133.10124	17.8
135.08025	8.0
135.11690	16.8
136.93134	4.4
137.13243	8.1
145.10135	13.5
147.08099	3.7
147.11696	7.4
149.13278	9.6
153.08974	5.4
154.94188	10.4
157.10083	5.9
159.11720	10.0
161.13278	8.6
163.14735	7.2
171.10194	7.1
172.95235	8.8
173.13280	12.0
184.07338	40.2
185.07733	10.1
187.14857	4.1
189.11215	54.3
193.12230	30.7
210.97672	8.5
227.12776	63.6
243.21053	12.9
245.13852	85.6
261.22150	64.0
267.15909	83.8
279.23209	6.8
313.27393	84.5
317.24823	16.5
335.25793	76.8
357.33127	4.0
467.20792	6.7
487.34390	12.4
505.35455	28.1
505.38550	27.9
523.23376	12.1
523.35687	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.05280	4.7
55.05519	79.2
57.03428	16.5
57.07067	6.7
59.84859	4.5
67.05181	7.2
67.05508	95.0
69.03429	5.4
69.07069	21.7
71.08603	4.8
71.52512	5.7
79.05502	62.1
81.07066	79.2
83.04990	9.5
83.08618	49.7
84.75137	4.5
91.05492	27.2
93.06561	5.4
93.07062	52.2
95.04984	4.7
95.08144	5.0
95.08623	53.1
97.10181	92.9
101.10955	4.9
105.07030	22.1
107.08611	44.4
109.10175	30.8
117.07023	9.0
119.08596	11.5
121.10133	23.8
123.11734	9.2
125.09631	80.3
131.08556	16.2
133.10129	12.9
135.08046	7.7
135.11687	19.3
145.10139	10.3
147.11707	5.0
149.02335	7.0
149.13261	13.2
153.09117	4.9
159.11671	10.7
171.10190	9.2
173.13242	9.5
177.79797	4.7
187.14909	6.5
189.11238	72.6
227.12790	76.6
243.21135	13.1
245.13869	100.0
261.22162	55.6
279.23083	6.8
317.24738	13.9
335.25748	70.3
338.27673	7.1
341.97141	5.5
487.34100	11.7
505.35345	33.6
523.36829	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01884	2.6
55.05512	14.4
57.03446	19.6
57.06833	3.0
57.07082	37.3
67.05515	23.2
69.07070	14.2
71.04970	2.4
71.08640	28.1
73.06541	4.0
79.05507	15.2
81.03425	81.8
81.06655	2.4
81.07063	26.3
83.04984	3.5
83.08626	24.7
85.02903	2.5
85.10192	15.4
86.09707	5.9
89.06058	2.4
91.05473	17.9
93.07056	10.2
95.04967	23.0
95.08616	24.8
97.06507	2.4
97.10165	6.5
101.02267	2.1
104.10751	8.3
105.07040	16.0
107.04954	7.4
107.08604	7.1
109.06509	2.9
109.10155	11.5
111.08075	6.1
113.06048	2.0
119.08585	11.8
121.06525	3.1
121.10117	6.5
123.11752	3.9
125.00002	2.1
125.09609	3.7
129.07028	6.7
131.08556	9.6
133.06470	2.9
133.10158	4.5
140.73592	2.0
142.07762	4.2
145.10146	2.6
147.08023	3.6
147.11696	6.2
149.09624	2.9
157.10120	9.3
175.11169	6.5
179.14355	3.3
184.07315	10.9
191.54367	2.2
193.12270	41.1
211.13176	5.6
229.14282	3.0
239.23746	5.8
249.14810	5.0
267.15927	100.0
281.34720	1.9
313.27399	97.3
453.07620	2.1
453.14148	2.0
505.39075	68.2
523.39600	10.7
524.37561	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.9
55.05513	18.8
57.03441	21.6
57.07082	36.8
66.55682	2.3
67.05509	38.9
69.03452	2.0
69.07081	10.9
69.41854	1.8
69.52180	2.2
71.01381	2.2
71.05006	2.9
71.08640	33.0
79.05500	19.7
81.03425	92.7
81.07065	30.2
83.04975	3.3
83.08623	29.2
84.70183	2.1
85.02940	2.2
85.10178	15.1
89.06022	2.8
89.11597	2.0
91.05492	20.5
93.07056	15.3
95.04972	25.0
95.08615	35.0
96.08891	1.9
97.02866	2.7
97.06554	3.8
97.10189	6.9
99.08118	2.3
105.07040	15.4
107.04964	6.6
107.08598	10.2
109.06533	3.9
109.09461	3.7
109.10164	25.2
111.08078	8.9
113.09678	2.1
119.08595	16.2
121.06544	3.6
121.10163	8.5
123.11639	2.7
129.07043	8.5
131.08588	8.9
131.73459	2.2
133.10161	4.9
135.11710	3.9
139.11211	2.7
142.07799	3.5
147.08057	4.6
147.11674	5.2
149.09604	3.9
157.10136	9.7
163.11104	3.5
175.11243	11.3
179.14320	8.9
193.12263	35.9
211.13293	6.8
221.15382	2.7
229.14375	15.7
229.33803	2.4
239.23694	6.8
249.14926	4.8
252.27774	2.4
267.15939	100.0
277.21649	6.3
299.95584	2.5
313.27393	88.0
351.25043	3.2
505.39410	55.0
523.39575	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01870	1.7
55.36662	0.6
57.03426	1.9
61.02924	4.2
67.01864	1.3
67.05505	1.0
69.03434	7.6
69.07056	1.0
69.80094	1.4
69.80504	1.5
70.06588	1.2
71.04984	1.6
72.08152	0.8
73.02917	1.1
79.05507	1.1
81.03418	4.9
81.07049	1.2
83.01360	2.6
84.04514	0.8
84.08138	0.8
85.02908	29.0
86.09674	0.7
87.00843	0.9
87.04467	1.3
91.03965	2.0
93.07053	0.7
95.04977	0.9
97.02898	9.7
99.04432	2.2
105.03399	0.6
105.07037	0.8
109.02882	3.5
120.08121	1.4
121.06477	1.4
123.04438	4.1
127.03927	7.8
133.02853	1.0
137.02280	0.9
138.09216	0.7
145.04967	9.6
147.04475	0.7
151.03912	6.0
163.03891	1.5
169.04959	10.6
174.43782	0.5
179.03415	16.4
197.04462	100.0
198.04733	0.6
219.10304	0.7
233.08028	0.9
234.08437	1.5
244.37912	0.5
275.09113	2.0
276.09482	3.2
303.05048	1.0
359.09753	11.9
370.10837	0.6
470.25711	0.6
506.27567	1.1
506.87625	0.5
524.20490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16729	0.4
53.03941	1.0
53.06709	0.4
54.03458	0.4
55.05498	1.3
55.20401	0.3
56.05034	1.7
57.03436	0.9
58.06589	0.5
61.02916	1.3
67.05510	1.9
68.05020	0.8
69.03438	3.8
69.07056	1.1
69.51659	2.8
70.06592	1.8
71.04993	0.4
72.08179	0.5
73.02914	1.3
79.03394	0.4
79.05493	3.2
80.05025	1.5
81.03420	1.8
81.05805	0.6
81.07050	3.0
82.06582	1.5
85.02912	4.5
86.46983	0.5
87.04458	0.9
91.03957	0.6
91.05486	1.9
93.07050	6.7
94.06586	2.3
95.04979	0.6
95.07354	0.9
95.08605	1.8
96.08133	3.2
97.02893	2.0
98.09702	4.1
99.04509	0.5
105.07014	1.2
107.08620	2.5
108.08116	1.4
109.02895	0.8
109.08907	0.5
109.10159	1.1
110.09690	9.7
119.08556	1.2
121.10127	0.9
122.09659	1.8
123.04470	0.7
123.10464	1.3
124.11228	2.6
127.03942	1.0
133.10088	0.6
135.11734	1.3
136.11191	3.8
145.10167	0.4
149.13272	0.7
150.12778	0.5
151.03908	1.1
152.14351	41.8
155.03423	1.0
161.09628	0.6
161.13277	1.2
163.03970	0.5
166.15947	0.9
169.05002	3.1
178.15933	2.8
179.03424	3.6
181.04991	2.5
193.05147	0.5
197.04463	17.4
198.04047	0.5
203.03494	0.8
203.72342	0.5
205.05008	1.0
205.08665	0.6
209.04436	0.8
211.06097	1.5
221.04417	3.2
223.06079	1.8
225.07613	1.1
235.06139	0.6
247.09721	0.6
261.11264	0.5
263.09479	0.5
265.10745	10.4
289.10602	0.6
292.11981	0.6
303.12405	1.8
303.15994	0.6
318.13315	2.1
320.18741	0.5
327.15833	0.6
332.15002	1.5
344.18811	0.5
345.16919	4.2
361.18784	1.3
362.16055	0.5
362.19644	47.3
524.24982	100.0
525.25244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67900	0.8
55.01875	2.1
55.05510	4.3
55.13285	0.8
56.05024	1.8
57.03427	2.0
57.07061	0.9
62.36728	0.7
67.05509	4.8
69.03439	1.2
69.07059	3.0
71.04965	1.3
71.52713	0.9
79.05475	3.6
81.03423	0.9
81.07062	21.4
83.04980	2.9
83.08614	2.5
85.02908	1.1
91.05482	2.4
93.07040	5.7
95.08599	6.5
96.08117	1.0
97.06506	0.9
98.09706	4.9
105.07026	3.4
107.08582	4.2
109.06524	7.5
109.10133	2.8
111.04453	17.4
111.05206	1.1
111.08138	0.8
119.08575	4.2
121.10177	4.3
122.09621	1.0
123.08067	2.0
123.11689	1.7
125.06012	5.7
131.08582	1.5
133.10132	3.9
135.08040	2.6
135.11659	3.9
137.05984	100.0
137.13229	2.0
139.07532	0.9
143.08565	1.6
145.10107	1.8
147.08000	1.6
147.11720	5.5
149.09680	4.6
149.13249	1.7
151.07521	3.0
151.11154	1.2
152.14348	6.8
157.10110	1.6
159.11647	1.2
161.09633	7.5
161.13271	2.4
163.11235	3.0
163.14862	1.0
165.09119	2.4
165.12767	0.9
167.10695	1.2
171.11711	1.0
175.11227	4.9
175.14818	2.1
177.12737	0.7
179.03336	1.1
179.10674	2.4
181.12254	1.3
182.07320	0.8
185.13251	0.9
189.12764	1.1
193.12213	1.2
197.04442	2.7
203.17957	6.2
213.16454	4.4
216.06328	1.2
217.18883	0.9
221.19048	1.8
223.14761	1.3
231.17415	9.5
236.74438	0.8
241.15903	1.7
247.71422	0.8
249.18515	7.0
254.19652	0.8
255.01332	0.7
265.10733	1.8
277.18015	45.5
295.19089	8.0
320.22232	3.5
341.46823	0.8
351.21695	58.5
362.19675	5.6
365.93192	0.8
381.68304	0.8
383.24316	61.5
431.18018	2.6
474.22946	1.2
492.23459	3.9
524.18140	0.9
524.25281	14.6
524.33392	1.3
524.42010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3716
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	1.2
56.05024	1.4
57.03442	0.9
57.07079	2.6
58.06598	0.9
60.08167	15.7
62.72663	0.4
63.81131	0.4
67.05497	1.4
69.07059	0.8
69.81733	1.6
71.07375	5.2
71.08626	2.1
79.05496	0.5
81.03422	1.6
81.07071	1.3
83.08635	0.9
85.10187	1.2
86.09711	50.7
91.05492	0.5
95.08611	1.8
98.98468	2.6
103.50363	0.4
104.10751	100.0
105.06982	0.5
109.10155	0.7
119.08553	0.6
121.16148	0.4
125.00011	30.1
163.01505	0.7
181.02797	0.5
184.07349	94.5
186.41927	0.4
193.12268	0.6
258.11151	0.9
267.15964	0.8
268.16251	1.0
302.34045	0.4
341.30334	2.1
506.35934	10.1
524.37140	46.5
525.37964	0.6
542.16547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05277	0.9
55.05516	11.9
55.52341	0.9
57.03436	12.5
57.07072	2.9
58.42207	0.8
59.04992	3.6
64.58298	0.9
65.03933	2.5
67.05507	100.0
69.07070	10.3
69.95222	3.2
71.04988	3.9
71.08625	1.6
79.05066	1.6
79.05495	19.9
79.32280	0.9
81.07056	39.5
83.04971	1.3
83.08624	9.1
85.06538	3.9
91.05480	14.0
93.07050	23.3
95.04936	1.7
95.08609	26.0
97.06506	1.6
97.10168	2.2
98.21434	1.1
105.07046	4.5
107.08588	11.5
109.06484	1.8
109.10160	79.4
111.08054	3.4
117.07022	4.2
119.08587	8.3
121.10145	10.2
123.11673	3.6
125.09602	1.3
131.08591	4.0
133.10101	3.5
135.11682	5.7
137.09612	3.4
145.10112	3.1
147.11691	3.0
149.13260	4.3
155.10625	6.2
159.11693	2.6
161.13255	3.0
163.14859	1.8
169.46318	0.9
173.11752	23.3
173.13161	1.4
227.12749	2.3
229.14362	90.2
243.21065	3.5
261.22202	12.5
317.24774	1.6
335.25809	65.3
369.42377	1.1
489.35773	32.7
529.16010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56146	0.6
58.93500	0.7
67.13197	0.6
69.36924	3.1
69.37346	1.7
72.79947	0.6
82.82866	0.6
85.02905	1.4
93.69016	0.6
94.93036	1.0
99.50246	0.6
145.04988	0.8
169.17076	0.7
182.94591	100.0
183.05037	0.9
185.03061	0.9
192.05450	0.7
196.27681	0.6
210.94077	0.8
245.05132	2.1
248.89627	2.0
262.59637	0.7
264.07657	1.2
273.08258	2.4
381.08041	8.5
425.11316	0.8
458.56982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13039	0.5
53.03930	0.9
57.03431	0.9
61.02913	1.5
67.49110	0.5
69.03432	4.5
70.06577	0.9
71.52128	0.7
72.40228	0.4
73.02897	0.6
81.03431	2.4
84.04501	0.5
84.08113	0.5
85.02909	15.6
87.04490	0.7
91.77946	0.6
97.02892	5.2
99.04427	1.1
109.02884	2.3
127.03931	4.0
135.04424	0.5
136.07614	0.9
137.02318	1.8
145.04941	3.7
147.00729	1.0
147.04408	0.7
155.03400	3.8
163.03864	0.5
165.01826	7.6
183.02904	16.6
185.04501	1.3
201.03947	100.0
263.57620	0.5
266.17978	0.5
363.09113	1.5
379.11365	0.7
424.08133	0.5
507.16721	0.7
525.16876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1612
Annotation	Barbatoflavan
Peak:m/z	Relative Intensity
53.03953	0.4
55.01878	0.5
57.03439	0.4
61.02927	1.3
65.03947	0.3
68.49058	0.2
69.03432	2.5
70.91484	0.4
71.04987	0.2
73.02921	0.4
73.30690	0.1
79.05509	0.2
81.03429	1.2
81.07076	0.4
83.01349	0.2
84.22762	0.1
85.02911	8.7
87.04478	0.4
91.03946	0.7
91.05488	0.6
93.03416	0.3
93.29675	0.1
96.02795	0.1
97.02900	2.9
99.04455	0.3
107.04945	0.4
109.02895	0.7
109.06529	0.3
110.71574	0.1
111.04458	0.2
116.31966	0.2
121.02869	1.2
122.03680	0.3
127.03939	1.6
127.96583	0.1
136.01579	0.3
137.05988	34.5
139.03915	1.3
143.03371	0.5
145.04979	2.7
147.04295	0.2
149.02357	2.6
167.03410	11.9
179.07045	8.0
184.13977	0.2
185.04466	100.0
186.04817	0.4
209.04381	0.2
219.02908	0.3
237.03946	0.9
251.05579	0.2
269.06531	0.4
331.08054	0.2
347.09769	3.6
466.19116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
53.58886	0.6
57.03435	0.9
61.02917	0.7
69.03427	9.2
69.07063	2.1
70.06572	1.0
71.22662	1.3
72.79644	0.8
79.05493	1.6
81.07053	3.9
85.02894	3.3
91.05472	1.8
93.07060	1.1
95.08598	2.2
97.02895	5.9
98.09700	3.5
99.04448	1.5
99.10070	1.2
105.07051	1.1
107.04943	1.0
107.08594	1.2
109.02869	1.0
109.10195	1.4
119.04961	3.3
121.02884	1.2
121.10162	0.8
122.03667	2.8
123.11772	0.8
124.71690	0.7
127.03918	6.1
129.05882	0.7
137.05981	100.0
139.03885	3.1
145.02802	0.7
145.04970	1.4
147.04420	3.3
148.04698	0.8
149.02333	3.6
151.07607	1.1
164.04668	1.0
167.03404	10.5
179.07039	76.7
185.04460	55.1
197.07990	1.2
209.04431	1.9
227.12679	1.3
291.26825	0.7
303.45471	0.8
309.27881	1.3
341.12173	1.9
525.30865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.7
57.03433	3.1
67.05507	9.8
67.38377	2.0
69.03426	5.6
69.07058	4.8
69.23141	17.7
71.04977	2.3
71.49609	1.8
73.02305	1.9
73.02890	2.0
79.05475	3.0
81.07061	16.4
83.08625	3.1
85.02895	9.7
88.06130	1.8
91.03364	2.1
91.05494	6.8
93.07042	8.2
95.05008	3.1
95.08630	9.4
97.02884	4.8
105.07027	6.3
107.08589	4.1
109.10157	2.9
118.58593	2.0
119.08574	7.2
121.10133	2.6
123.04407	2.6
129.07013	4.5
131.08585	4.1
133.10167	2.9
135.11746	2.6
143.08633	4.4
145.04916	2.4
145.10146	2.7
151.03970	4.5
153.07137	1.7
155.03426	2.3
155.08611	3.1
157.10155	4.3
160.70801	2.1
161.13274	1.8
163.03940	4.1
165.07025	2.1
167.03429	3.3
169.04942	6.6
169.10255	2.7
171.11714	2.7
179.03412	12.2
181.04962	21.5
181.10168	2.9
183.11705	2.9
185.04456	7.2
195.02803	2.5
195.06464	2.4
195.11639	3.3
197.04471	52.1
205.04999	5.5
205.08635	2.7
209.04523	2.0
211.06001	2.1
213.03957	6.2
221.04478	5.6
223.06071	8.2
223.09647	3.0
235.05936	2.5
247.09683	5.3
256.07303	4.2
265.10742	100.0
270.08890	15.5
275.09131	9.7
293.10126	8.0
303.12424	3.3
307.09579	2.4
345.17004	25.1
363.18036	34.2
427.16110	3.0
433.31030	5.7
444.28525	2.3
462.28906	3.3
507.34393	4.1
509.75473	2.1
525.35938	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	526.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01852	2.5
55.05503	9.5
57.03431	4.2
57.07074	6.5
59.22543	2.4
67.05512	29.1
69.03438	17.0
69.07072	34.2
69.86378	11.5
71.04979	2.4
71.08621	5.7
79.05488	25.0
81.03420	20.8
81.07056	34.8
82.11824	2.5
83.04969	3.1
83.08649	3.2
85.02914	13.8
85.06515	3.4
85.10198	3.4
87.04475	5.2
89.06032	100.0
91.05479	22.0
93.07039	30.4
95.04962	5.3
95.08605	30.7
97.02885	10.5
97.10155	2.3
99.04443	3.6
103.03893	2.2
105.07026	22.8
107.08588	17.6
109.02889	4.9
109.10155	12.8
111.08118	4.1
117.07031	11.0
119.08621	16.1
119.32487	2.1
121.06488	3.1
121.10149	16.7
123.04392	3.1
123.11752	4.6
127.03915	5.6
128.30783	2.5
129.07007	8.1
130.08630	3.5
131.08594	14.2
133.08611	62.4
133.10080	11.6
135.11678	9.5
137.06041	2.8
139.77266	2.7
143.08551	4.2
145.10161	11.8
147.11699	9.1
149.09634	4.8
149.13234	4.1
155.08563	3.0
157.10133	6.3
159.11728	7.9
161.13309	5.6
163.14745	3.5
166.48756	2.6
169.10147	4.6
171.11674	5.5
173.13245	8.6
177.09140	4.1
177.11243	19.6
177.16315	2.2
181.10117	2.5
183.08112	2.2
183.11676	3.3
185.13297	4.0
187.11246	3.0
195.10214	3.8
199.14882	2.7
221.13866	7.0
222.30420	2.3
236.62370	2.4
239.14790	6.6
243.21236	2.4
261.22119	8.3
271.20511	2.9
273.22043	3.6
277.21524	3.5
283.17578	4.0
303.23267	3.7
327.20111	68.9
327.23746	3.7
327.26422	3.3
329.28357	6.5
341.24924	4.2
351.23074	5.3
369.24240	14.1
387.25189	13.1
405.26187	13.9
423.27353	4.9
473.32864	3.4
509.40698	2.5
526.41589	2.8
526.48413	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05267	1.3
55.05513	17.1
55.22160	1.0
57.03436	9.6
57.07077	5.5
59.04992	3.4
65.03923	2.4
67.05507	100.0
69.06731	1.2
69.07075	16.9
69.07440	0.9
69.22106	6.3
69.22519	1.9
71.04989	1.9
71.08625	1.9
79.05502	10.9
81.07056	43.3
83.04993	1.7
83.08626	12.4
85.06538	2.7
87.04479	1.2
89.06039	19.2
91.05485	11.0
93.07047	11.6
93.63774	0.8
95.08611	32.0
97.06508	2.4
97.10185	4.7
98.21484	1.5
99.08090	1.1
105.07009	5.6
107.08585	6.7
109.06563	1.0
109.10162	69.7
111.08067	4.4
111.11710	1.3
119.08578	9.4
121.10146	4.1
123.11705	4.6
125.09688	1.6
133.08607	11.3
133.10112	4.2
135.11705	2.8
137.09613	3.0
137.13258	1.3
147.11653	3.6
155.10674	4.3
161.13235	2.4
163.14828	1.0
173.11734	15.8
175.14827	1.5
177.11201	3.7
192.18613	0.9
221.13991	0.8
229.14357	84.7
245.22650	1.8
263.23788	4.2
264.53162	0.9
283.17667	0.9
327.20166	10.5
337.27374	82.0
361.56296	1.1
491.37311	63.5
509.38684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
67.01871	37.1
69.03436	3.5
70.06596	0.6
71.15515	0.5
73.02927	0.6
81.03416	0.8
84.04554	0.2
85.02921	1.2
86.09699	0.4
91.05479	0.4
93.07042	0.7
95.08607	0.3
97.02893	0.4
99.04475	1.4
109.02872	1.9
111.04482	0.3
119.72005	0.2
121.10168	0.2
127.03931	6.3
137.05974	0.3
139.03938	0.6
167.03445	0.5
167.10629	0.4
181.01196	1.4
181.04948	0.4
185.04457	1.9
186.04774	0.7
199.02391	100.0
200.02812	0.3
203.08177	0.5
217.09689	0.6
227.08131	0.3
241.03412	0.4
241.09605	0.4
242.47624	0.3
245.09308	1.5
259.10934	0.4
263.10229	1.0
271.04504	1.5
273.08582	0.5
275.05481	0.5
287.10309	0.4
291.09698	0.4
305.11362	1.9
307.04562	0.3
323.12341	0.9
325.05554	11.4
333.10748	0.5
343.06573	0.6
365.13449	5.9
407.14215	0.3
416.04190	0.4
471.31061	0.3
527.18115	0.5
553.44379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01863	2.4
55.05502	0.9
57.03441	4.1
60.25581	0.6
61.02922	2.2
67.01853	1.0
67.05498	1.6
68.99773	3.5
69.03432	22.8
69.07061	0.8
70.06593	0.8
70.08522	2.2
71.01356	0.8
71.04991	2.7
72.08160	1.2
73.02930	5.5
79.05498	2.0
81.03421	24.1
81.07047	2.3
83.04973	1.5
85.02906	27.7
87.04455	1.4
91.03933	0.7
91.05486	2.0
93.03389	0.6
93.07045	2.1
95.04960	1.1
95.08581	1.4
96.39247	0.5
97.02899	13.9
99.04452	8.0
103.03941	1.6
105.07030	0.9
107.04958	1.4
107.08591	2.4
109.02886	50.4
109.10143	0.8
111.00790	1.7
111.04465	2.0
115.00307	0.9
117.06991	1.2
119.08561	1.6
121.02875	2.7
121.10155	0.9
122.09657	0.5
125.02374	4.9
127.02969	1.1
127.03919	22.8
131.08580	1.7
133.10115	0.6
135.08028	1.0
135.11710	0.9
137.05991	2.5
138.06328	1.0
139.03905	5.4
143.03415	5.5
145.04982	3.4
149.02348	6.1
149.09554	0.9
153.01834	35.5
155.08621	0.7
157.01321	2.6
163.03934	1.7
163.11255	1.1
167.03410	19.7
179.07088	0.8
180.89925	0.5
181.01300	1.4
181.12204	0.7
185.04462	100.0
186.04797	2.1
187.05077	1.4
191.03429	0.9
193.12202	0.8
199.02383	45.0
205.04942	1.4
209.04469	6.6
209.11778	1.6
221.04451	0.9
227.05490	5.4
227.12721	0.9
233.04492	3.3
241.03430	4.0
247.06084	0.8
251.05513	4.1
265.14371	1.2
271.04471	5.4
272.20120	1.4
275.05463	2.5
277.03177	1.1
283.04355	0.8
283.15601	0.6
293.06894	0.5
301.05530	2.2
307.04459	2.5
325.05539	10.3
343.06650	6.9
364.24722	1.6
365.24493	0.6
403.01004	0.7
449.06912	0.7
526.30304	0.7
527.23956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37181	0.2
53.03916	0.2
55.01870	0.3
57.03443	0.5
58.61727	0.3
61.02911	0.9
65.03940	0.9
65.50512	0.2
67.34750	0.3
69.03431	2.6
70.67383	0.7
73.02890	0.5
81.03406	1.1
82.61382	0.3
84.12228	0.2
85.02908	8.2
87.04426	0.4
89.16380	0.3
91.03940	0.7
93.03403	1.6
97.02894	2.9
99.04488	0.5
99.67193	0.3
102.29663	0.3
108.67779	0.2
109.02867	0.6
111.04446	4.1
121.02866	0.7
126.85703	0.2
127.03912	1.4
136.01534	0.4
139.03902	12.6
143.03444	0.5
145.04956	2.3
149.02344	3.2
167.01971	0.4
167.03404	12.3
181.04965	5.5
185.04457	100.0
186.04858	0.4
210.65425	0.3
211.06036	0.3
219.02907	0.6
237.03966	1.1
255.05014	0.7
347.09811	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.76565	1.1
55.05516	1.7
65.03934	1.3
65.81364	1.1
69.03429	11.7
70.06589	2.0
70.84808	2.3
71.04974	1.3
72.08151	1.1
74.09705	5.0
79.05488	7.2
81.03421	3.0
82.35178	1.2
85.02898	14.4
91.05506	1.7
93.03401	1.5
97.02898	20.1
98.21676	1.0
100.11267	5.2
102.31589	1.0
107.04966	35.4
109.02879	2.3
111.04455	6.9
116.98656	1.1
121.02873	1.7
123.04420	3.0
125.06058	1.0
127.03905	11.5
133.58459	1.3
135.04422	52.8
137.05963	1.0
139.03929	13.2
145.04977	9.0
145.06580	1.2
149.02361	5.5
151.03818	1.3
153.05476	84.2
163.03905	5.9
167.03409	19.5
173.05983	1.3
175.03911	2.2
177.05432	2.1
181.04997	15.3
185.04468	100.0
199.06071	1.5
201.05499	1.6
209.04434	4.3
209.16505	1.6
210.14862	2.9
221.04552	1.1
226.19217	1.0
229.05446	1.1
289.07089	1.3
303.05075	2.0
304.05682	1.4
307.08041	1.9
325.09174	2.3
343.10306	2.3
453.34378	13.4
454.34399	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.14
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02165	1.4
65.09970	1.2
69.03439	7.9
70.06593	2.2
71.04994	1.8
71.52523	2.1
79.05499	7.0
81.03430	2.1
81.07021	1.6
85.02909	15.6
93.86073	1.3
95.20626	1.3
97.02905	16.7
107.04955	29.4
109.02866	2.5
111.04438	6.4
121.02834	3.2
123.04420	1.6
127.03965	6.5
135.04422	42.6
139.03917	11.3
144.40320	1.3
145.04959	6.1
149.02316	5.2
153.05479	76.6
163.03929	5.0
167.03410	18.0
169.25490	1.6
181.04971	16.7
185.04466	100.0
209.04385	6.9
265.80396	1.5
307.08148	2.3
325.09177	3.3
343.10263	4.9
527.19696	1.6
527.28113	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.1
53.03941	0.4
55.01863	0.4
57.03428	0.6
59.04959	0.1
61.02929	1.3
65.03933	0.9
67.05499	0.1
69.03435	2.8
69.25047	1.1
70.06586	0.3
71.04982	0.6
72.08188	0.2
73.02919	0.4
81.03416	1.3
83.01328	0.2
85.02910	8.4
86.09736	0.1
87.04465	0.3
91.03981	0.6
91.05474	0.4
93.03416	1.3
93.07056	0.2
97.02896	3.0
99.04468	0.5
105.06988	0.1
109.02885	1.0
111.04449	4.7
119.04962	0.2
120.08096	0.1
121.02892	1.0
123.04449	0.2
125.02365	0.2
127.03934	1.7
127.70087	0.1
135.04416	0.1
136.01579	0.6
137.02341	0.3
137.05983	0.2
139.03909	12.5
143.03409	0.6
145.04973	2.4
147.04427	0.2
149.02345	3.4
155.03419	0.3
163.03929	0.4
167.03410	12.1
173.02370	0.3
181.04964	5.0
183.02917	0.5
183.11159	0.1
185.04460	100.0
186.04811	0.3
186.56358	0.1
197.04500	0.2
209.04445	0.5
211.06017	0.2
212.60329	0.1
219.02898	0.6
237.03969	1.2
255.05029	0.7
319.08032	1.0
347.09601	1.7
365.08478	0.2
403.04678	0.1
527.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.01870	3.0
55.05527	10.0
55.05745	2.3
57.03443	10.2
65.03920	1.9
67.05508	51.1
69.03423	5.5
69.07076	10.8
69.23830	5.1
69.24261	7.4
71.01363	7.1
71.04991	6.6
73.02898	1.5
79.05496	42.6
81.03422	34.3
81.07059	25.4
83.04990	12.7
83.08601	3.8
85.02899	7.2
85.06526	5.2
86.09692	2.5
87.36031	1.4
87.60808	1.5
89.37827	1.4
91.05488	18.1
93.07050	52.0
93.07639	2.7
95.04969	4.4
95.08604	6.3
97.02887	14.3
97.06538	18.1
97.10162	7.8
99.04445	3.7
99.08115	2.4
105.07013	3.9
107.04988	2.7
107.08607	30.3
109.02883	31.8
109.10193	7.0
111.04445	2.7
117.07009	6.5
119.08635	7.3
121.06535	1.5
121.10163	10.7
125.09628	2.5
127.03924	43.7
130.07788	1.8
133.10187	7.3
135.11702	100.0
137.09642	3.2
137.78461	1.3
143.03421	1.8
145.04941	3.6
145.10146	16.0
149.02299	2.7
151.11208	2.6
153.12718	2.2
156.89310	1.4
163.11169	20.0
167.03384	10.1
181.12247	98.4
184.07370	3.3
185.04463	35.9
199.13353	13.2
227.05470	2.1
242.38843	1.5
244.88019	1.4
253.14355	3.5
307.15387	5.1
325.16479	25.9
343.17633	1.7
527.37457	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	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61386	0.9
51.65203	0.7
53.03960	6.2
55.01870	3.5
55.05519	10.3
57.03437	7.1
57.07072	1.4
58.60154	0.9
60.17831	0.9
62.68138	0.9
65.03945	1.9
67.05511	51.8
69.03118	1.0
69.03436	7.9
69.07081	10.2
69.81173	0.7
71.01367	6.7
71.05005	5.3
71.53085	1.2
73.02880	0.8
79.05500	38.9
81.03429	35.0
81.07062	22.0
83.04990	12.3
83.08624	3.0
85.02908	6.1
85.06560	4.1
86.09714	1.0
91.05495	20.5
93.07053	54.0
95.04979	5.9
95.08626	5.8
97.02907	13.5
97.06541	17.1
97.10180	6.7
99.04481	5.3
99.08094	3.2
105.04514	0.9
105.07028	7.0
106.15816	0.8
107.04982	2.9
107.08604	33.5
109.02138	1.4
109.02892	28.9
109.06568	1.2
109.10164	4.8
111.04435	2.5
111.08086	1.6
117.07047	5.0
119.08618	7.2
121.06490	2.1
121.10162	9.4
124.75253	0.8
125.09631	2.5
127.03929	40.1
129.06956	1.2
130.07776	1.0
131.08580	1.5
132.53448	0.9
133.10146	7.9
135.11703	100.0
137.09610	2.7
139.03922	2.6
143.03381	1.4
145.04936	3.4
145.10149	17.6
149.02368	2.5
151.11156	2.4
153.12717	2.2
161.09657	1.0
163.04002	1.0
163.11194	19.0
167.03415	9.0
179.03471	2.0
181.12251	89.4
185.04478	36.5
199.13303	12.6
209.04405	1.6
227.05487	1.4
251.05548	1.0
253.14423	2.0
271.13080	1.0
275.05588	1.8
289.14490	1.2
293.06592	1.0
305.14032	1.7
307.15399	5.6
325.16476	21.5
331.10883	0.9
343.17804	1.9
527.28259	2.4
527.35425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01866	2.6
55.05516	16.1
57.03444	6.0
57.07055	1.0
57.34871	0.9
61.02935	14.8
64.85540	0.8
65.03921	2.4
67.05510	24.4
69.03438	6.9
69.06787	0.8
69.07084	9.2
71.01359	1.0
71.04998	2.6
71.18961	1.3
73.02940	4.6
75.70738	0.9
79.05069	1.5
79.05502	21.3
81.03426	4.3
81.07064	27.3
83.04980	2.8
83.08605	5.3
85.02917	13.0
85.06562	1.3
87.04499	1.1
91.03969	7.2
91.05490	37.8
93.07048	20.3
95.04999	4.3
95.08614	16.0
97.02891	10.9
97.06535	3.8
97.10154	4.2
99.04443	2.0
101.02377	0.9
102.79535	0.8
103.05457	1.5
105.04569	1.0
105.07042	32.0
107.04947	5.1
107.08602	12.8
109.02891	1.2
109.06542	5.2
109.10162	5.6
109.42482	0.7
111.04447	1.1
111.08087	2.6
115.05458	3.9
116.06238	3.2
117.07032	19.3
119.04948	1.3
119.07804	1.6
119.08588	18.4
121.06519	4.9
121.10159	7.4
123.08077	5.4
123.11685	0.9
125.09633	3.0
127.03938	2.3
128.06239	9.9
129.07019	16.3
129.12753	1.5
130.07796	5.4
131.08585	42.7
133.06483	5.3
133.10144	13.3
135.08047	2.6
135.11720	4.5
137.09634	2.5
139.11186	2.1
141.07007	5.5
141.09128	1.4
142.07852	2.4
143.08572	46.9
144.09370	1.1
145.04977	1.8
145.06500	1.5
145.10136	44.9
147.08049	6.0
147.11674	5.2
148.87659	0.9
149.09633	3.7
149.13237	1.8
150.47632	0.8
151.07541	2.0
153.07059	1.0
154.07826	1.9
155.08592	4.5
157.10143	13.3
159.08070	3.0
159.11708	12.0
161.09624	8.9
161.13260	1.2
163.11201	3.7
165.06938	1.6
165.12790	1.2
166.07864	1.1
167.08537	2.0
169.10124	10.6
171.08115	1.3
171.11691	10.8
173.09598	3.5
173.13245	2.4
175.11208	5.2
177.12784	3.2
179.08554	1.0
181.10117	6.8
183.11713	6.6
185.09602	1.1
185.13257	4.4
187.11226	1.2
189.12810	1.1
191.10603	1.3
195.11728	12.1
197.13316	1.8
199.11208	2.4
201.12762	2.6
209.11668	1.2
209.13361	2.2
211.14888	1.1
213.12866	1.8
213.16339	0.9
215.12749	1.3
227.18015	4.1
229.14386	1.0
231.13969	1.6
237.16418	15.2
245.19060	3.2
255.17461	17.0
257.19104	1.3
273.18500	43.0
283.15387	1.2
291.19565	2.1
329.21149	2.1
347.22189	100.0
364.14066	1.4
365.14334	3.9
365.23224	4.3
509.26999	1.2
527.28333	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01878	1.7
55.05273	0.8
55.05518	11.5
57.03436	3.2
57.07074	1.1
64.55105	0.6
65.03925	1.3
67.05510	24.8
69.03441	0.8
69.07072	8.3
71.04988	1.4
71.53321	0.7
72.69461	0.5
79.05500	19.9
81.03423	15.4
81.07063	22.4
83.04985	2.2
83.08628	7.5
85.06543	1.4
91.05486	17.7
92.20836	0.5
93.07048	21.9
95.04972	4.9
95.08614	15.1
97.06533	2.0
97.10178	6.6
105.04523	0.8
105.07040	14.0
107.04958	1.5
107.08595	10.5
109.06525	1.4
109.10171	8.2
111.08081	2.6
115.05434	0.9
116.06233	0.6
117.03409	1.0
117.07025	7.1
118.12634	0.5
119.08588	12.8
121.06475	1.3
121.10151	7.9
123.08081	1.2
123.11697	1.7
125.09661	5.1
128.06219	1.9
129.07028	6.9
131.08582	12.0
133.06419	0.9
133.10150	7.8
135.08060	0.8
135.11673	4.7
137.09625	1.4
141.06987	1.5
142.07805	2.5
143.08577	7.4
144.09445	0.6
145.02850	2.4
145.10132	9.6
147.08040	0.8
147.11685	5.5
149.09694	0.8
149.13252	3.3
151.11314	0.8
155.08609	4.2
156.09305	1.0
157.10126	8.1
159.11711	8.6
161.09579	1.0
161.13293	2.6
163.14766	0.8
165.12733	0.7
167.08603	1.3
168.09346	0.9
169.10126	5.5
171.11690	7.4
173.11852	1.2
173.13290	4.3
175.11205	1.8
175.14789	1.5
177.05501	7.6
181.10123	2.1
183.11742	5.3
185.13277	5.2
187.14851	1.9
189.11232	2.1
193.10490	1.1
193.12254	7.5
195.11755	1.6
197.13266	4.2
198.97446	4.4
199.14857	2.5
201.16360	1.0
205.10080	0.6
207.11703	1.0
209.13281	1.9
211.14838	2.2
213.16388	1.4
221.13222	1.3
223.14844	2.4
225.16367	0.8
235.14856	1.0
243.21210	1.1
249.14783	1.3
259.20602	2.1
261.22205	1.8
263.18011	0.7
283.20840	0.6
287.19806	0.7
297.22345	1.2
299.23511	0.7
301.25305	1.7
309.22119	0.8
311.23685	0.7
315.23334	1.3
317.24869	1.0
323.23633	0.9
329.24625	0.7
338.27634	1.0
417.31516	2.5
435.32663	8.4
453.33612	6.3
471.34860	4.5
475.78851	0.7
509.36389	4.6
527.23914	3.6
527.37354	100.0
528.37756	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01867	2.9
57.03442	0.9
61.02924	1.0
69.03432	3.2
69.66922	3.3
70.06587	2.3
71.04998	2.8
72.08140	1.0
73.02910	2.7
81.03421	18.3
85.02913	4.3
86.09721	1.7
91.05496	0.8
93.40965	0.5
97.02897	34.3
98.20763	0.6
99.04460	19.2
103.03929	0.9
107.04975	1.2
109.02885	100.0
114.00730	0.6
126.24139	0.5
127.03923	27.5
135.04439	1.4
138.12918	0.6
145.04959	19.4
153.05487	2.0
154.05777	1.1
160.49141	0.5
163.03978	0.6
169.04991	2.4
185.04526	2.0
185.79337	0.5
186.04811	1.7
187.06003	4.1
205.07088	47.7
224.24319	0.5
229.07072	5.3
263.09369	0.6
289.09271	2.9
323.12659	0.8
325.08865	0.6
366.11560	0.7
528.20544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01877	2.8
55.17638	0.4
57.03437	1.7
61.02930	0.7
67.01875	2.8
68.02209	1.0
69.03443	2.9
69.07070	1.6
69.72466	1.4
69.72884	0.7
70.06599	0.9
71.05013	2.6
72.08171	0.4
72.24780	0.4
73.02937	2.3
81.03429	16.9
81.07034	0.5
83.01380	0.4
85.02916	3.5
86.09221	0.8
86.09718	10.8
87.04456	0.4
93.07066	0.4
94.41502	0.4
97.02905	32.5
99.04466	15.6
99.05119	0.8
109.02895	100.0
109.24921	0.4
117.05537	0.7
121.10210	0.5
121.82785	0.4
124.05068	0.4
124.61564	0.4
127.03940	17.3
139.03912	0.8
142.06155	0.8
145.04982	16.7
152.04587	1.2
164.71460	0.4
166.08783	0.4
169.04993	3.5
169.07237	0.4
176.71170	0.4
179.05737	0.5
182.12930	0.4
187.06114	1.4
199.02397	6.9
200.02765	4.7
205.07106	43.1
221.06821	0.5
223.01340	0.4
229.07014	2.1
232.11005	0.6
237.13525	0.4
238.09261	0.5
238.11824	0.5
246.12421	0.6
248.97421	0.4
249.06296	0.5
249.13599	1.6
259.36618	0.4
266.08838	1.4
266.11365	0.4
274.11893	0.5
280.90402	0.4
289.09280	2.1
289.12680	0.6
291.14642	1.3
319.14111	1.2
325.05554	0.6
326.06018	0.6
334.15073	0.7
336.16736	2.0
351.17551	1.8
362.14505	0.5
366.14142	0.8
379.17328	7.9
492.00729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05515	7.2
57.03434	5.1
57.07079	11.9
59.04997	3.2
61.02925	1.9
65.57949	1.1
67.05490	4.1
69.03433	19.9
69.07073	57.5
70.76225	1.0
71.04990	4.2
71.08299	1.1
71.08631	8.1
73.02946	1.3
73.06552	9.7
79.05491	2.8
81.03426	3.0
83.08627	3.7
85.02911	17.1
85.10183	4.1
87.04470	10.1
89.06037	31.7
91.05499	1.9
93.07052	3.0
97.02898	14.0
99.04474	1.5
107.08559	1.9
108.07418	1.4
109.10158	1.8
111.08072	1.9
111.11728	81.2
115.03934	13.5
119.08589	1.7
127.03882	1.8
128.96297	1.5
129.12766	100.0
133.04976	12.2
145.05031	1.1
159.11746	1.3
159.30453	1.1
170.15431	2.1
185.04396	1.2
199.16934	25.0
200.28297	1.1
217.17998	41.0
528.20526	1.8
528.28369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.7
57.03437	5.2
57.07079	13.6
59.04996	3.8
59.34856	0.8
59.71564	0.8
61.02935	1.1
67.05505	3.4
69.03083	1.8
69.03434	19.3
69.07071	54.3
69.48707	0.8
69.49058	6.4
71.04993	5.4
71.08630	10.2
73.02927	1.1
73.06554	11.3
75.04469	0.8
79.05493	1.7
81.01008	1.0
81.03425	2.4
81.07049	2.2
83.08624	2.9
85.02911	15.0
85.10204	5.9
87.04481	11.1
89.06037	28.4
91.05488	2.0
93.07055	1.6
97.02901	17.1
98.20752	1.4
99.11742	1.5
105.07039	1.3
108.08947	0.8
109.02847	1.1
109.10161	1.0
111.11726	90.0
115.03940	16.2
116.27941	0.8
119.08556	0.9
121.10139	1.0
127.03944	2.1
129.12764	100.0
131.93394	0.8
133.04965	14.4
133.05861	1.2
145.05020	2.8
152.01241	0.8
157.10229	1.0
158.04001	1.1
176.29008	0.8
199.16960	23.9
217.17998	42.9
348.22525	1.4
470.44150	0.9
501.04401	1.0
520.36328	0.9
528.29498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.6
57.03438	17.5
57.07082	12.6
67.05507	96.6
69.07069	25.1
69.42475	16.7
69.42891	7.3
71.04991	8.3
71.08641	4.4
79.05493	5.6
81.07062	29.3
81.93306	3.6
83.08613	22.1
85.06561	3.8
91.05489	6.6
93.07053	10.3
95.08599	20.1
97.10162	13.2
98.20797	6.8
107.08576	5.9
109.10160	84.6
111.08084	4.0
119.08596	4.9
121.10155	9.2
135.11684	5.8
149.13309	5.2
149.23581	3.0
149.51933	3.3
155.10683	6.0
166.51476	3.4
173.11742	21.5
206.01790	3.5
229.14346	100.0
232.51590	3.7
232.96655	3.4
265.25595	3.5
270.98801	3.3
283.26328	10.9
339.28949	86.8
379.18948	3.6
398.92194	3.8
406.16257	3.5
493.39023	63.5
528.49640	8.3
548.17487	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	529.2288
Annotation	Dutasteride
Peak:m/z	Relative Intensity
53.03941	3.1
55.01875	2.9
55.05502	4.2
56.64835	0.9
57.03440	3.8
57.80120	1.0
60.49017	0.8
61.02932	2.0
62.87321	0.9
67.05520	17.0
67.69572	0.8
69.03441	10.2
69.07088	6.8
69.73846	3.1
69.74261	2.1
71.04998	3.0
79.05509	18.0
81.03429	18.1
81.07071	30.4
83.04987	4.6
83.08617	2.8
85.02920	10.9
85.06541	2.6
85.36644	0.8
86.09743	1.0
91.05502	20.5
93.03436	1.1
93.07071	13.6
95.04965	4.0
95.08608	8.6
97.02912	10.9
97.06535	3.4
99.04459	2.3
99.08089	2.3
103.05512	1.3
105.07051	21.4
107.04951	2.8
107.08627	8.5
109.02901	6.0
109.06526	3.1
109.10172	1.8
111.04384	2.0
111.08092	1.0
117.07047	4.9
119.04956	1.1
119.08603	11.7
121.02866	2.5
121.06503	2.7
121.10162	7.1
123.04463	2.0
123.08056	1.4
123.11710	2.7
127.03926	7.2
129.07011	3.7
131.04854	1.1
131.08591	4.7
133.06531	1.4
133.10141	4.2
135.08043	2.7
135.11705	4.0
137.05945	1.0
139.03911	5.0
143.03386	2.9
143.08569	2.6
145.04935	1.9
145.06487	1.4
145.10109	3.3
147.04453	1.3
147.08080	3.6
147.11711	16.9
149.02328	6.2
149.09679	1.4
149.13275	1.7
151.03922	1.4
155.03416	19.2
157.06544	1.1
157.10150	2.1
159.08101	2.0
159.11682	3.7
161.09587	2.1
161.13293	1.8
163.04015	1.4
163.11209	2.9
164.25763	1.0
165.12790	10.5
167.03423	18.6
169.04918	1.0
169.10257	1.7
171.08142	1.0
171.11681	2.9
173.09616	1.8
173.13292	2.4
175.07542	2.4
175.11192	2.6
177.12718	2.7
178.09776	1.0
179.03406	3.0
183.11758	1.3
185.04486	100.0
185.13219	1.9
187.11201	3.0
189.12770	4.0
195.13757	2.1
197.04482	9.1
203.14275	1.3
207.13849	1.7
209.04358	1.4
213.12811	1.9
219.13774	1.3
227.05647	1.1
227.14459	1.4
231.13745	1.1
245.15372	1.3
247.06033	1.4
249.14786	2.0
251.05479	1.7
255.13870	2.2
261.15042	1.1
273.14944	5.4
275.05637	1.6
289.14334	2.4
291.15848	5.3
293.06525	1.3
307.15396	18.5
309.16949	7.7
327.17813	1.3
331.15564	2.8
347.14819	1.3
349.16522	4.8
397.16330	2.2
415.17380	3.4
462.94913	1.0
529.27765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68412	0.4
61.46596	0.4
62.08995	0.5
70.21910	1.7
83.10801	0.4
91.05466	0.9
98.20838	0.6
104.09439	0.4
115.05456	1.4
117.05759	0.9
117.07010	1.2
118.06542	15.5
130.06519	1.2
132.08110	5.4
142.06503	1.2
143.07289	2.0
144.04379	0.6
144.08096	11.8
146.06017	59.3
159.09171	6.2
160.07582	0.6
170.06039	4.1
188.07076	100.0
205.09731	44.0
296.70395	0.5
407.05692	0.5
528.01270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27178	2.4
53.03944	3.8
55.05517	19.7
57.03420	8.4
57.07060	2.6
59.05909	2.6
67.05507	87.2
69.07069	20.0
71.01361	3.1
71.52034	2.9
73.02917	4.3
75.04470	2.6
79.05496	48.3
81.03405	3.1
81.07056	100.0
83.04964	3.2
83.08618	13.5
85.02905	12.2
91.05470	25.7
93.06498	4.4
93.07047	57.2
95.01316	7.6
95.08606	70.4
97.06522	5.0
97.10139	4.1
99.08061	3.7
105.07037	27.6
107.08598	34.6
109.09479	3.7
109.10163	43.9
113.02353	4.6
117.06998	10.0
119.08600	20.2
121.10146	32.8
123.11703	14.8
125.09633	4.2
125.35973	2.7
129.07019	5.3
131.08571	24.7
133.10118	15.4
135.11690	32.2
137.09583	2.5
137.13223	6.7
141.01793	13.3
143.08572	6.2
145.10155	17.8
147.11678	14.3
149.13307	20.3
151.14836	3.6
151.93439	2.5
159.11702	16.3
161.13266	11.1
163.11134	3.3
163.14813	11.5
171.11609	4.5
173.13229	19.8
175.14893	4.0
177.12726	3.1
177.16315	4.9
184.07317	5.5
185.13158	3.2
187.14822	10.8
195.00273	22.7
233.22559	3.5
243.21030	25.0
249.81172	2.7
256.26410	3.0
261.22144	94.0
273.98087	3.1
279.23254	5.3
323.77957	3.3
335.25824	27.4
353.26862	89.4
377.26727	2.8
383.22177	3.2
419.24240	3.9
431.27814	5.8
433.06696	2.7
444.87875	2.8
493.27808	5.1
511.28845	6.4
529.25702	3.6
529.38806	18.0
540.78900	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01874	5.3
55.05517	7.3
55.21762	1.0
57.03455	4.9
61.02915	2.2
65.03921	1.2
67.05507	17.5
69.03438	3.0
69.06741	1.0
69.07073	12.0
71.04983	1.8
73.02898	1.2
79.05499	15.0
81.03413	8.2
81.07063	24.0
81.71106	1.2
83.04975	4.5
83.08601	3.7
85.02895	2.7
85.06503	1.5
88.87105	0.9
89.76103	0.9
91.05482	23.4
91.44170	1.2
93.07052	16.5
95.01324	4.5
95.04951	4.0
95.08000	1.3
95.08611	15.2
97.02895	2.5
97.06538	11.1
97.10155	2.0
99.08103	1.0
105.07037	30.2
107.04960	9.3
107.08604	6.8
109.06554	2.0
109.10137	4.7
111.04419	1.1
111.08092	2.2
112.26386	1.0
117.07008	8.6
119.08581	15.2
121.06493	1.9
121.10132	4.5
123.08051	2.3
127.03890	1.7
129.06955	1.1
131.08577	8.0
133.10133	19.2
135.08066	2.2
135.11656	2.9
137.09581	1.8
141.07057	1.3
143.08566	1.9
145.06473	1.4
145.10118	6.1
147.11691	6.8
147.30653	1.0
149.09615	3.3
149.13228	2.9
151.11128	1.5
157.10117	1.6
159.08055	1.3
159.11754	5.2
161.13257	2.4
163.11169	2.5
165.12756	1.6
169.10153	1.8
173.13312	1.7
177.12756	2.5
179.14272	5.6
183.11699	1.8
187.11150	2.3
200.96819	1.1
202.63634	0.9
229.19478	1.2
241.14366	1.1
247.20476	1.4
257.18970	2.7
263.55487	1.1
275.20062	31.2
293.21069	3.4
342.17010	1.3
349.23752	100.0
391.25180	1.3
511.29022	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01843	0.4
53.03941	2.0
53.56820	0.5
55.01867	1.2
55.05514	10.5
57.03433	3.3
57.07079	1.3
59.04974	0.4
61.01764	0.4
65.03944	0.7
67.05510	26.0
69.07071	9.8
71.04987	1.4
71.69296	0.4
79.05501	17.3
81.03417	1.2
81.07062	27.1
83.04988	2.2
83.08629	5.8
83.15909	0.5
85.06539	1.7
91.05489	15.7
93.07050	19.0
95.04986	2.5
95.08614	17.4
97.06524	2.6
97.10199	2.2
98.20826	1.5
99.08080	0.6
103.05434	0.5
105.04515	0.5
105.07043	16.5
107.04958	0.5
107.08601	11.0
107.10359	0.4
109.06548	0.8
109.10162	6.6
111.08099	1.9
115.05447	0.8
116.00547	0.4
117.07032	10.7
119.08589	13.3
121.06554	0.5
121.10145	8.1
123.08083	1.2
123.11696	1.9
125.09756	0.6
128.06250	0.9
129.07007	5.9
130.07762	0.6
130.77856	0.4
131.08586	16.3
133.10139	11.1
135.11694	5.0
137.13184	0.5
139.11140	0.7
141.06976	1.4
142.07825	0.7
143.08557	7.3
145.10130	13.7
147.11707	6.8
149.09631	0.7
149.13293	4.8
150.94566	0.4
155.08588	3.3
156.09344	0.7
157.10143	6.5
159.11702	11.7
161.09604	0.4
161.13257	3.6
163.14861	0.7
167.08604	0.9
169.10152	3.3
171.11708	6.5
173.13268	8.2
175.14862	1.1
175.31583	0.4
177.12819	1.2
181.10121	1.5
183.11707	3.3
185.13237	4.3
187.14845	3.0
189.16603	0.5
193.12335	0.5
195.11775	1.0
195.13876	1.2
197.13260	3.1
199.14876	2.5
201.16464	0.8
203.14293	0.6
209.13287	1.8
211.14867	1.3
213.16394	1.4
223.14862	1.0
225.16335	0.9
227.16373	0.7
233.19073	0.6
237.16354	0.5
237.60049	0.4
239.17943	0.9
259.20618	0.9
271.20535	1.2
273.22223	0.8
275.20206	0.6
279.21118	0.5
285.22247	1.3
297.22165	1.3
299.23648	1.3
301.21548	0.6
311.23822	1.0
313.25183	1.2
315.23386	0.9
323.23752	0.7
325.21680	0.5
325.25323	1.1
327.26883	0.6
329.24692	0.6
335.86111	0.4
339.26984	0.9
341.24875	0.9
343.26578	0.9
359.25903	0.5
363.26553	0.5
395.29453	0.4
409.34778	0.9
419.28064	0.6
419.33194	4.0
437.34201	11.4
447.31784	0.5
455.35199	4.1
473.36285	0.8
485.36340	1.3
493.37207	2.0
511.37921	7.3
529.38928	100.0
530.39136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.2
53.21629	0.6
55.01871	1.7
55.05271	1.0
55.05520	14.8
57.03437	2.9
57.07088	1.5
57.35040	0.7
65.03962	3.3
67.05513	51.6
69.03416	0.8
69.07076	16.1
71.04999	2.6
72.34928	0.6
79.05504	40.8
81.03436	4.5
81.07067	51.6
83.04990	3.9
83.08636	9.9
85.06567	3.1
91.04906	1.0
91.05492	25.4
93.07055	52.1
95.04974	6.6
95.08619	27.8
97.06547	5.4
97.10196	2.2
99.08121	1.7
101.13249	0.7
105.04530	1.6
105.07047	15.2
107.05003	1.0
107.08606	22.3
109.06542	1.4
109.10168	7.7
111.08113	3.4
115.05497	0.8
117.07041	8.0
119.08598	11.4
119.79092	0.7
121.10155	19.3
123.08074	1.7
123.11725	2.9
125.09651	0.9
129.07034	2.6
130.07800	0.8
131.08580	12.0
133.10159	8.6
135.11710	9.1
139.11153	0.9
140.60632	0.8
143.08583	2.9
144.74103	0.6
145.10123	9.1
147.11714	4.1
149.09680	1.4
149.13278	15.7
151.11189	0.8
155.08621	1.2
157.10156	3.3
159.11700	10.7
161.13289	3.6
163.14919	0.9
169.10237	1.7
171.11771	3.1
173.13307	3.2
175.14818	2.0
177.12796	3.2
180.70430	0.7
183.11685	1.4
185.13339	2.2
187.14859	2.5
189.16441	1.0
193.12282	0.9
195.11833	0.7
195.13809	4.3
211.14818	1.0
239.17992	0.8
256.26459	2.6
261.22186	2.6
269.96747	0.8
317.24838	1.1
342.35532	0.7
393.88165	0.7
419.33118	1.0
437.34280	3.9
455.35165	2.4
473.36505	0.8
511.37866	2.3
529.38977	100.0
530.39203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1922
Annotation	Nilotinib
Peak:m/z	Relative Intensity
58.76445	0.8
60.33434	0.7
63.91040	0.7
66.02654	0.9
70.06600	2.5
70.74522	2.7
71.09297	0.7
76.04009	1.7
83.06091	1.6
84.04048	1.2
84.04509	14.9
85.02906	6.6
85.04025	4.1
86.06067	2.9
93.05802	2.8
94.06556	2.4
99.05573	1.1
102.05546	3.4
112.03949	1.6
112.07615	1.2
113.03483	1.1
114.10344	0.8
118.06525	1.4
126.03745	32.2
129.06601	1.6
130.05002	44.0
131.04523	2.2
131.07301	2.7
132.08037	3.9
134.05956	1.2
135.02699	1.2
136.07562	1.7
136.97400	0.8
145.06059	1.3
147.73953	0.8
150.03722	3.1
152.05290	5.4
152.07080	1.4
153.06679	0.9
155.08125	0.8
159.02231	1.4
159.06812	1.3
160.07625	2.1
163.04077	0.8
164.05310	8.8
165.06560	1.4
166.03242	11.4
168.63754	0.8
176.07106	2.1
177.03291	11.0
177.07774	2.3
178.03233	1.9
178.08681	1.5
180.04791	3.9
185.03804	9.2
192.04787	16.2
194.06401	1.4
201.10330	1.7
204.06538	2.0
205.07288	1.5
206.08128	3.1
207.07585	1.6
208.09697	1.3
209.07431	4.1
210.05869	10.0
212.03766	1.0
218.06316	1.1
220.04265	7.5
222.09985	4.9
223.10832	15.1
225.12344	2.7
231.04355	33.0
238.05331	31.8
255.07991	100.0
264.06979	3.0
281.09549	7.8
288.06528	1.4
292.06381	4.6
298.12363	3.1
309.09036	2.4
313.11746	1.0
326.11667	2.0
328.10214	1.8
330.14343	1.2
364.13409	1.8
401.14896	36.3
401.20163	1.7
455.15988	10.5
530.18964	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	530.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21171	0.2
53.03954	0.3
55.01876	0.4
55.05527	0.3
57.03440	0.8
60.95943	0.3
61.02935	0.9
67.05508	1.0
68.05044	0.9
69.03436	2.2
70.06601	100.0
71.05016	0.5
71.52912	0.4
74.06017	0.2
79.05489	0.5
81.03432	1.0
81.07061	1.9
82.07375	0.2
85.02917	6.1
86.09726	0.5
87.04493	0.5
89.04300	0.4
91.03958	0.7
91.05499	0.6
93.07045	0.4
95.04961	0.2
95.08630	0.3
97.02908	2.4
99.04463	0.4
105.07047	0.4
107.08628	0.3
109.02902	1.0
109.10178	0.5
119.04995	0.4
123.04473	0.7
127.03932	1.1
135.08099	0.3
137.09624	1.0
138.10014	0.4
145.04999	1.4
147.04448	2.0
148.04842	0.3
151.03979	1.0
155.03438	0.5
160.07622	0.3
160.17159	0.2
163.04007	0.7
165.05411	0.3
165.09138	0.8
166.09441	0.6
169.04922	1.9
175.03976	0.6
179.03455	1.8
181.04993	2.3
185.04489	1.0
186.04953	0.4
193.04977	3.3
197.04482	17.8
205.05086	0.7
205.08647	0.6
209.04523	0.5
209.08192	0.4
211.00645	0.6
211.06035	17.4
223.06030	2.3
223.09650	0.4
229.08627	0.4
247.09653	1.3
265.10745	46.2
267.12335	1.2
281.08572	0.8
299.09503	9.6
338.23026	0.3
359.09894	0.3
368.15173	0.3
373.11462	2.1
427.16046	10.9
437.24063	0.3
443.13641	0.3
461.14832	15.2
503.60501	0.3
530.20618	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	530.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71130	0.3
53.03932	0.3
55.01878	0.4
55.05512	0.3
57.03442	0.7
59.67403	0.3
61.02922	0.8
61.88529	0.3
64.03133	0.3
67.05500	0.7
68.05045	0.9
69.03440	2.7
69.25700	2.4
70.06596	100.0
71.05000	0.4
73.02931	0.7
73.48281	0.3
79.05511	0.5
81.03429	1.6
81.07066	2.1
84.04493	0.3
85.02911	6.6
86.09689	0.5
87.04463	0.3
87.99324	0.2
91.03964	0.4
91.05483	0.6
93.07030	0.5
95.04963	0.4
97.02898	2.6
98.20729	0.5
99.04478	0.8
104.11897	0.4
107.08658	0.3
109.02898	0.8
109.10164	0.7
111.04472	0.3
111.59637	0.3
119.04930	0.4
121.10248	0.3
123.04437	0.5
127.03934	1.7
131.08563	0.3
133.10065	0.4
135.07991	0.3
137.09634	0.6
138.09961	0.7
145.04994	1.2
147.04431	1.7
148.04807	0.5
151.03923	0.7
163.03938	0.6
165.05511	0.4
165.09137	0.5
166.09506	0.4
167.03430	0.3
169.04984	1.7
175.03993	0.5
179.03435	2.2
181.04976	3.4
185.04501	1.2
186.04779	0.5
187.04105	0.3
187.07581	0.4
193.04967	3.3
197.04466	17.6
205.05037	1.0
205.08601	0.4
209.04462	0.8
211.00668	0.7
211.06010	17.1
223.06029	1.9
223.09772	0.8
229.01756	0.4
247.09685	1.4
265.10721	45.0
267.12320	1.0
281.08344	0.7
299.09503	10.5
373.11349	2.6
379.47327	0.3
383.16583	0.3
386.30096	0.4
413.26370	0.3
427.16080	11.1
461.14780	15.9
530.20587	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	530.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01859	0.9
56.21245	0.3
57.03420	1.6
58.67867	0.3
61.02919	1.4
69.03080	0.5
69.03431	5.3
69.35085	1.6
69.35487	1.1
70.06590	0.6
71.05006	0.8
73.02934	0.8
76.76842	0.3
79.05484	1.3
81.03429	2.2
81.07070	4.4
83.01345	0.5
85.02917	13.6
87.04469	1.3
91.03969	0.4
97.02908	4.8
98.20792	0.8
99.04440	1.0
104.07108	0.9
105.03416	0.5
109.02881	1.5
119.60090	0.4
123.04446	1.6
127.03931	2.4
128.88905	0.4
129.23444	0.4
130.69344	0.4
135.04413	0.9
139.03900	0.9
145.02965	0.5
145.04979	2.5
151.03903	2.3
151.79384	0.4
155.03397	0.9
163.03926	6.1
164.04276	0.5
164.07111	0.5
164.10728	0.6
169.04985	5.4
177.05482	1.2
179.03416	7.9
181.04967	9.0
183.02910	1.0
185.04456	0.8
187.03928	1.1
187.07599	1.0
190.08676	0.4
192.10214	0.7
195.06534	0.9
197.04478	42.7
201.09169	0.4
205.04987	3.0
205.08620	1.5
209.04552	2.7
209.08084	0.7
211.05989	0.8
213.95711	0.4
219.10222	0.7
223.06047	5.6
223.09679	1.6
229.08615	0.9
236.06721	0.5
247.09637	2.7
265.10739	100.0
275.05524	0.6
279.09860	0.7
336.10907	0.5
339.11801	2.5
347.07385	0.6
389.48730	0.4
427.16074	6.3
519.14130	0.4
530.20801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01876	7.9
55.05518	40.1
57.03183	2.6
57.03440	20.4
57.07081	3.5
58.21677	1.6
59.05011	2.8
65.03944	3.0
67.05510	100.0
69.03427	3.9
69.07075	21.9
71.01360	1.7
71.04994	6.6
71.08639	1.7
73.02913	6.7
79.05074	2.5
79.05505	43.4
81.03423	14.6
81.07066	84.3
82.07422	1.8
83.04993	10.3
83.08631	25.3
85.02907	14.7
85.06541	4.7
87.04461	8.7
91.04976	2.8
91.05492	33.4
93.07055	43.9
95.04984	7.9
95.08619	25.1
97.02892	2.3
97.06530	11.1
97.10186	14.3
103.03908	1.9
105.07045	15.6
107.04979	3.5
107.08597	29.6
109.06523	2.6
109.10165	42.2
111.08057	7.9
117.07034	15.1
119.08613	11.4
121.06539	2.0
121.10146	14.0
123.08100	2.2
123.11759	3.5
125.09661	18.3
129.05508	9.8
129.07027	3.7
131.08585	12.7
133.10127	17.2
135.11705	13.9
136.06219	3.2
137.09695	2.0
143.10680	2.0
145.10165	7.0
146.10460	1.6
147.11691	4.4
149.09688	2.2
149.13297	16.5
151.11212	2.7
153.12785	2.5
155.10725	1.6
157.10170	2.6
159.11696	9.2
163.09937	1.9
163.11143	9.6
173.11771	17.6
177.12788	5.1
181.12273	3.8
191.10703	2.0
193.12265	2.9
195.00310	1.9
195.13820	22.5
199.13322	10.8
209.11758	6.5
213.14857	2.6
227.12778	7.1
229.14366	47.2
230.31583	1.7
239.16467	2.4
267.16003	2.9
269.17499	62.5
283.15280	2.6
301.16455	11.7
411.27432	5.6
423.27460	22.0
495.29614	19.9
512.37653	2.3
513.30743	20.0
530.39276	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	530.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01863	3.1
55.05510	12.3
55.89684	1.2
57.03453	7.6
57.07076	2.3
65.03934	3.4
67.05511	69.5
69.03442	1.4
69.07080	16.8
70.23860	4.3
71.05003	24.1
71.20551	1.3
73.02915	1.3
79.05499	29.8
81.03418	3.5
81.07065	100.0
83.04979	5.5
83.08630	10.1
85.06554	9.0
87.04482	2.1
91.05492	25.7
93.06477	2.6
93.07050	42.6
94.07410	1.2
95.04967	3.9
95.08621	16.1
97.06549	9.9
97.10165	3.3
99.08105	1.9
105.07043	10.9
106.07370	1.5
107.08601	27.0
109.06546	2.0
109.10172	8.6
111.08080	5.2
111.11705	1.4
117.07037	5.6
119.08591	3.6
121.06485	1.7
121.10151	16.2
123.11730	11.2
125.09668	2.7
131.08600	7.3
133.10141	18.0
135.11676	6.0
139.11270	1.6
142.07576	1.2
149.13269	24.8
150.23457	1.2
151.11198	6.6
159.11690	11.7
166.36107	1.5
169.12207	1.5
173.11772	1.3
177.12785	6.1
183.13841	2.6
184.07318	1.6
187.13329	4.3
195.13837	10.6
213.14891	2.1
224.31406	1.4
229.14316	2.3
269.17499	33.9
276.20422	1.4
294.40408	1.3
301.16815	2.6
301.20102	23.6
326.31534	1.3
343.66446	1.3
363.25967	1.5
400.29697	1.3
437.29034	76.7
451.30615	14.5
463.30597	70.6
464.30676	1.7
495.33234	39.4
530.37085	2.7
551.10657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97950	1.0
53.03936	1.9
53.77956	1.1
55.01880	2.1
55.05523	10.0
57.03445	8.7
57.07084	2.3
57.50069	1.0
58.65523	1.1
63.18843	1.1
65.03939	2.3
67.05515	66.8
69.03417	1.6
69.07070	14.1
71.05005	23.0
73.02887	1.4
79.05075	2.3
79.05502	31.3
81.03436	3.0
81.07066	100.0
83.04983	4.7
83.08633	12.9
85.06565	8.9
91.05494	28.4
93.07058	44.1
95.04960	3.6
95.08626	15.4
97.06544	10.1
97.10194	2.3
98.21635	2.3
99.08093	2.8
101.23312	1.0
105.07063	10.8
106.07404	1.3
107.08613	26.6
109.06512	3.6
109.10164	9.2
111.08066	3.7
113.06009	1.4
117.07017	7.8
119.08575	3.3
121.10153	13.0
123.08042	1.4
123.11720	8.5
125.09651	1.6
131.08574	7.6
133.10146	18.6
135.08051	1.8
135.11720	5.7
137.14015	1.1
139.11163	1.7
149.09634	1.8
149.13272	20.7
151.11214	7.0
159.11716	8.9
167.14294	1.4
170.35019	1.4
170.49513	1.1
177.12766	5.8
183.13837	2.4
184.07288	1.6
187.13292	3.1
195.13858	7.7
201.14848	1.4
213.14954	2.2
229.14270	1.9
257.17523	1.8
269.17496	36.0
301.20139	20.2
391.28647	1.7
419.28036	1.5
437.29062	68.0
451.30655	13.1
463.30597	68.4
495.33286	36.3
530.36938	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	531.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
56.05032	0.4
65.03910	0.4
70.06587	0.8
70.24839	1.0
72.08148	0.5
74.00661	0.6
75.57897	0.3
76.03996	1.6
80.05019	1.0
83.06102	0.6
84.04049	0.7
84.04513	7.7
84.08144	0.8
84.33202	0.3
85.02911	9.1
85.04016	2.7
86.09688	1.1
91.05477	0.6
92.01704	1.1
93.05779	2.1
94.06578	0.9
97.01118	0.6
97.02937	0.4
99.02690	2.4
99.05555	1.0
100.02222	0.6
101.50375	0.4
106.06553	0.7
110.06036	0.4
112.03970	0.6
113.03484	0.9
117.05754	0.6
117.42339	0.3
118.06535	2.3
120.08086	0.9
124.02163	0.8
125.02965	7.9
126.03748	16.9
127.02158	1.8
129.06609	0.6
129.10222	0.6
130.05020	6.0
130.06503	0.8
131.03534	0.8
131.04543	2.1
131.07294	2.3
132.08096	2.7
132.95862	0.4
135.02649	3.3
136.02180	0.6
136.68094	0.4
137.04236	0.5
138.03728	1.2
139.03238	0.3
145.06097	1.1
147.26527	0.4
148.07549	1.3
150.03780	1.8
151.04497	0.8
152.05310	1.4
152.07104	0.4
153.06575	0.6
156.06610	0.4
159.02310	0.6
159.06824	0.7
160.00731	0.4
160.07623	1.0
164.05316	8.2
164.06885	0.8
166.03215	2.9
173.09171	0.6
174.03683	0.3
176.05670	0.4
176.07040	2.1
177.03317	6.9
177.07837	1.9
178.03192	0.5
178.08630	1.6
180.04790	1.2
181.06169	0.5
182.06366	0.7
184.04291	1.2
185.03787	2.9
190.06825	0.5
192.04797	10.3
194.08133	1.8
198.97015	0.7
203.54454	0.3
204.06535	1.0
205.07365	1.3
206.08151	0.8
210.05849	20.2
212.03775	0.7
218.06381	1.0
220.04306	1.9
223.08446	0.7
224.09172	10.1
226.10794	1.1
228.06895	3.9
231.04388	5.6
231.69351	0.4
234.99066	0.8
236.07489	0.4
238.05353	12.5
240.06841	0.5
240.97955	1.0
246.05841	0.7
256.06400	100.0
257.06836	0.5
258.08087	1.0
258.99103	0.9
264.06967	0.8
282.07974	6.6
288.06525	0.6
292.06332	1.2
299.10623	9.3
306.07465	0.5
309.08978	1.8
310.07455	8.2
327.10086	4.9
332.13626	0.5
365.11600	1.5
374.60422	0.4
384.12219	0.8
385.02121	1.4
393.11322	0.4
402.13287	17.3
438.13223	0.6
444.93881	0.4
456.14444	2.0
531.17383	2.4
531.30145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52994	0.8
70.21617	0.8
71.51487	1.1
71.51900	1.0
74.02463	0.9
91.05459	1.3
97.02845	0.9
115.05463	1.0
117.07063	0.8
118.06559	18.1
119.06879	1.3
130.04770	0.9
130.06561	1.3
132.08069	5.2
134.70909	1.1
136.24471	0.9
142.06497	1.1
143.07288	1.4
144.08109	10.0
146.06018	56.4
147.06380	3.3
155.69835	0.8
159.09189	6.8
170.06030	3.5
188.07076	100.0
189.07416	7.5
190.07660	3.0
205.09721	49.8
206.10114	3.0
207.10263	1.8
416.83185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03940	2.6
55.01866	1.4
55.05513	14.9
57.03427	2.3
57.07068	2.9
58.00947	0.7
65.03939	2.7
67.05508	46.3
69.03426	1.0
69.07076	16.1
69.56280	4.6
71.04990	3.0
73.02924	0.8
79.05496	28.9
79.91869	0.6
81.03433	4.2
81.07059	45.8
82.07387	0.8
83.04984	1.8
83.08622	12.8
85.06539	4.3
85.10192	1.2
87.04468	2.7
91.04907	1.0
91.05486	19.9
93.07049	30.6
95.04966	3.9
95.08611	58.0
97.06523	4.5
97.10155	4.2
99.08096	1.3
101.06033	0.7
105.00084	1.8
105.07040	15.4
107.08595	14.2
109.06549	1.6
109.10159	13.6
111.08085	2.1
117.07054	4.5
119.08587	15.7
121.10150	13.4
123.08116	1.5
123.11734	2.6
129.07034	1.9
131.08577	10.0
133.10127	11.2
135.11693	9.0
137.09624	1.0
137.13306	2.2
139.11140	0.9
141.09146	0.7
143.08611	1.9
145.10129	7.8
147.04451	0.9
147.11682	5.7
149.13257	4.7
151.11156	0.6
151.14780	0.9
155.08592	1.3
157.10179	2.8
159.11682	5.7
161.13268	10.8
163.14851	2.4
171.11700	1.8
173.13309	4.1
175.14890	1.8
179.14331	5.6
183.11745	1.0
185.13257	1.9
187.14832	1.1
189.16455	0.8
193.12315	1.4
197.15436	1.1
199.14832	1.1
201.16470	1.5
211.14832	1.0
225.16042	0.7
243.21063	1.2
253.14378	0.8
255.19522	1.5
261.22278	2.5
313.25323	1.2
317.24872	1.5
382.28247	1.3
405.23438	0.7
421.34540	1.8
439.35574	4.4
457.36850	1.7
475.38147	1.1
495.38058	0.9
513.39349	4.2
531.40491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40258	0.6
55.01872	0.9
55.05491	0.6
56.77032	0.6
56.82502	0.6
57.03432	2.1
59.58904	0.7
60.52500	0.5
61.02920	2.0
61.03215	0.5
67.05510	1.0
68.68777	0.5
69.03434	6.3
70.69082	1.1
70.69422	1.2
71.04990	0.6
72.17145	0.5
72.81364	0.6
73.02911	1.0
76.02219	1.0
79.05474	1.1
81.03418	2.7
81.07062	4.8
85.02906	13.5
87.04457	1.2
91.03958	0.9
94.44523	0.6
97.02914	4.1
99.04437	0.8
102.27157	0.5
103.05469	0.6
109.02869	1.4
123.04437	1.8
127.03901	2.2
130.05023	0.6
138.51921	0.5
139.03938	0.7
145.04993	2.8
151.03896	2.5
155.03380	1.2
159.07994	0.6
162.02240	0.9
163.03912	2.2
165.01741	0.6
169.04993	4.5
177.05479	1.3
178.61929	0.6
179.03418	8.8
179.04811	1.1
181.04976	10.0
187.03931	1.1
187.07504	1.3
197.04462	44.7
205.04927	2.5
205.08606	1.2
209.04437	1.4
209.08031	0.8
219.10216	0.7
223.06020	5.8
223.09656	2.1
229.08603	1.3
247.09636	3.5
265.10721	100.0
427.16071	3.6
481.55209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50446	0.4
53.03948	0.9
55.01872	0.7
55.05503	0.4
57.03442	2.4
58.60758	0.4
61.02925	1.6
61.16763	0.4
69.03442	4.9
69.94724	2.3
71.01339	0.5
71.04999	0.6
73.02919	0.6
75.24570	0.5
76.02231	0.5
79.05505	1.1
81.03411	2.2
81.07065	5.4
85.02916	14.0
87.04463	0.6
87.66513	0.5
91.03958	0.6
91.05484	0.6
95.04976	0.5
97.02893	5.1
99.04465	0.9
109.02884	1.8
123.04408	1.2
127.03905	2.1
135.08063	0.7
139.03877	1.0
145.04927	2.3
151.03911	2.4
155.03365	1.1
163.03934	2.7
164.59573	0.5
169.04977	4.5
177.05466	1.6
179.03409	8.8
179.04898	0.8
181.04959	9.6
183.02966	0.4
185.04507	1.0
187.03905	1.5
187.07487	0.6
195.06583	1.0
197.04477	43.2
201.09245	0.7
205.05031	3.0
205.08690	1.3
209.04562	2.6
209.08095	1.3
211.05957	0.7
221.04608	0.5
223.06052	5.1
223.09680	1.5
229.08691	0.6
236.06924	0.5
247.09717	2.3
265.10736	100.0
266.11035	1.4
286.41727	0.6
311.22498	0.5
427.15802	3.2
525.33026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.01871	0.8
57.03446	1.4
61.02930	2.5
65.03950	0.3
67.01869	0.6
67.05498	0.8
69.03429	5.3
71.04977	0.7
71.52396	0.6
73.02918	0.7
81.03424	2.4
81.07049	0.6
83.01350	1.0
84.08118	0.3
85.02911	15.0
87.04455	1.1
91.03955	0.9
91.80497	0.3
92.83859	0.3
93.07020	0.5
95.04953	0.8
95.08656	0.3
97.02891	5.1
99.04451	0.9
101.02403	0.3
104.07087	0.5
106.26778	0.3
107.06892	0.3
107.08578	0.3
109.02887	1.5
123.04427	2.8
127.03938	2.3
130.04984	0.3
133.02875	0.4
138.88150	0.3
140.80139	0.3
145.04951	3.0
147.04353	0.6
149.17647	0.3
151.03914	5.7
155.03427	0.6
161.02388	0.5
163.03886	0.3
169.04977	13.0
179.03404	19.3
180.52644	0.3
197.04462	100.0
198.04893	0.3
211.06046	0.9
214.91762	0.3
222.64024	0.3
249.11272	0.3
267.12286	76.7
359.09750	0.7
429.17572	16.1
532.19879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07246	3.8
55.05504	11.9
59.13639	4.1
66.69687	4.0
66.70072	4.3
67.05508	24.0
69.03420	15.9
69.07060	12.8
70.06594	6.3
71.53408	4.9
78.14249	3.9
79.05486	16.5
81.03422	4.0
81.07062	37.9
83.04988	27.8
85.02904	14.2
91.05476	17.5
93.07054	36.8
95.04972	16.9
95.08617	16.7
97.02869	7.8
97.06535	11.5
97.10170	5.1
105.07038	21.6
107.08609	36.8
109.06533	10.5
109.10170	75.8
119.08575	22.0
121.06497	8.0
121.10145	67.7
121.28633	3.9
123.08076	4.8
123.11781	7.8
125.09679	5.7
131.08595	19.3
133.10104	24.9
135.08058	12.9
137.06055	4.6
137.09673	22.7
137.10570	4.5
139.11194	7.5
145.10153	15.6
147.08011	4.3
147.11673	9.2
149.09618	27.4
151.11198	6.4
153.09109	3.9
155.10689	4.3
157.10129	16.6
159.08069	8.4
159.11632	6.6
161.09662	9.7
161.13283	3.7
163.11208	4.4
165.09160	26.0
167.10670	5.7
171.11659	8.9
173.13310	5.9
175.11147	8.4
177.09117	25.8
189.12700	9.9
191.10635	3.5
193.12244	14.8
194.44885	3.8
197.13249	5.4
199.11218	6.9
200.84171	4.6
201.12810	5.0
205.86017	4.3
211.13231	5.7
217.12386	8.7
218.08171	3.7
233.15392	5.2
235.13277	36.8
243.13927	5.3
253.14363	19.6
267.15924	4.4
271.02997	3.9
281.19119	6.9
283.62436	4.2
299.20145	37.9
317.21161	82.5
335.22165	100.0
386.57416	4.3
532.39215	11.6
545.71381	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05515	3.7
56.05028	1.0
57.03431	3.7
59.04998	2.3
67.05502	3.4
69.03430	4.8
69.07055	1.1
69.28864	8.1
70.06601	6.6
71.04994	20.4
73.02904	1.4
75.04472	2.5
79.05496	3.2
79.96973	0.8
81.03425	2.0
81.07059	8.8
83.04987	6.9
83.08640	0.9
84.04508	1.9
84.08147	1.5
85.02910	34.2
85.06545	1.6
86.09703	4.0
91.05476	6.4
93.07059	5.8
95.04967	2.0
95.08597	7.7
97.02903	2.3
97.06525	1.6
100.78915	1.0
101.06023	1.2
105.07037	71.5
107.04952	2.6
107.08616	5.2
109.02976	1.2
109.06527	2.7
109.10155	3.6
111.04443	2.7
113.06013	2.3
115.05429	1.2
115.07561	1.1
117.07053	1.8
119.04113	2.1
119.04945	23.5
119.05790	1.7
119.08588	16.1
121.06485	1.6
121.10140	12.9
123.04434	3.7
123.08095	5.0
125.05997	1.1
127.03909	1.9
128.06200	1.6
129.05490	8.7
129.07007	2.3
129.10254	1.5
130.07687	1.0
131.08557	10.0
133.06506	4.7
133.10139	20.0
135.08051	2.9
136.07539	2.7
137.09621	3.9
137.13254	1.4
141.06949	2.1
142.07802	1.5
143.08574	9.2
145.04919	1.6
145.10121	9.0
147.04442	2.2
147.06531	3.9
147.07953	5.0
147.11676	6.5
149.09628	30.7
151.03893	1.5
151.07541	2.3
152.34412	1.1
156.09348	23.3
156.10602	1.8
159.08093	1.1
159.11693	6.3
161.09615	1.4
161.13266	18.7
163.03929	10.8
165.05492	1.4
165.12712	1.2
167.07043	6.2
167.10568	1.2
169.08623	1.1
171.11699	57.1
173.13217	1.9
174.10410	1.1
175.03836	1.0
175.07475	1.1
179.14348	3.0
187.07608	2.5
189.12749	100.0
191.14304	3.7
193.05002	1.3
207.13812	34.0
209.04428	1.7
211.06012	6.6
217.08389	1.1
225.14839	13.4
265.10797	1.4
287.05585	1.3
309.11349	1.1
343.70129	2.0
369.13882	1.1
373.11322	1.4
397.44159	1.1
491.08679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	0.8
55.05515	5.0
57.03425	2.0
57.07083	5.7
61.02916	1.4
67.05494	0.8
69.03139	0.6
69.03434	6.6
69.80772	2.7
69.81181	1.3
70.06579	3.0
71.04971	1.6
72.08148	0.6
73.02895	1.0
76.02230	1.4
79.05470	1.3
81.03403	2.7
81.07051	1.7
83.04978	0.6
84.04496	1.3
85.02432	1.1
85.02902	10.3
87.08109	32.1
91.03938	1.3
91.05459	1.6
93.07024	0.9
95.05015	0.9
95.08607	1.5
96.63635	0.7
97.02886	3.2
97.06517	2.1
99.04427	1.1
107.08572	0.8
109.02859	0.9
109.06503	1.3
109.44983	0.6
111.08099	0.9
116.01687	1.2
116.07074	1.9
119.04896	1.2
119.08549	0.9
123.04441	1.3
127.03914	2.3
135.08075	1.2
145.04953	3.0
147.04419	5.3
163.03888	3.1
165.05457	1.6
169.04980	2.0
175.03908	2.2
179.03436	1.3
181.04991	1.1
183.06516	0.9
186.31039	0.8
193.04982	12.0
197.04431	7.6
209.15359	0.9
211.06018	100.0
217.10625	1.5
265.10709	17.9
267.12256	3.2
288.84045	0.7
297.13300	3.2
361.02325	1.8
373.11301	14.4
387.19397	2.1
399.96936	0.7
427.16013	12.4
534.23193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79821	0.3
53.03929	0.5
55.01859	0.4
57.03424	1.1
61.02929	2.0
67.01860	0.3
69.03082	0.5
69.03430	5.0
69.31540	2.2
71.04979	0.4
73.02944	0.5
81.03418	1.8
81.07048	0.8
85.02910	11.8
85.95060	0.3
86.09719	0.3
87.04481	0.7
88.65990	0.3
91.03944	0.7
91.05473	1.1
97.02392	0.3
97.02907	4.1
99.04436	0.9
109.02874	1.2
109.06519	0.4
113.69439	0.3
115.03873	0.3
119.04973	1.6
123.04448	0.3
127.03951	2.1
137.05957	0.7
145.04964	2.1
147.04408	5.7
151.03899	1.0
155.03412	0.5
165.05447	2.4
169.04971	2.1
175.03954	2.4
175.84673	0.3
179.03386	0.6
181.04918	0.9
183.06546	1.3
193.04974	14.9
197.04475	3.2
199.01454	0.3
211.06018	100.0
212.06274	0.5
223.06026	0.4
265.10721	9.1
265.13528	0.5
283.11801	1.8
318.90546	0.3
373.11307	19.6
427.15982	1.9
445.16495	0.5
534.54974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	0.8
55.05515	5.0
57.03425	2.0
57.07083	5.7
61.02916	1.4
67.05494	0.8
69.03139	0.6
69.03434	6.6
69.80772	2.7
69.81181	1.3
70.06579	3.0
71.04971	1.6
72.08148	0.6
73.02895	1.0
76.02230	1.4
79.05470	1.3
81.03403	2.7
81.07051	1.7
83.04978	0.6
84.04496	1.3
85.02432	1.1
85.02902	10.3
87.08109	32.1
91.03938	1.3
91.05459	1.6
93.07024	0.9
95.05015	0.9
95.08607	1.5
96.63635	0.7
97.02886	3.2
97.06517	2.1
99.04427	1.1
107.08572	0.8
109.02859	0.9
109.06503	1.3
109.44983	0.6
111.08099	0.9
116.01687	1.2
116.07074	1.9
119.04896	1.2
119.08549	0.9
123.04441	1.3
127.03914	2.3
135.08075	1.2
145.04953	3.0
147.04419	5.3
163.03888	3.1
165.05457	1.6
169.04980	2.0
175.03908	2.2
179.03436	1.3
181.04991	1.1
183.06516	0.9
186.31039	0.8
193.04982	12.0
197.04431	7.6
209.15359	0.9
211.06018	100.0
217.10625	1.5
265.10709	17.9
267.12256	3.2
288.84045	0.7
297.13300	3.2
361.02325	1.8
373.11301	14.4
387.19397	2.1
399.96936	0.7
427.16013	12.4
534.23193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
56.00331	1.0
57.01512	0.9
57.03433	2.2
58.77822	0.8
58.99590	1.2
59.04999	0.9
61.02931	2.7
67.05505	2.8
69.03438	7.5
70.06599	1.3
71.52842	1.0
73.02914	1.4
76.02228	2.5
81.03415	3.9
81.07062	2.3
83.01363	1.1
83.08643	1.1
84.04520	2.1
84.08128	2.7
85.02434	1.6
85.02911	18.9
91.03945	1.7
91.05492	2.1
93.07037	1.8
95.04952	2.2
95.08605	1.6
97.02887	6.1
99.04482	1.3
105.07053	1.2
109.02879	2.3
109.10168	1.1
116.01690	3.4
116.07030	0.9
119.08595	1.2
123.04442	2.9
127.03923	3.1
133.02867	1.0
144.01181	1.9
145.02856	3.0
145.04942	2.6
145.31229	0.9
149.02347	1.7
149.13290	1.3
151.03905	7.2
163.03943	2.2
164.04214	1.3
169.05008	12.4
176.03864	1.5
177.05481	5.5
177.12590	1.0
179.03403	21.6
193.06461	2.3
197.04468	100.0
201.49248	0.9
256.06967	1.4
267.12289	84.0
270.15262	2.2
284.18903	1.3
288.16318	1.2
359.09756	1.1
384.36371	0.9
387.19608	10.0
412.83655	1.0
429.17615	9.5
534.25604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.3
56.05036	0.5
58.06611	0.5
59.35226	0.2
60.08168	6.5
67.05505	0.6
71.07383	3.4
71.08588	0.2
79.05499	0.5
81.07063	0.5
86.09711	31.5
93.07032	0.3
98.21542	0.5
98.98464	2.5
104.10751	4.1
104.25174	0.2
107.08614	0.4
120.64938	0.2
125.00012	21.2
133.10077	0.3
134.01416	0.2
151.89757	0.2
184.07350	100.0
258.10992	0.4
322.32285	0.2
361.98679	0.2
402.15915	0.3
427.29672	0.2
516.30908	1.3
534.31989	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23661	1.7
51.44539	1.7
51.74837	1.9
52.07143	1.8
53.03943	2.5
55.05513	18.5
57.03444	9.3
57.07080	12.4
61.02921	7.2
67.05511	70.2
68.67746	1.7
69.03439	2.0
69.07073	24.4
69.73915	10.6
71.04987	3.2
71.08623	6.0
79.05511	14.5
81.07063	80.4
83.08630	21.4
85.02893	7.1
85.06548	2.5
85.10197	2.3
91.03952	2.2
91.05505	13.3
93.07066	21.9
94.92856	1.6
95.08617	73.3
97.02885	3.4
97.06532	6.8
97.10168	11.3
98.20856	3.8
99.08078	4.0
100.93935	1.8
105.07072	10.1
107.08610	17.9
109.10170	38.4
111.08085	4.1
111.11709	4.3
113.09671	2.1
119.08613	11.8
121.10150	21.7
123.11725	17.9
125.09742	2.3
127.11203	2.1
133.10130	13.9
135.11728	10.7
137.13280	7.2
141.12744	4.0
147.11685	11.0
149.13275	8.5
151.11154	2.6
151.14833	6.1
155.14287	2.7
161.13266	12.5
163.14806	9.9
165.16406	8.5
173.06812	2.4
175.14813	7.9
177.16484	2.1
179.17966	7.1
184.07443	1.9
189.16502	3.9
215.06247	1.8
245.22665	63.6
263.23730	100.0
281.24890	1.8
337.27393	72.5
341.24545	2.2
355.28482	8.1
499.32748	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	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05517	17.1
57.03433	4.6
57.07084	11.8
59.47498	1.9
61.02926	5.7
65.03949	2.7
67.05511	92.3
69.03422	5.2
69.07074	25.5
70.56970	4.4
71.04992	4.2
71.08625	7.0
73.02932	3.9
79.05489	24.3
81.03418	5.3
81.07064	100.0
83.04961	2.7
83.08620	21.4
85.02921	6.7
85.06532	3.9
85.10188	2.6
89.06022	2.5
91.05492	23.5
93.07056	32.6
94.54472	1.9
95.04995	2.6
95.08613	81.0
97.02899	5.1
97.06536	9.4
97.10174	15.1
99.04463	3.6
99.08086	5.0
105.07044	16.8
107.08612	18.0
109.10169	39.2
111.04465	2.0
111.08089	6.4
111.11695	4.6
113.09649	3.3
117.06998	2.1
119.08577	16.1
121.10155	25.6
121.20184	1.7
123.11714	22.4
125.09618	1.9
131.08626	3.1
133.10144	15.4
135.11717	12.8
137.13266	8.4
139.11165	2.1
141.12723	3.0
145.10118	3.6
147.11690	9.8
149.13292	14.5
151.11082	2.7
151.14812	8.4
155.14322	2.5
161.13280	17.5
163.14844	11.7
165.16434	8.5
171.11678	1.9
175.14838	13.2
177.00677	1.6
177.16376	4.0
179.14307	2.4
179.17928	5.9
188.76561	1.6
189.16447	5.8
193.04967	1.8
193.15901	2.8
217.19559	1.9
227.20145	12.7
227.53276	2.1
237.07677	1.8
245.20122	2.2
245.20825	1.4
245.22675	61.6
263.23724	86.5
305.24960	3.3
337.27374	38.1
353.24915	4.7
355.28369	5.7
371.25827	10.3
389.27002	8.5
407.27982	10.8
425.28659	3.5
534.42743	2.4
558.93005	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.44300	0.2
53.03951	2.0
55.01882	1.7
57.03427	1.1
59.05033	0.2
61.02928	1.2
64.72136	0.2
68.99792	1.2
69.03046	0.3
69.03432	5.6
69.07081	0.3
70.06583	0.6
70.85383	0.5
71.05002	1.4
73.02564	0.2
73.02920	1.5
79.05480	0.7
81.03423	7.1
81.07047	0.3
83.04964	0.5
84.08132	0.4
85.02911	12.2
87.00833	4.7
91.03975	0.5
93.07053	0.8
95.08604	0.7
97.02895	4.2
99.04467	2.5
103.05460	0.3
105.01871	2.7
105.03378	0.3
105.07066	0.3
107.08590	1.0
109.02888	5.8
109.06526	0.3
109.10138	0.3
111.00780	0.7
117.01852	1.0
121.02878	2.5
121.10141	1.2
123.08068	0.2
124.53372	0.2
127.03925	7.7
129.01808	0.6
129.05499	0.4
129.10262	0.3
129.21150	0.2
131.08571	0.3
133.02863	0.5
133.10147	0.7
135.08064	0.5
135.11626	0.3
137.02306	0.4
137.05948	0.3
143.81921	0.2
145.04977	3.4
145.06093	0.4
145.06485	0.2
146.31770	0.2
146.49208	0.2
147.02919	0.6
147.04399	0.7
147.11700	0.5
149.09610	0.4
149.13258	0.6
151.11174	0.9
153.01828	3.1
157.06483	0.4
159.02908	4.3
163.14824	0.3
165.01820	1.8
165.12755	0.5
173.13255	0.6
177.05544	0.7
183.02835	0.5
185.05945	0.4
189.64244	0.2
191.14305	2.1
209.15425	1.6
213.05589	1.3
227.16409	1.2
231.04703	1.3
241.04984	0.8
258.05283	0.9
259.06201	0.3
281.09216	0.2
287.05511	100.0
288.05902	1.0
423.09506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26138	0.2
53.03942	0.6
55.01862	0.8
57.03442	1.0
61.02936	1.2
65.03954	0.2
67.01869	1.1
67.05502	0.5
69.03436	2.7
69.86714	0.5
69.87112	0.4
70.06573	0.4
71.04990	0.6
72.08156	0.2
73.02923	0.6
75.23553	0.2
79.05475	0.3
81.03429	1.2
83.01350	1.7
84.04495	0.9
85.02910	9.6
86.09702	0.4
87.04504	0.4
88.87007	0.2
91.03964	0.5
91.05469	0.3
91.79478	0.2
95.01327	1.9
95.04964	1.3
97.02892	3.2
99.04438	0.7
100.78650	0.2
102.05554	0.3
105.03387	0.8
109.02891	1.2
119.03419	0.3
123.04440	4.0
127.03933	1.2
129.01845	0.4
129.10295	0.2
130.05002	0.5
133.02858	0.8
136.07758	0.2
137.02385	0.2
137.05922	0.2
140.66626	0.2
141.01820	1.1
145.02905	0.2
145.04959	1.3
148.06026	0.4
151.03909	6.9
155.03381	0.7
161.02362	0.8
167.03427	0.3
169.04974	11.8
177.03940	0.9
177.05431	0.5
179.03406	19.1
191.03537	0.2
195.02957	0.4
197.04462	100.0
198.05141	0.5
209.04503	1.9
221.04478	0.3
223.02235	0.3
225.03917	0.6
225.10216	0.3
227.05493	0.3
231.02699	0.3
239.11917	0.3
249.03949	0.4
253.09682	0.3
267.05005	0.8
267.11295	0.5
284.87967	0.2
287.05942	0.2
291.04996	0.6
295.10745	0.4
309.06000	1.8
313.11826	1.9
323.10153	0.2
327.07104	2.4
327.20078	0.2
337.05539	0.6
341.11420	0.3
355.06647	7.1
355.11105	0.5
359.09689	1.0
373.07642	21.2
373.13831	4.3
535.19794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.177
Annotation	Davallioside A
Peak:m/z	Relative Intensity
53.03939	1.4
55.01875	2.9
56.05058	1.2
57.03435	3.6
61.02924	4.2
67.65366	1.3
68.23340	1.2
68.98371	1.3
69.03433	10.2
69.07076	1.4
70.08768	4.8
71.04980	1.9
73.02925	3.7
76.02240	1.5
79.05517	1.9
81.03422	6.0
81.07072	2.2
81.98129	1.2
83.01331	1.9
84.04521	1.9
85.02915	25.3
85.94244	1.1
86.09698	1.4
91.03930	1.9
91.05493	1.7
95.04969	1.6
97.02896	7.5
97.06526	2.1
109.02895	3.6
115.07582	4.3
117.07037	2.3
117.43875	1.1
118.06554	9.8
123.04483	3.1
127.03934	4.4
130.06535	77.2
132.08067	2.4
137.05898	1.3
143.07309	2.8
144.08098	29.9
145.02878	3.6
145.04980	3.3
145.06062	1.5
147.04404	3.9
151.03915	9.5
160.07530	2.9
163.03944	1.9
167.03433	4.0
167.05605	1.4
167.07161	1.3
169.04971	11.4
172.07599	25.9
172.09082	2.0
173.02286	1.3
175.03935	3.5
177.03374	1.5
177.05467	3.4
178.05862	1.7
179.03419	18.5
185.04495	9.7
190.08646	51.5
191.03458	4.5
193.04990	9.4
196.07402	1.4
197.04475	87.3
203.03412	11.2
209.04462	30.2
211.06131	2.2
221.04471	39.8
227.05482	1.8
234.31589	1.3
239.05519	69.7
257.06580	100.0
259.11105	2.4
276.26706	1.2
284.02271	1.4
294.46405	1.3
299.06122	2.2
309.75330	1.2
326.10260	4.0
338.10297	19.4
443.52509	1.3
500.15295	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.05504	5.3
56.05034	1.5
57.98781	1.0
58.99589	14.8
61.04902	0.9
67.05506	5.8
68.88961	1.2
69.03417	2.5
69.07063	3.5
70.06597	1.1
71.05000	1.8
71.47752	1.5
74.00625	2.2
76.02232	82.3
76.04008	5.9
77.73700	1.2
79.05495	6.5
81.03422	22.5
81.07072	7.4
83.04982	6.8
83.08614	9.5
84.04510	22.2
84.08125	1.4
85.02894	2.1
85.04024	4.9
86.09696	1.1
86.99055	2.3
88.02221	2.5
91.05468	7.6
93.07043	2.5
95.04972	7.0
95.08584	1.9
97.01123	1.3
97.06552	1.4
97.10155	2.2
99.05579	1.0
103.69866	0.9
105.07004	4.1
107.04932	1.9
107.08582	2.4
111.08096	4.5
112.03985	1.5
116.01682	22.7
119.08559	4.0
120.08092	1.7
121.10184	2.2
129.06950	2.4
130.05000	18.7
131.04498	2.8
131.08591	2.4
133.10126	4.2
142.03235	8.7
144.01155	11.2
145.06075	2.6
147.11647	3.4
149.09637	1.5
157.10094	4.2
162.02206	47.3
170.02731	3.1
175.11185	5.1
177.03351	10.4
179.04860	84.2
181.05989	1.3
185.03822	1.8
187.05397	2.9
193.12260	15.9
211.13289	32.8
215.04782	2.3
217.41466	1.4
224.46329	1.0
231.04402	1.1
233.05919	22.1
245.05893	4.3
268.13742	2.3
286.14816	2.0
288.06296	2.3
290.08084	1.6
291.06503	2.3
294.16638	1.5
302.53323	1.2
306.07397	1.4
308.09122	100.0
308.47092	1.1
425.57602	1.3
518.21625	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88891	0.3
56.05044	0.5
60.07885	0.5
60.08167	6.4
67.05498	1.0
69.07027	0.3
69.17481	1.2
69.17905	1.6
69.60870	0.3
71.07372	2.9
75.32467	0.2
79.05467	0.3
81.07059	0.6
81.65258	0.3
86.09712	28.5
95.08593	0.3
98.98480	2.6
104.10755	2.8
125.00015	19.2
180.60799	0.3
184.07352	100.0
186.57349	0.3
299.06393	0.4
309.99200	0.3
351.05539	0.3
462.27090	0.3
500.31320	1.1
518.32507	7.3
549.07709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69516	2.7
55.05516	29.8
57.03429	6.9
57.07077	18.1
60.08160	3.8
61.02919	5.3
63.51733	1.9
67.05182	3.4
67.05509	41.2
69.07075	53.1
69.94852	3.5
69.95247	5.1
71.05006	2.7
71.08643	12.8
73.02911	3.0
75.04482	2.3
76.34391	2.1
79.05502	21.0
81.07063	51.1
83.08627	46.6
85.02911	6.7
85.06529	3.0
85.10175	6.7
86.09689	7.0
91.05449	3.8
93.07044	22.5
95.08617	52.1
97.02837	2.7
97.06519	8.1
97.10173	33.3
104.10721	7.4
107.08602	19.1
109.10170	22.1
111.08087	7.0
111.11742	10.7
119.08574	2.5
121.10156	53.2
121.21516	2.9
123.11705	9.3
125.00031	3.8
125.09605	3.0
125.13264	3.1
131.86508	2.2
135.11705	37.0
137.13293	3.6
139.11192	5.8
143.13162	2.0
149.13295	15.1
149.62498	2.3
151.14833	6.8
153.12714	3.2
163.14819	8.1
165.16382	8.0
167.14279	2.5
177.16400	2.5
184.07375	13.6
191.17888	3.1
237.38257	2.7
247.24232	45.7
265.25287	100.0
283.26337	18.4
299.06104	5.3
339.28949	100.0
357.30002	38.2
427.66028	2.2
486.38620	2.4
486.45566	2.3
501.34048	2.7
536.36853	7.6
552.95148	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91351	0.6
53.03947	1.4
55.01868	0.6
57.03444	0.8
58.11251	0.5
61.02921	0.5
65.21429	0.5
69.03443	6.3
70.06588	1.5
71.01076	1.3
71.04992	0.6
74.70665	0.7
81.03428	5.6
81.07039	1.4
84.04518	1.1
84.08148	1.0
85.02915	6.6
85.06523	0.6
86.09706	1.5
87.00833	3.6
87.04474	1.0
91.05472	0.9
93.07056	1.1
95.41901	0.5
97.02908	11.4
99.04484	3.3
105.01859	1.6
107.08627	0.6
109.02902	1.4
119.08530	0.9
121.54157	0.5
127.03930	6.8
133.10139	1.0
139.11235	0.6
142.06778	0.5
145.04994	3.1
147.04480	0.7
147.11639	0.6
151.03896	0.6
161.06053	0.8
177.09113	1.5
189.05406	0.8
190.06392	2.7
197.09656	0.9
200.08316	0.7
204.07837	0.9
205.08601	10.6
207.03043	0.6
207.06561	1.4
210.06895	0.7
211.07541	1.7
214.06322	0.7
215.10748	1.9
225.09206	2.6
228.07851	2.9
229.08632	3.9
231.05029	2.3
240.07684	0.7
243.10229	13.2
246.99664	0.6
247.09697	39.0
253.08635	2.7
256.07385	4.1
271.09695	30.1
283.09659	0.9
289.10748	100.0
299.06143	0.8
301.10709	1.7
315.12064	0.6
331.11752	0.7
333.13333	1.3
455.34277	0.6
480.30072	0.6
514.90137	0.6
530.08960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
53.82579	0.4
55.01883	4.3
57.03448	2.2
61.02950	2.5
67.05518	0.4
67.40517	0.4
68.99785	1.7
69.03086	0.7
69.03437	11.6
69.85175	0.8
69.85588	1.4
70.06602	0.7
71.05001	2.3
71.05324	0.4
73.02916	3.1
74.09698	0.4
79.05515	0.4
81.03428	15.6
81.07078	0.4
85.02916	26.5
86.09717	0.6
87.00843	10.0
87.04453	0.6
91.03969	1.2
91.05449	0.5
93.07042	0.7
95.08595	0.5
97.02296	0.7
97.02901	10.0
99.04471	6.1
105.01887	6.1
107.08582	0.7
109.02896	12.5
117.01873	2.2
127.03938	19.6
129.01883	2.2
145.04982	9.4
147.02939	0.9
147.04405	0.5
156.44890	0.5
159.02924	9.3
175.03963	0.6
177.04001	0.5
177.09108	0.6
183.08002	0.6
187.07602	1.1
190.06288	3.2
197.09601	0.7
201.09059	0.6
204.07898	1.4
205.08620	9.1
207.06610	1.8
210.06851	0.9
211.07588	2.3
212.08380	1.1
213.03859	0.8
214.06268	0.9
215.10728	1.5
225.09143	2.3
228.07808	2.9
228.17628	0.4
229.08580	4.3
231.05022	3.0
240.07852	1.1
243.10217	14.6
247.09694	41.5
253.08577	2.0
254.09563	0.5
255.10153	0.5
256.07278	2.8
259.09579	0.7
267.10162	0.9
271.09683	35.8
283.09814	1.1
285.11243	0.4
289.10739	100.0
295.09723	1.3
301.10922	0.8
313.10748	4.4
327.12430	0.6
331.11832	4.1
337.10687	0.6
351.12228	0.8
355.11789	3.1
361.10858	1.0
379.12000	2.4
389.20251	0.5
397.12872	3.5
483.12854	2.0
537.15826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58813	0.6
53.03937	1.5
55.01861	1.5
55.05511	1.1
55.11433	0.7
57.03431	1.2
61.02912	2.5
67.01856	1.5
67.05495	3.2
67.37467	0.7
69.03432	5.7
69.07079	0.9
69.68963	3.5
69.69364	1.7
71.04987	1.2
73.02898	0.9
79.05505	3.5
79.37088	0.7
81.03401	3.1
81.07039	1.8
81.26953	0.8
83.01321	1.8
85.02909	17.3
91.03959	1.2
91.05493	4.9
93.07053	5.5
95.04945	2.1
95.08589	2.7
97.02887	5.6
99.04406	0.9
105.06406	1.0
105.07042	12.0
105.53716	0.7
107.08600	9.8
109.02880	1.8
109.06512	0.8
109.10146	2.5
117.07061	0.8
119.04983	0.8
119.07807	1.1
119.08595	13.1
121.10149	24.5
123.04420	5.0
127.03952	4.3
131.08563	2.8
133.07582	1.0
133.10130	6.7
135.11697	20.0
145.04971	1.9
145.10161	1.9
147.04419	2.5
147.11694	34.6
151.03903	7.5
155.03363	1.1
161.13237	2.3
163.14725	0.8
167.03444	1.4
169.04965	14.1
173.13278	7.1
175.03883	1.3
177.05577	1.7
179.03410	20.9
181.05009	1.0
183.02968	0.8
185.04474	2.5
191.14410	4.5
193.04953	6.7
197.04465	100.0
198.97977	0.8
203.03400	1.8
205.05038	1.1
207.06622	1.0
209.04472	2.8
211.06024	30.5
211.08014	1.6
217.04930	1.6
219.06627	1.4
221.04442	4.7
223.06015	5.4
225.07495	1.2
229.91876	0.7
233.07887	0.9
235.06081	6.0
237.07530	8.9
241.06949	1.0
249.07657	1.2
251.09055	2.0
257.08005	1.0
257.61224	0.8
261.07471	0.7
263.09177	2.4
271.09708	0.9
275.09167	6.6
283.09561	2.0
287.09174	1.5
289.11026	1.4
289.13925	0.8
301.10712	4.1
303.12344	0.8
315.12332	1.8
331.15430	63.9
332.15768	1.0
357.16989	47.2
358.17316	1.4
359.09747	4.3
375.18054	26.3
470.50687	0.8
472.85880	0.8
493.20755	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	537.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.5
55.01857	4.4
55.05517	29.6
57.07067	8.9
61.02923	3.4
67.05509	30.7
69.03428	10.2
69.06792	3.2
69.07077	39.7
69.59015	8.1
69.59423	12.6
70.06600	5.6
71.04986	12.9
79.05495	20.9
81.03418	10.1
81.07058	97.0
83.04971	7.3
83.08618	13.8
84.04485	5.0
84.08145	4.8
85.02910	12.2
85.06544	6.2
91.05466	17.0
93.07053	65.7
95.04992	27.2
95.08616	68.0
97.02887	7.6
97.06522	12.0
97.10162	22.2
99.08103	5.9
105.07036	34.1
107.08617	42.8
109.06511	9.2
109.10162	43.9
111.08102	13.9
111.11718	8.4
117.07014	4.3
119.04921	4.1
119.08574	29.7
121.06560	5.1
121.10162	46.3
123.04443	6.2
123.11720	57.6
125.09621	7.8
131.08560	8.7
133.10104	19.2
135.08089	4.2
135.11699	36.4
137.09641	6.0
137.13261	7.9
139.11205	17.0
141.12747	4.3
145.10101	14.2
147.04420	7.7
147.11717	30.0
149.09592	5.0
149.13222	11.3
151.03908	25.0
151.11195	7.4
152.04279	7.6
153.12743	16.0
157.12233	10.5
159.11742	19.8
161.13246	10.4
163.03960	9.0
163.11177	11.4
163.14835	6.4
165.12781	11.4
169.12227	6.5
171.13884	11.3
173.13248	5.3
175.14772	5.4
177.05537	4.4
177.12773	7.3
187.13293	20.1
187.14769	7.1
193.15927	4.1
195.13832	7.7
201.16441	5.7
205.15785	4.1
218.70589	3.4
219.10190	18.4
220.10461	11.6
241.25645	3.5
275.23758	17.1
285.22031	8.1
289.10892	4.1
291.23129	12.0
293.24728	15.0
299.06363	5.9
300.06094	3.7
303.23187	100.0
309.24271	12.3
314.22675	4.6
321.24246	49.0
339.25299	16.1
375.21539	24.7
537.26898	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3277
Annotation	glas#24
Peak:m/z	Relative Intensity
55.05513	29.2
57.03450	3.8
57.07084	6.6
58.43740	3.1
63.55478	3.3
67.05510	34.9
67.89391	3.5
69.03412	8.5
69.07070	46.6
70.06588	5.5
71.04981	11.5
73.06564	3.4
79.05495	20.1
81.03413	5.7
81.07061	100.0
83.04995	7.3
83.08604	13.2
84.04493	3.7
84.08159	4.0
85.02918	10.7
85.06516	5.4
91.05473	16.1
93.07047	62.0
95.04967	24.9
95.08622	66.0
97.02883	7.1
97.06525	10.1
97.10172	29.4
99.08073	4.6
105.07045	37.5
107.08602	36.6
109.06520	10.0
109.10168	53.4
111.08123	7.2
111.11728	5.1
119.08585	27.4
121.10157	39.2
123.08073	5.5
123.11705	47.0
125.09621	7.3
127.03919	4.5
131.08566	6.9
133.10133	18.6
134.88205	2.8
135.04460	3.4
135.11687	33.5
137.09665	4.3
137.13248	14.3
139.11203	17.6
145.10117	9.1
147.04416	5.1
147.11705	31.2
149.09677	3.6
149.13264	11.5
151.11211	4.5
153.12729	12.0
157.10152	4.7
157.12221	10.6
159.11716	16.4
161.13216	6.7
163.03926	6.4
163.11201	10.6
163.14815	4.5
165.12729	8.5
169.12215	6.8
171.13770	7.6
173.13203	8.2
175.14806	5.3
177.05478	4.6
181.12335	3.8
187.13315	21.5
187.14783	4.7
191.06877	3.7
203.12759	6.1
275.23672	12.9
285.22104	12.4
289.10791	3.8
291.23160	12.1
293.24796	15.0
303.23190	94.6
309.24142	14.2
314.49515	3.2
317.38452	3.8
321.24231	49.6
339.25308	17.3
375.21268	3.5
398.41638	4.0
537.25873	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	538.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.0
56.44098	0.5
61.02916	0.5
61.61602	0.5
67.05506	0.7
69.03423	0.8
73.01138	0.6
78.04724	0.6
79.05472	1.0
81.07059	2.9
83.08607	1.7
84.04505	0.7
85.02905	1.0
86.76391	0.5
89.03918	6.5
91.05483	1.2
93.07046	1.0
94.96884	0.4
95.08614	0.8
103.05428	0.5
105.07001	1.5
105.79372	0.5
106.04157	0.8
107.04900	0.6
107.08600	0.5
109.10191	0.5
115.05772	0.9
115.26988	0.5
117.03385	21.0
121.06516	0.5
122.70454	0.6
124.05207	0.6
128.42232	0.6
131.05113	1.3
132.05649	0.6
133.06485	1.0
134.03622	1.4
135.04431	1.8
137.05882	0.6
145.02849	50.4
147.04439	0.8
149.05980	6.5
154.06221	0.5
158.06105	0.6
160.05273	0.5
161.05951	2.6
163.03835	0.8
167.07030	2.0
176.14427	0.5
177.05473	100.0
182.09435	0.7
186.05519	1.7
192.07851	1.3
193.08661	3.2
206.08156	0.7
209.08044	2.1
210.08871	1.5
213.13126	3.1
259.11111	1.7
264.42081	0.5
296.70834	0.5
328.11835	3.9
332.15082	0.5
354.13373	0.9
362.16025	1.5
445.77646	0.5
508.19183	1.3
521.26904	0.7
538.20374	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	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01869	3.9
55.05516	8.3
57.03439	5.2
60.86259	1.0
61.02932	1.4
65.03915	1.2
67.05511	15.6
69.03437	14.0
69.07079	3.0
71.01342	1.7
71.04996	3.4
73.02924	1.7
79.05499	13.9
81.03425	84.5
81.07059	11.0
83.04996	2.6
83.08622	10.4
85.02921	10.3
90.67577	0.9
91.05491	13.6
93.03412	1.1
93.07056	9.8
95.01336	2.8
95.04979	32.2
95.08591	6.3
97.02900	11.7
97.06501	1.1
97.10181	3.5
99.04475	3.5
103.03956	6.1
103.05453	2.4
105.03451	1.1
105.07052	11.1
107.04977	12.2
107.08613	7.3
109.02885	12.9
109.06538	3.9
109.10119	2.0
111.04452	3.8
111.08110	5.3
115.05448	1.5
117.07038	6.0
119.04945	2.4
119.08572	9.9
121.02891	3.0
121.06513	7.0
121.10137	4.9
123.03580	1.6
123.04440	21.1
123.08089	2.3
125.09645	2.8
127.03954	4.9
129.07010	7.4
131.04939	3.8
131.08568	5.9
133.06511	3.4
133.10143	4.3
135.04457	1.3
135.08076	3.0
135.11705	2.7
136.01570	2.1
137.05980	2.9
139.03949	5.3
142.07780	2.1
143.08629	2.1
145.04971	2.2
145.06500	2.6
145.10144	6.3
147.04436	8.2
147.08043	4.9
147.11691	4.7
149.02374	6.8
149.05980	2.7
149.09627	3.7
153.09160	2.3
155.08546	1.6
157.06561	1.7
157.10155	5.5
161.06000	4.3
161.09627	1.5
163.03947	1.1
163.11235	5.2
165.05559	1.0
167.03415	17.2
169.10139	1.5
171.08095	1.5
171.11707	4.7
173.06020	1.9
173.09641	3.1
175.11197	3.8
177.05614	1.1
185.04477	100.0
189.05475	3.2
189.11256	1.5
189.12711	5.8
191.10675	1.6
193.12238	14.9
199.11200	2.3
205.12137	1.3
207.13867	3.9
209.04491	2.5
211.13249	1.8
217.12309	5.2
223.05981	1.1
223.13246	3.2
227.05472	1.9
231.13747	1.2
235.13319	53.0
237.12831	1.2
247.13316	2.1
249.14929	2.8
253.14374	2.9
255.13811	1.5
259.13300	9.9
268.65445	1.1
270.08923	6.8
273.14902	19.8
273.88754	1.2
275.12729	1.6
277.14374	23.0
279.08740	1.8
283.13287	2.0
289.14124	2.0
291.12161	1.2
291.15848	2.0
295.15472	1.5
301.14352	25.3
319.15479	22.0
335.15021	1.2
337.16525	12.1
355.17419	2.3
359.14761	1.8
534.65607	1.0
539.27545	4.6
556.93610	1.0
564.62366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52729	0.9
53.03959	5.9
55.01883	3.1
55.05516	6.6
57.03435	3.4
65.03941	2.2
67.05513	14.3
69.03441	14.0
69.07063	2.6
71.01357	1.5
71.03278	1.8
71.03614	1.0
71.04994	3.0
73.02908	1.9
79.05507	15.8
81.03426	82.9
81.07056	10.7
83.04990	3.7
83.08633	10.2
85.02424	1.4
85.02901	10.4
87.04462	0.9
91.05492	14.6
93.03416	1.1
93.07053	9.3
95.01333	2.0
95.04977	34.5
95.08623	3.3
97.02916	10.5
97.06509	2.0
97.10172	4.2
99.04464	2.1
103.03972	6.5
105.07031	9.7
107.04964	12.0
107.08602	6.1
109.02903	14.0
109.06536	3.0
109.10172	1.7
111.04449	4.4
111.08086	3.9
113.02345	1.1
117.07022	4.3
119.04953	2.6
119.08587	9.4
121.02883	3.1
121.06529	4.8
121.10152	4.7
122.34595	1.0
123.04437	20.5
123.08100	1.6
125.09695	1.7
127.03930	3.1
129.07016	5.5
129.10376	1.4
131.04948	3.8
131.08537	6.4
133.06511	3.0
133.10149	4.0
135.04448	1.3
135.08000	2.6
135.11737	3.2
137.06009	1.8
137.09619	1.7
139.03935	4.4
142.07800	1.4
143.08553	2.3
145.04999	1.2
145.06520	2.1
145.10144	4.5
147.04446	5.7
147.08084	3.9
147.11696	4.2
149.02339	7.1
149.05998	3.4
149.09613	3.6
153.09099	2.9
155.08682	1.2
157.10132	4.2
159.11833	1.8
161.06013	2.9
161.09612	1.1
163.03903	1.3
163.11180	6.2
167.03435	16.0
168.09274	1.0
171.11729	2.5
173.09579	2.7
175.11214	4.8
177.05525	1.3
185.04475	100.0
187.11122	1.3
189.05458	3.9
189.11244	1.9
189.12778	4.2
191.10706	1.9
193.12265	13.5
196.24216	1.1
199.11238	1.9
200.37146	1.0
203.14339	1.5
205.12215	1.8
207.13805	4.5
209.04480	1.9
211.13266	1.9
213.12979	1.3
217.12285	4.2
223.06001	1.2
223.13289	3.5
227.07256	2.1
231.13803	1.7
235.13310	52.7
241.12315	1.4
245.15465	1.4
247.13350	2.1
249.14861	1.6
253.14384	2.8
255.13832	1.8
259.13303	10.1
270.08859	9.3
273.14871	20.6
275.12939	1.5
277.14377	19.3
283.13235	2.2
289.14310	2.4
291.12494	1.3
291.15854	1.7
293.13931	1.0
301.14371	24.2
319.15424	17.7
337.16479	14.4
355.17517	2.1
377.23117	1.5
539.28082	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.5
57.03429	4.9
57.07074	5.0
59.07919	3.1
61.02933	3.7
66.69756	2.8
67.05515	28.7
69.03419	18.0
69.07072	41.5
70.06589	3.0
71.04980	6.1
71.52870	5.1
79.05481	16.7
81.03428	5.2
81.06586	5.8
81.07063	100.0
83.05001	3.9
83.08625	9.4
84.08173	4.5
85.02892	13.0
85.06534	12.0
86.09701	3.7
91.05480	13.9
93.07050	39.5
95.04964	4.0
95.08612	79.9
97.02872	6.3
97.06526	9.8
97.10177	26.4
105.07024	20.0
107.08600	43.9
109.06540	3.7
109.10154	34.3
111.08075	20.8
111.11707	14.1
119.08579	39.6
121.10148	31.9
123.08045	3.3
123.11714	67.7
125.37186	3.0
127.03922	6.4
133.10097	6.9
135.11676	19.4
137.13266	29.7
139.03871	3.0
139.11171	20.9
141.12701	4.1
143.10735	3.5
145.02881	6.0
147.04388	6.9
147.11700	23.9
149.09669	3.9
149.13268	42.2
151.03955	4.4
153.12779	6.2
155.14275	4.3
157.10155	4.2
157.12233	21.8
159.11560	3.1
161.13307	5.6
163.11169	4.6
163.14832	9.1
165.12733	10.7
167.03398	7.4
167.14258	3.9
169.12251	6.4
175.11176	11.8
176.27965	3.9
177.05440	8.9
179.03493	4.0
181.12231	5.0
185.04408	19.2
187.13301	27.3
193.04970	4.1
193.12267	23.1
195.13939	3.6
197.04530	7.7
203.12837	11.7
203.17958	3.9
205.05011	3.8
215.17938	3.5
223.05959	15.0
241.07147	3.7
249.07558	5.3
249.18605	5.0
287.23499	4.9
293.24734	19.2
305.24759	81.1
311.25711	8.9
323.25787	55.8
329.26794	5.4
341.13998	3.6
341.26688	8.8
359.14825	5.2
359.27896	12.3
377.15839	3.9
539.21008	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	539.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01881	4.0
55.05515	18.1
57.03428	2.8
57.07078	6.2
59.69608	2.4
61.02927	2.7
62.66125	2.4
64.66566	2.4
65.03955	3.1
67.05515	24.4
69.03437	24.0
69.07069	27.7
70.06683	9.9
71.04997	6.6
71.48096	2.7
79.05498	13.4
81.03419	6.6
81.07063	72.9
83.04994	3.5
83.08629	7.9
85.02923	15.0
85.06544	10.4
88.57341	2.3
91.03957	2.2
91.05475	25.3
91.52406	2.7
93.07045	38.9
93.81313	2.3
95.04980	6.4
95.08611	64.6
97.02919	6.5
97.06532	9.5
97.10178	22.8
99.04433	2.6
99.08102	4.0
101.02388	2.8
103.05452	2.7
105.07042	32.7
107.04905	2.4
107.08600	47.2
109.02885	6.6
109.06544	4.3
109.10164	25.7
110.07145	2.1
111.08083	15.5
111.11750	8.4
113.06014	3.1
114.10912	2.2
117.07025	5.6
119.04919	2.9
119.08592	100.0
121.06440	3.2
121.10157	39.2
123.04453	4.2
123.08073	2.2
123.11723	53.4
125.09617	4.0
127.03943	13.1
131.08569	4.6
133.06528	2.9
133.10146	9.7
135.08157	3.3
135.11708	17.6
137.09616	10.5
137.13263	21.6
139.03954	4.7
139.11166	14.2
141.12775	5.0
142.07793	3.5
143.03252	2.6
143.08551	4.4
143.10690	3.7
145.02840	3.6
145.04968	4.7
145.10127	6.3
147.04442	7.2
147.08018	3.4
147.11705	50.5
149.02333	3.2
149.09631	5.2
149.13280	30.1
153.12791	3.6
155.03377	7.1
155.14371	4.2
157.10139	5.1
157.12248	16.7
159.11714	2.9
161.13203	3.0
162.95023	2.4
163.03897	5.6
163.11195	9.9
163.14850	7.8
165.12764	24.5
167.03375	11.3
169.05019	2.7
169.12259	5.7
173.13332	2.9
175.04062	2.6
175.11195	29.8
177.05473	11.1
179.03348	4.8
181.05000	9.3
181.12248	9.3
185.04459	50.2
185.11734	2.7
187.13312	20.4
193.04999	9.6
193.12262	64.8
195.87155	2.5
197.04550	11.4
203.12755	12.5
205.05020	13.4
211.06041	13.1
211.13321	11.8
215.14278	2.3
215.93825	2.4
223.06013	32.9
235.13370	3.6
237.18527	2.8
241.07146	14.5
243.06606	3.7
249.07623	8.7
261.07605	8.3
267.08554	4.0
270.93674	2.4
273.18509	5.2
277.25372	3.6
279.08691	7.3
281.11429	3.4
287.23706	4.0
293.24719	13.2
305.24774	46.7
311.25793	5.1
317.13907	10.8
323.25830	46.2
329.26846	4.0
331.15308	3.9
337.16388	5.8
341.13934	5.3
341.26724	3.6
359.14859	13.6
359.27914	10.8
377.15952	10.1
481.20538	2.9
521.19391	3.9
539.21155	9.6
539.28314	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
55.05518	19.0
57.03434	9.7
57.07076	40.7
61.35172	2.9
64.86813	2.6
67.05507	29.6
69.03441	3.2
69.07063	10.9
69.29491	6.3
69.29917	15.7
71.04996	2.7
71.08637	27.7
71.90199	2.4
79.05507	22.9
81.03432	4.3
81.07066	37.9
83.04964	7.5
83.08618	19.2
85.10170	19.6
89.06037	3.3
91.05483	10.1
93.07047	33.9
93.80795	2.9
95.04948	5.9
95.08610	56.8
97.02888	3.1
97.06544	3.4
97.10187	7.9
105.07006	6.5
105.20969	3.0
107.04963	8.5
107.08588	24.3
109.10160	11.4
111.04383	3.2
117.07047	12.4
119.08578	11.2
120.09341	2.5
121.06510	6.5
121.10152	16.9
123.11637	3.0
131.08562	3.1
133.10074	3.8
135.11685	40.6
143.08586	3.3
145.10124	29.1
155.08621	2.8
157.10071	3.2
163.11168	49.3
181.12239	7.7
209.11763	2.9
218.74327	3.3
227.12790	95.9
239.23776	6.2
253.11168	2.6
257.24667	3.1
265.19473	2.7
283.15433	47.6
289.88257	2.8
313.27377	100.0
340.10049	3.0
401.86691	2.8
446.03476	2.6
461.56311	2.7
521.38464	63.8
539.38550	12.1
540.53217	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	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01870	1.7
55.05510	1.5
57.03444	6.6
59.04990	1.8
61.02927	1.3
65.03931	1.3
67.05497	2.6
69.03439	25.9
69.03818	1.3
69.07048	0.8
69.38618	4.3
70.03738	0.6
70.06591	2.0
73.02919	1.0
75.04509	1.3
76.02221	0.7
79.05501	4.8
81.03427	6.7
81.03876	0.9
81.07060	2.5
82.03782	1.4
82.06601	0.6
83.04987	0.7
83.08648	0.9
84.08145	1.0
85.02917	17.7
86.09716	0.9
87.04480	19.8
90.59369	0.6
91.05494	75.0
92.05824	0.6
92.95561	0.6
93.07050	1.8
95.04976	4.4
95.08624	0.9
97.02297	1.3
97.02905	20.9
99.04475	0.6
102.61385	0.5
103.03953	1.7
105.04531	0.8
105.07042	1.4
107.04970	100.0
107.08572	0.9
108.05278	0.6
109.02911	1.8
109.06549	0.9
115.03945	27.9
115.04769	1.4
119.04939	1.7
119.08624	0.8
121.06518	2.1
121.10161	0.8
123.04463	2.2
125.09669	0.6
127.03929	2.6
131.04941	5.3
133.04982	37.8
133.10110	0.6
135.11711	0.7
137.06017	0.6
145.04988	3.8
145.06493	1.0
147.04427	1.2
149.06007	1.4
150.07695	0.9
161.06056	1.1
167.03470	1.0
169.04979	1.2
173.05962	3.0
177.05542	1.0
185.04456	5.0
186.04823	1.9
191.07031	4.6
193.12372	1.4
194.12820	0.6
197.04558	1.2
229.08690	6.3
235.09203	0.6
235.13280	1.4
236.13702	1.8
241.07352	0.9
254.98032	0.7
259.08221	0.7
262.73807	0.6
274.15491	0.8
277.09171	1.1
278.14789	1.3
279.11398	0.9
285.09924	0.9
295.10425	0.8
302.14734	1.2
327.13620	1.1
339.13541	1.5
367.12976	1.8
397.92374	0.6
482.85764	0.7
508.20990	1.9
540.30988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.42802	1.1
58.73212	0.9
58.88424	0.9
69.03432	1.5
69.37971	2.7
69.38390	4.9
70.06590	2.4
71.45456	0.9
81.03448	1.3
81.07040	1.0
83.19559	0.9
83.28088	1.0
84.04486	1.4
84.08138	1.7
85.02908	6.1
86.09695	1.9
91.05485	9.1
93.07063	0.9
95.04967	1.9
95.08620	1.2
97.02895	1.8
98.20723	1.7
103.05496	1.4
105.07034	1.8
107.04917	1.9
107.08570	1.4
109.06559	1.0
110.40144	1.0
116.34979	1.1
117.07011	1.1
119.04920	6.2
121.06516	2.4
127.03937	1.6
129.07024	7.5
131.04929	2.7
131.08583	4.3
133.06509	1.1
135.08017	2.7
136.05197	1.9
136.07591	1.3
137.05981	33.3
141.07018	2.5
143.04907	1.1
149.05972	5.2
151.03886	2.0
151.07549	47.4
157.06512	6.6
159.08063	3.5
161.06017	5.7
161.09583	1.5
163.07567	11.0
165.06929	1.1
165.09142	2.1
167.07306	1.1
167.08559	4.2
169.06511	2.0
174.06781	8.3
175.07539	4.4
177.09135	3.2
178.07753	1.4
186.06726	2.1
189.09125	27.2
191.10658	1.5
193.06523	1.2
193.10194	2.2
195.08035	8.6
201.09129	4.1
207.10175	3.4
209.09621	1.7
210.06705	1.1
212.08365	1.4
219.10165	63.2
221.06032	2.2
221.09589	4.0
223.07439	4.8
225.09167	3.3
227.10693	14.9
249.09088	2.3
253.08688	5.1
253.12180	7.6
255.10233	14.5
263.10968	1.1
267.10269	2.0
269.07999	1.7
272.10510	1.6
281.11719	3.0
285.08517	1.3
285.11288	9.9
287.05743	1.3
287.12772	26.0
299.12668	1.4
301.14096	1.2
313.14352	25.2
331.15417	100.0
540.30096	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	540.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98786	1.1
51.98217	1.2
53.03955	1.5
54.45595	1.0
55.01866	1.4
55.05511	16.6
57.03448	6.2
57.03667	1.2
57.07077	21.3
64.18519	1.2
65.03994	1.3
66.70067	1.0
67.05511	20.5
69.02814	1.2
69.07069	23.7
70.06599	13.3
71.04977	1.8
71.08634	14.1
71.92337	1.2
73.02909	1.8
73.04774	1.5
79.05497	9.6
81.07066	25.0
82.69607	1.4
83.04967	2.5
83.08633	15.6
85.10181	2.8
88.07635	16.2
89.06024	10.9
91.05491	5.1
93.07053	18.9
95.04953	1.3
95.08606	9.4
97.06514	5.1
97.10174	11.8
99.08106	2.5
102.09192	12.7
105.07049	2.1
107.08585	7.5
109.10144	3.2
111.08057	2.6
111.11729	2.8
115.82655	1.2
117.07045	3.0
121.10187	7.0
123.11672	1.5
124.11172	1.1
131.08588	2.6
133.08618	6.8
133.10089	2.6
144.86996	1.1
149.13283	10.9
159.11681	4.5
177.11220	3.9
195.13850	3.6
237.22202	2.7
256.26376	33.4
269.17490	25.6
273.08478	1.1
274.27557	3.2
283.26291	11.3
284.29501	11.4
311.25836	29.1
311.29507	32.0
327.20273	8.7
327.88681	1.8
330.56638	1.1
371.39450	1.2
505.38947	74.8
529.31171	1.4
540.53534	100.0
541.57385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01880	0.5
57.03436	0.7
61.02925	1.2
61.87454	0.3
69.03441	2.8
70.92362	0.4
70.92697	0.5
71.04992	0.6
73.02930	0.3
73.10488	0.3
78.50149	0.2
79.05508	0.5
81.03417	1.0
85.02908	9.6
87.04465	0.4
91.03963	0.4
97.02899	3.2
99.04478	0.4
107.04937	0.3
109.02854	0.7
111.04502	0.3
111.97163	0.2
121.02868	0.8
123.04416	0.7
127.03942	2.1
128.85625	0.2
135.10597	0.3
136.01578	0.6
137.02324	0.5
138.03149	0.4
139.03900	1.8
143.03429	0.4
145.04965	2.5
149.02342	3.6
153.05475	15.5
155.03415	0.6
167.03413	13.7
183.02884	0.8
185.04468	100.0
186.04796	0.4
195.06549	3.5
209.04472	0.6
219.02890	0.3
237.03883	0.6
265.10767	0.6
319.08142	2.2
347.07443	1.3
347.09940	0.9
379.10004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03444	1.0
61.02923	1.5
65.03940	4.8
69.03434	3.7
69.97925	1.6
70.06599	0.5
70.33137	0.4
72.65574	0.4
73.02917	0.4
79.05497	0.4
79.91955	0.4
81.03423	1.8
81.07091	0.5
85.02918	11.7
85.41222	0.4
87.04440	0.5
91.03961	0.6
91.05492	3.4
93.03416	16.5
97.02903	4.4
98.20791	0.5
99.04466	0.8
100.11265	0.8
107.04969	1.7
109.02895	1.1
110.03661	1.1
111.04456	10.1
119.04967	3.2
120.08163	0.9
121.02888	0.7
125.06007	27.8
127.03918	1.9
134.06010	0.4
135.04451	0.9
136.01494	0.4
137.05963	0.5
139.03911	1.8
143.03392	0.6
145.02863	1.1
145.04977	3.7
149.02330	2.8
151.03957	0.6
151.07570	0.7
153.05479	84.1
163.03908	1.7
167.03419	10.6
173.02359	2.3
177.05463	1.3
185.04472	100.0
186.75313	0.4
191.03378	0.7
193.04897	0.8
195.06554	65.3
201.01891	0.6
201.61906	0.4
209.04457	0.8
211.06094	2.3
219.02872	4.8
219.84926	0.4
219.86954	0.5
220.10402	0.5
237.03964	10.9
255.05051	6.8
266.82352	0.4
296.60657	0.4
347.10034	3.1
361.09073	1.1
540.44897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2282
Annotation	Erizomycin
Peak:m/z	Relative Intensity
53.03746	0.7
53.03947	7.4
55.01865	3.6
55.05264	1.0
55.05509	9.4
57.03435	5.2
57.07059	2.8
61.48338	0.7
65.03926	2.3
67.05508	62.1
67.51677	0.7
69.03432	9.7
69.07074	19.8
70.08392	0.7
70.43195	2.8
71.01334	1.1
71.04993	5.3
71.08624	1.0
73.02924	1.4
73.74573	0.6
78.77928	0.8
79.05495	34.4
81.03423	35.6
81.07059	78.7
83.04976	7.8
83.08626	12.3
85.02910	5.8
85.06564	4.3
88.35920	0.7
91.05490	21.1
93.07047	59.0
95.04980	4.7
95.08608	20.6
97.02896	16.5
97.06537	11.4
97.10171	1.4
99.04453	6.5
99.08092	4.3
105.04514	1.1
105.07026	8.1
107.04955	1.5
107.07876	1.5
107.08603	29.4
108.36651	0.7
109.02882	40.9
109.06525	2.6
109.10137	3.4
111.04439	2.0
111.08093	8.6
113.05995	0.8
113.09690	1.0
116.57928	0.8
117.07016	12.2
119.08606	3.6
121.02859	1.8
121.06518	1.9
121.10144	16.3
123.11709	1.9
125.09633	1.8
127.03919	51.7
128.06206	0.7
128.81421	0.7
129.07011	1.6
131.08583	12.3
133.10139	10.8
135.08052	2.0
135.11699	14.3
139.03886	2.1
139.07536	0.9
139.11147	1.5
143.08559	1.3
145.04942	3.3
145.10066	0.8
147.11670	3.5
149.02333	3.5
149.09517	1.6
149.13264	62.7
151.11183	1.1
153.09187	1.0
155.03412	2.1
157.10097	1.6
159.10468	1.6
159.11711	26.6
165.12726	2.2
167.03419	10.9
167.14290	1.0
177.12766	18.5
179.03387	1.6
179.14391	1.0
181.05008	0.9
185.04465	42.7
195.13817	100.0
205.04753	0.9
209.04480	1.7
213.14865	15.3
223.05956	1.6
227.05475	1.6
230.99620	0.8
251.05629	1.9
255.15907	1.2
267.15924	4.3
275.05630	1.8
275.20035	1.3
291.15881	2.0
303.15817	2.0
319.15433	6.8
321.17004	6.2
339.18024	30.0
357.19125	2.5
361.16455	2.2
427.17459	1.2
541.35406	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	541.2282
Annotation	Tinosposinenside C
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	2.3
55.05513	4.1
56.65509	0.7
57.03433	2.7
61.02917	3.6
67.01865	1.7
67.05508	9.8
69.03432	13.2
69.07072	1.6
71.04989	2.0
73.02931	1.3
79.05482	6.2
80.66028	0.7
81.03416	6.9
81.07059	8.5
83.05001	1.0
83.08634	2.0
85.02910	24.2
87.04462	1.3
89.54758	0.8
91.03938	1.7
91.05468	4.8
93.07055	6.7
95.04964	2.6
95.08604	3.2
95.82053	0.8
97.02892	8.1
97.06525	1.7
99.04458	1.9
103.05494	0.9
105.07042	3.3
107.04947	2.7
107.08614	3.9
109.02889	3.4
109.10166	1.7
114.65688	0.7
117.07032	1.7
119.08584	1.1
121.06490	1.4
121.10122	2.7
123.04449	3.4
125.09654	1.3
127.03910	5.7
129.07013	1.0
131.04927	1.3
131.08557	2.1
133.10147	3.6
135.04413	1.4
135.11693	2.8
139.03883	2.8
143.03406	1.9
143.08588	1.4
145.04950	3.0
145.10133	1.8
147.04465	1.3
149.05995	1.4
149.13272	1.7
151.03917	7.6
153.05424	1.5
155.03398	27.1
157.06544	0.9
159.04448	2.0
159.11713	1.6
161.06059	1.2
163.03889	6.2
163.11220	2.3
167.03395	1.7
169.01390	1.5
169.04988	10.7
173.13289	1.2
177.05504	5.0
177.12773	2.8
179.03400	36.0
181.04964	10.8
183.02911	1.1
184.07388	1.0
185.04462	2.2
187.03940	3.0
189.05460	2.9
193.05013	1.9
195.02959	0.9
195.06517	1.6
195.13824	1.3
197.04462	43.1
201.05435	1.0
203.03406	7.5
203.07082	1.0
205.04956	8.4
207.06575	1.9
209.04489	1.0
213.05528	1.0
215.07162	0.9
219.06660	1.3
221.04472	27.9
223.06018	9.5
231.06523	1.9
245.07916	0.8
301.14346	11.9
319.15405	100.0
325.14319	2.3
337.16501	9.8
343.15393	14.3
361.16458	54.2
379.17505	62.3
443.27905	3.5
541.35590	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	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.05517	11.4
57.03428	3.3
57.07080	4.8
59.04997	2.8
61.02918	3.8
67.05512	26.3
69.03419	5.6
69.07076	30.2
70.06596	11.8
70.85482	4.8
71.05000	7.6
71.20631	1.9
72.08177	2.5
76.02215	3.2
79.05496	16.6
81.03413	3.2
81.07065	100.0
83.04967	2.9
83.08618	9.4
83.19817	2.4
84.04509	4.1
84.08125	3.8
85.02892	8.6
85.06562	11.8
86.09716	5.2
91.05496	9.6
91.09538	2.5
93.07051	34.3
95.04939	3.9
95.08616	63.6
97.02869	3.7
97.06518	9.2
97.10164	5.7
99.08084	5.7
105.07032	11.5
105.47545	1.9
107.08616	31.5
109.09466	3.3
109.10155	33.3
111.08085	15.1
111.11712	5.3
119.08565	8.2
120.08086	2.9
121.10144	20.6
123.08076	2.7
123.11716	60.8
125.05977	2.7
125.09654	6.6
127.07573	2.5
127.11231	2.8
131.08551	3.4
133.10135	9.2
135.11693	16.5
136.06126	2.3
137.05954	2.6
137.13252	22.2
139.11182	5.7
143.10695	2.2
145.10103	3.4
147.11681	8.0
149.13258	25.0
151.11163	8.8
153.12737	7.3
155.14282	3.8
159.11682	4.1
161.13313	5.6
163.14828	6.4
165.12811	4.9
167.14326	2.7
169.12259	3.0
171.13837	6.9
173.13304	2.7
175.14861	2.8
177.05438	3.4
177.16432	3.6
187.13272	12.4
189.14870	2.9
189.16438	3.7
191.17824	2.2
215.17905	3.8
219.09940	2.3
219.20915	2.4
233.19038	2.4
251.20047	7.4
271.24347	4.9
277.25253	8.6
289.25293	22.8
295.26306	7.0
307.26324	54.4
313.27399	3.1
325.23709	6.8
325.27390	26.7
331.28555	4.1
331.91644	2.0
343.28476	4.9
361.02509	2.6
361.29556	9.2
403.38098	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	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87941	1.6
53.03925	2.1
55.01855	1.8
55.05513	11.7
56.05029	3.9
57.03422	1.7
57.07065	5.7
59.04991	2.8
59.64457	2.1
65.03930	2.2
67.05507	23.7
69.03415	5.4
69.07070	33.5
70.06586	7.7
71.04980	5.4
71.08618	2.5
71.35015	1.4
71.52886	1.8
72.08154	3.6
79.05496	11.8
81.07059	100.0
83.08625	8.6
84.04507	3.8
84.08138	5.7
85.02892	7.6
85.06540	10.0
86.09711	5.8
91.05485	8.0
93.07053	29.3
95.04958	3.6
95.08611	62.4
97.02882	3.1
97.06530	6.7
97.10164	5.7
99.08074	3.7
100.11224	1.8
104.05324	7.3
105.07021	11.7
107.08601	33.2
109.06517	2.4
109.10156	41.1
111.08096	15.9
111.11696	5.4
116.01656	2.3
119.08582	7.1
120.08121	5.4
121.10161	22.8
123.08090	2.5
123.11713	52.6
125.09618	5.8
125.13219	2.1
127.03972	2.0
127.11176	2.0
129.10240	4.4
131.08562	1.6
133.10118	6.5
135.11725	14.2
137.13260	21.3
139.11198	4.3
141.12730	4.4
145.10123	3.2
147.04433	6.1
147.11647	8.0
149.13268	20.6
151.11217	9.7
153.12764	7.8
155.14305	4.9
159.11734	2.7
161.13213	3.3
163.14819	6.7
165.12740	5.3
165.16327	1.9
167.07050	1.7
169.12234	4.8
171.13837	7.9
173.13290	1.8
175.14915	2.7
177.16452	3.3
183.13707	1.8
185.04454	4.1
185.06056	1.6
187.13329	9.1
189.16353	3.1
215.18063	3.2
233.19225	1.9
256.41623	1.6
256.93661	1.7
269.21027	1.7
271.24188	7.0
277.25314	8.4
289.25238	30.1
295.26288	7.8
307.26318	65.1
325.27444	19.0
343.28400	2.7
345.49646	1.8
361.29492	3.3
541.22620	22.5
541.30176	3.3
541.41406	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	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01867	0.8
55.05524	0.5
57.03437	1.5
61.02916	1.9
63.22697	0.5
69.03434	5.2
70.06573	1.6
70.10725	1.8
79.05509	0.9
81.03412	1.9
81.07066	4.6
83.01360	0.6
85.02909	14.1
86.09690	1.1
87.04465	1.0
91.03970	0.8
91.05495	0.8
95.05003	0.6
97.02895	4.8
99.04474	0.5
107.04897	0.5
109.02864	1.1
116.07087	1.9
120.08253	0.5
121.10054	0.6
123.04412	1.4
127.03915	2.6
135.04471	0.7
145.04971	2.6
147.18771	0.6
149.05981	0.8
151.03874	2.6
155.03471	0.7
163.03889	3.0
169.04955	6.2
169.81081	0.5
174.97202	0.5
177.05453	1.0
179.03413	8.1
181.04980	9.0
183.02931	0.9
185.04456	1.1
187.03951	0.9
187.07489	0.6
195.06454	0.7
197.04469	36.2
205.03065	0.6
205.04871	2.5
205.08571	1.9
209.04420	2.6
209.08067	0.9
211.05940	0.8
219.10201	0.9
223.06065	5.4
223.09653	1.1
229.08481	1.0
247.09631	2.9
265.10724	100.0
266.11075	0.7
278.39304	0.6
296.88843	0.5
427.16135	4.3
517.56860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84735	0.5
51.03045	0.5
57.99884	0.5
63.16034	0.5
70.06574	0.5
71.51315	0.6
71.51679	0.7
79.05480	1.2
80.95882	0.5
84.04487	0.6
84.08145	0.8
85.02915	0.8
91.05490	1.4
93.07050	1.1
97.02891	1.1
97.12788	0.5
97.60507	0.5
97.88789	0.5
103.05473	6.5
107.04952	1.9
119.04933	1.2
120.08115	100.0
131.04913	2.9
135.04449	0.7
136.06206	7.7
137.05972	1.2
147.04430	1.8
149.06021	1.5
152.05705	2.7
154.06245	0.5
154.11505	0.5
166.08652	57.5
167.07071	1.1
167.09122	0.6
176.76370	0.5
179.07048	2.4
196.13414	0.7
227.01936	0.6
238.90883	0.6
244.08456	0.8
302.10724	0.6
419.60330	0.5
428.03665	1.8
441.77090	0.5
454.43280	0.5
542.22632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.05509	1.7
56.96569	0.9
57.03432	2.4
61.02923	3.2
67.01859	0.9
67.05515	2.4
69.03437	10.8
69.07068	1.8
70.06595	0.8
70.83363	0.7
70.83703	1.1
71.04989	1.7
72.08186	0.8
72.99728	0.7
73.02924	2.2
79.05499	2.7
80.43960	0.6
81.03403	3.6
81.07054	5.7
83.01345	1.2
83.04965	1.0
84.04498	0.9
84.08147	2.0
85.02914	17.3
86.09716	2.1
87.04479	1.4
91.03955	1.2
91.05478	4.1
92.05801	1.7
93.07051	2.8
95.04984	1.9
95.08616	3.3
97.02899	8.3
98.06147	0.8
98.09695	1.0
99.04472	1.3
105.07025	1.5
107.04990	1.0
107.08604	2.5
109.02902	1.8
109.10166	1.1
114.09173	2.4
115.03934	1.8
117.03443	0.7
119.08614	1.3
121.10140	0.9
123.04455	3.1
123.11747	0.9
126.12796	9.4
127.03923	4.5
131.06009	0.6
131.08553	0.8
133.02792	0.7
133.04968	1.6
133.10164	0.9
135.11726	1.6
137.13243	0.7
139.03911	1.0
140.04140	0.8
145.02855	1.5
145.05014	2.4
147.04393	1.1
149.13310	1.9
151.03932	5.3
152.14330	1.7
155.03407	5.7
155.04530	0.9
156.03741	0.9
159.09302	0.6
161.13287	1.7
163.03938	2.1
166.05087	0.8
166.15923	3.8
167.14337	0.8
169.04982	9.4
177.05482	3.5
178.15916	0.8
179.03423	17.2
180.03737	3.8
181.05017	2.5
182.05478	0.8
185.04512	1.2
187.03781	0.8
189.05504	1.4
194.11732	1.0
196.16982	1.1
197.04471	67.1
198.04842	3.8
203.03477	1.5
204.03769	0.9
205.04936	1.5
209.04547	1.8
211.06081	2.1
212.05635	1.6
221.04456	6.7
222.04770	3.7
223.06070	2.2
247.09773	0.7
249.07730	1.5
265.10709	11.9
267.09216	1.0
274.70511	0.6
276.20544	0.6
291.12445	2.1
302.14828	1.3
303.12589	0.9
319.15460	4.3
320.15836	7.8
327.16068	0.9
336.18250	2.2
338.19867	4.0
343.15573	0.8
344.15680	1.6
345.16974	7.0
361.16119	0.8
362.16403	4.4
363.11905	1.2
379.17563	1.5
380.20905	44.0
524.19867	0.9
542.26062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95464	0.8
70.95798	0.6
79.09335	0.5
83.73104	0.5
174.24007	0.5
351.11288	1.1
363.07333	0.6
381.07974	12.2
398.32996	0.6
543.13263	100.0
544.13544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21924	0.9
66.82108	0.9
69.80519	3.1
69.80927	1.5
70.29817	0.8
76.00075	0.8
80.21258	1.0
94.92977	1.2
102.96149	0.8
131.27361	0.8
139.13092	1.0
145.64525	0.9
221.36368	0.8
340.79279	0.9
363.07077	1.5
381.07956	12.2
510.25845	0.8
543.13306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01864	1.4
55.05274	0.5
55.05513	7.5
55.38001	0.5
57.03426	1.7
57.07047	0.6
63.22763	0.5
65.03938	1.2
67.05508	15.2
69.03432	7.2
69.07073	5.5
71.04993	5.3
73.02901	0.5
79.05498	10.7
81.02940	0.5
81.03421	15.2
81.07060	25.1
83.04993	3.9
83.08620	5.1
85.02908	6.5
85.06546	3.6
91.05486	12.2
91.10066	0.4
93.07049	11.1
95.04983	2.8
95.08613	27.0
97.02898	6.1
97.06543	5.1
97.10152	1.8
98.50121	0.5
99.04447	2.4
99.08111	2.8
105.07032	11.0
107.04954	1.3
107.08600	4.6
109.02883	8.4
109.06505	2.1
109.10165	3.0
111.04450	1.8
111.08068	1.5
113.09641	1.4
117.07007	2.7
118.46879	0.6
119.08593	12.2
121.02885	2.4
121.06499	1.6
121.10148	4.0
123.08061	2.2
125.02374	0.5
125.09620	1.0
126.81222	0.5
127.03920	11.6
128.06219	0.7
129.06996	0.8
130.07764	0.6
131.08572	2.2
133.06482	1.1
133.10133	8.0
135.08035	1.0
135.11722	3.9
136.01584	0.8
137.09625	1.5
137.13268	2.2
139.03928	2.5
139.07497	0.8
143.03387	0.8
143.08563	1.0
145.04944	1.8
145.06541	0.7
145.10147	1.1
147.08055	0.9
147.11726	0.7
149.02371	4.3
149.05969	0.6
149.13251	1.2
151.07596	3.0
155.08675	0.5
157.10121	1.0
159.11705	1.5
161.13274	16.1
167.03418	16.3
169.10040	0.6
173.11792	0.9
173.13336	0.8
177.12778	1.1
179.14328	13.6
185.04465	100.0
185.13304	0.8
189.09140	0.7
189.13019	0.5
191.14232	0.6
195.13719	0.6
197.04445	0.6
197.15405	3.2
207.13756	1.0
209.04424	0.9
209.15358	1.1
215.14383	0.6
216.26483	0.6
219.13858	0.7
221.15405	0.8
225.14839	0.9
225.85329	0.6
227.05566	1.4
229.14554	0.6
229.50964	0.6
237.14879	2.0
239.16451	1.1
249.14900	0.6
251.05473	1.0
251.16422	0.6
263.16360	0.9
275.05527	0.5
275.16290	0.7
277.18161	0.6
281.17255	0.5
287.16458	3.5
305.17490	8.2
323.18515	12.0
341.19589	5.1
543.28821	1.0
543.36395	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13263	0.7
53.03946	2.4
54.83632	0.9
55.01874	1.1
55.05513	8.8
55.43658	0.8
57.03444	2.6
57.07061	1.2
65.03953	1.3
65.28893	0.8
67.05511	17.7
69.03434	13.8
69.07072	10.2
70.06586	0.9
71.04991	4.2
73.02491	0.8
76.94883	0.9
79.05502	10.5
81.03422	3.2
81.07063	36.7
82.69418	0.8
83.04984	2.4
83.08624	7.9
85.02907	10.7
85.06553	5.6
91.05489	13.8
93.07050	13.0
95.04983	1.7
95.08613	40.0
97.02892	7.7
97.06535	8.5
97.10188	3.9
98.20646	1.8
99.04448	1.6
99.08105	5.1
105.07037	17.5
107.04963	1.3
107.08591	6.6
109.02853	1.8
109.06493	2.3
109.10162	3.9
111.04430	1.1
111.08077	1.2
112.37595	0.7
113.09644	2.1
115.07588	1.1
119.08589	19.1
121.02888	3.0
121.10152	6.1
123.08082	3.3
127.03926	10.5
129.05490	1.0
131.08588	1.0
133.10130	14.3
135.11705	7.0
137.09616	3.1
137.13272	6.4
139.03929	2.9
143.03442	1.3
145.04973	4.5
149.02362	6.1
149.09601	1.2
159.11653	1.4
161.13263	39.0
167.03410	18.6
169.34718	1.0
179.14325	36.9
184.07373	1.1
185.04465	100.0
197.15366	16.1
209.04526	2.3
221.15445	1.3
229.81679	1.2
240.85294	0.9
245.15384	1.1
263.16357	0.9
271.01712	0.8
272.33984	1.1
283.55713	0.9
287.16541	1.9
305.17511	2.4
323.18637	2.6
341.19592	6.4
359.20663	1.2
543.28333	0.9
543.36255	2.6
558.29486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
53.03947	5.9
54.55175	0.7
55.01869	4.5
55.05513	16.9
57.03434	2.6
57.07075	2.6
63.76818	0.7
65.03938	2.8
67.05511	48.8
69.03428	1.5
69.07075	15.5
71.04993	3.7
73.02920	1.4
77.03939	1.7
79.05500	54.4
81.03432	3.5
81.07063	50.3
83.05000	4.7
83.08628	8.3
85.06567	2.4
85.70502	0.8
91.05490	34.8
93.07055	65.3
95.01340	1.3
95.04984	8.5
95.08617	42.9
97.02902	2.9
97.06559	5.5
97.10175	2.4
98.20691	1.2
99.04469	2.5
99.08100	1.0
101.05949	0.8
103.05485	0.9
105.04525	2.4
105.07044	30.0
107.04964	8.8
107.08604	39.2
109.06541	4.1
109.10160	9.6
111.04495	1.1
111.08109	2.3
113.05999	1.1
115.05452	1.2
115.07607	0.9
117.07029	15.6
119.08589	21.8
121.06522	6.2
121.10152	23.9
123.08112	1.7
123.11717	2.3
125.06017	2.8
125.09602	1.7
128.06233	1.0
129.07027	2.6
130.07762	1.1
131.08594	13.1
133.10144	18.2
133.11108	1.5
135.08105	2.7
135.11703	40.3
137.09628	1.3
139.07607	1.3
143.08591	3.2
145.06517	1.4
145.10143	26.3
147.08057	1.5
147.11705	8.7
149.09613	4.0
149.13295	5.7
151.11235	1.4
155.08546	1.3
157.10190	2.9
159.11725	7.4
161.13293	2.5
163.11200	43.0
163.14864	1.5
169.10117	1.2
171.11761	2.0
173.09636	1.6
173.13249	4.3
177.12830	1.7
178.18910	0.9
179.14348	1.4
181.12273	10.5
183.11720	2.0
187.11211	1.3
187.14876	1.9
191.10707	1.5
194.64455	0.8
195.11749	1.0
197.13200	0.9
209.11745	3.2
227.12804	77.7
239.17944	1.1
243.21049	2.3
257.19086	2.7
261.22079	4.8
275.20074	21.9
283.15390	2.0
317.24829	1.6
433.31247	1.2
451.32422	1.8
469.32889	1.3
507.34204	1.3
525.36102	3.8
543.36865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
52.90977	0.7
53.03939	4.3
55.01877	4.7
55.05268	1.2
55.05515	15.9
57.03435	3.4
57.07079	1.9
59.04134	0.7
65.03938	2.4
66.22440	0.8
67.05510	43.6
69.03423	2.1
69.07079	13.2
70.92070	1.7
71.05000	3.8
73.02950	1.0
74.27390	0.7
77.03897	1.1
79.05498	47.6
81.03426	2.7
81.07063	44.2
83.04974	4.4
83.08620	9.9
91.04910	0.9
91.05489	30.8
93.07053	59.6
95.04979	8.6
95.08614	39.3
97.02885	2.7
97.06549	6.0
97.10181	2.3
99.04466	2.8
103.05464	1.0
105.04514	1.4
105.07037	22.3
107.04974	8.3
107.08604	36.6
109.06526	2.8
109.10157	8.5
111.04453	1.0
111.08115	3.2
111.11715	0.9
115.05432	1.2
117.07023	15.0
119.08590	19.4
121.06491	4.5
121.10153	22.1
123.08070	1.2
123.11706	1.9
125.06007	1.6
125.09644	1.5
129.07019	3.0
130.07780	1.2
131.08571	12.9
133.06529	1.2
133.10147	13.5
135.08061	2.2
135.11700	40.8
137.09598	1.1
139.06512	0.8
139.07559	2.0
139.11206	0.9
143.08568	2.7
145.10130	26.6
147.08174	0.9
147.11688	7.2
149.09691	1.6
149.13261	5.2
153.12772	0.9
157.10175	1.8
159.11729	6.1
161.13310	3.2
163.11186	43.2
163.14819	1.2
169.10075	1.3
171.11732	1.6
173.09702	1.0
173.13239	4.3
175.14825	1.0
177.12775	1.1
179.14351	0.9
181.10670	1.2
181.12215	9.3
185.13251	1.2
187.14803	1.4
209.11768	2.4
227.12801	88.0
243.21100	2.0
257.18970	2.1
261.22217	5.1
275.20084	13.2
283.15387	0.9
297.22305	0.9
299.23746	1.1
317.24854	1.8
362.45850	0.8
433.31335	0.9
451.32236	1.6
469.32986	1.6
525.35822	4.5
543.36853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06646	0.4
51.55169	0.5
53.03944	0.7
55.01857	1.4
55.05506	0.7
57.02427	0.6
57.03432	1.3
59.04972	0.5
60.70435	0.5
61.02929	2.6
66.33185	0.6
67.01871	1.0
67.05502	1.3
68.78999	0.5
69.03440	6.3
69.63670	2.7
70.06591	0.8
71.04966	1.0
73.02914	0.8
81.02979	0.5
81.03400	2.7
81.07055	1.5
83.01337	0.9
85.02911	16.2
86.09674	0.6
87.04490	1.0
91.03947	1.3
91.05487	1.3
93.07017	0.6
95.04945	1.6
95.08585	0.6
97.02905	5.7
99.04466	1.3
105.03376	0.6
105.06976	0.6
107.08598	0.9
109.02878	1.6
116.07093	1.4
123.04442	3.7
127.03937	2.8
133.10132	0.7
145.04962	3.1
147.04375	0.5
151.03935	6.3
159.85390	0.6
169.04988	15.0
177.05536	0.5
179.03415	18.9
179.04811	1.1
185.04439	1.7
186.04883	0.5
197.04466	100.0
267.12296	77.7
359.09760	0.6
429.17642	13.1
449.23444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01888	0.6
55.05510	0.5
57.03426	0.8
59.14698	0.4
61.02934	0.9
65.03944	0.5
69.03432	20.1
69.66748	2.9
79.05479	1.1
81.03421	1.6
81.07053	0.7
85.02905	6.3
89.03903	1.1
91.05531	0.6
92.12188	0.4
93.03417	0.7
95.01365	0.4
97.02901	6.1
99.04462	2.9
107.04962	2.5
109.02888	1.4
109.10087	0.5
117.03410	0.5
121.02863	1.6
122.83257	0.4
125.01550	17.4
127.03922	20.1
135.03429	0.6
135.04427	7.5
136.01535	0.4
136.05197	4.6
139.03908	4.0
141.55988	0.5
143.03467	0.9
145.02853	0.7
145.04956	5.4
147.04440	1.1
149.02319	4.4
151.03896	0.8
153.01021	15.3
153.02283	0.8
163.03903	2.9
167.03407	14.2
169.04971	0.6
171.02083	100.0
177.05505	1.7
179.03392	1.2
181.04944	1.7
182.05356	0.7
185.04459	75.1
191.03355	0.6
192.61586	0.4
195.47383	0.4
197.04471	5.2
198.04758	1.4
205.05048	0.5
209.04460	2.8
217.02596	0.8
221.04414	0.6
247.09534	0.6
265.10712	8.7
266.11057	5.3
343.05826	1.6
361.06726	2.9
545.33240	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	545.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06206	4.7
53.03944	7.4
55.01867	14.6
55.05521	41.9
57.03429	17.4
61.02925	18.6
67.05505	48.3
69.03432	24.4
69.07063	31.7
71.04975	8.1
71.53050	5.9
79.05492	42.1
81.03417	59.9
81.07053	45.8
83.04976	14.1
83.08629	30.8
85.02907	31.8
88.64263	4.9
91.03981	8.4
91.05491	41.7
93.07043	29.3
95.04979	33.2
95.08607	25.2
97.02908	29.5
97.06518	10.0
97.10178	19.9
105.07035	19.8
107.04948	10.5
107.08612	24.4
109.02882	6.7
109.06490	9.2
109.10169	12.0
111.04447	9.1
111.08103	10.3
117.07020	9.7
119.08569	26.5
121.06504	6.8
121.10152	16.6
123.04424	5.5
123.08065	15.6
125.09641	18.2
127.03878	5.1
129.06995	8.2
131.08560	17.7
133.06503	9.7
133.10127	12.4
135.08032	7.6
137.55206	4.7
143.08586	6.7
145.10114	10.0
147.08040	14.5
147.11707	11.9
149.09641	7.1
157.10146	11.2
159.11702	8.2
160.99979	5.1
161.09589	5.8
162.84076	5.1
163.11180	10.8
165.09172	5.1
175.11322	9.0
189.11191	16.4
193.12288	47.9
211.13295	35.3
223.13390	7.3
227.12766	9.4
267.15872	22.2
273.18555	24.7
285.16968	63.9
291.19577	100.0
347.22198	7.9
365.23239	86.5
383.24323	12.1
429.20956	6.2
527.28851	13.9
545.30255	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
54.21219	1.2
54.22887	1.1
55.01874	5.1
55.05266	2.1
55.05519	27.6
57.03452	9.6
57.07076	4.3
65.03950	3.6
67.05514	60.8
69.03423	4.2
69.06783	1.2
69.07079	14.7
69.55936	6.4
71.05001	3.1
72.32524	1.1
77.03915	1.8
79.05503	35.3
81.03431	28.6
81.07068	56.8
83.04990	5.4
83.08633	16.7
85.02892	2.4
85.06562	3.4
91.05495	31.2
92.78085	1.1
93.07058	36.3
93.07642	1.9
95.04985	15.4
95.08617	37.3
95.27480	1.1
97.06547	5.9
97.10183	15.4
99.08138	2.1
105.07046	31.3
107.04990	6.0
107.08608	26.7
109.06542	3.6
109.10168	27.4
109.19598	1.1
111.08109	4.3
115.05485	1.5
116.15826	1.1
117.07042	12.1
119.08596	27.9
121.06523	7.4
121.10160	18.6
123.08081	4.5
123.11705	7.5
125.09663	12.9
128.06277	1.8
129.07045	7.6
131.08583	23.7
133.06525	2.8
133.10115	15.6
133.10971	1.5
135.08096	5.3
135.11716	14.0
137.09677	2.1
137.13287	3.3
139.11177	1.1
141.07027	2.1
142.07782	1.4
143.08580	7.4
145.06528	1.4
145.10158	15.5
147.08070	4.6
147.11703	12.6
149.09662	4.4
149.13309	6.4
151.11143	1.4
153.09204	1.7
155.08519	2.4
157.10138	7.8
159.08130	1.7
159.11705	11.3
161.09703	1.7
161.13237	7.6
163.11223	4.8
163.14862	2.1
169.10135	4.1
171.10211	2.4
171.11716	6.7
173.13264	9.5
175.11203	4.0
175.14899	3.3
177.12810	2.2
181.10237	1.4
183.11732	4.1
185.13298	3.8
187.13303	1.3
187.14847	4.5
189.11194	7.0
189.12712	1.5
189.16383	1.8
193.12256	9.3
197.13322	2.1
199.14888	3.3
201.16490	1.4
203.14467	2.0
205.12155	1.5
205.16057	1.5
209.13353	1.4
211.13217	2.9
227.12756	10.6
233.15411	2.6
243.21107	2.4
247.16978	3.5
261.22189	13.7
267.15930	23.4
267.18604	1.7
277.21530	1.6
279.23425	1.7
283.24380	1.6
285.22159	1.6
299.23679	3.2
301.25293	14.9
317.24777	2.1
335.25848	17.5
343.22867	1.9
359.25656	2.2
417.31601	2.2
421.25839	1.5
435.27612	2.8
435.32709	5.3
444.63626	1.4
453.33572	13.4
471.34839	9.5
509.36154	3.4
527.37402	58.6
528.37640	1.6
545.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.50457	1.0
55.01867	3.2
55.05269	1.9
55.05515	23.7
56.59613	1.0
57.03436	6.7
57.07079	2.4
65.03928	1.9
67.05511	49.5
69.03430	3.2
69.07079	14.4
69.27599	5.9
69.28030	3.4
71.04986	2.5
79.05500	30.9
81.02988	1.9
81.03429	22.3
81.07064	48.0
83.04980	4.6
83.08622	17.0
85.06543	1.5
91.05489	27.5
93.07050	28.5
95.04981	15.1
95.08619	27.6
97.06540	4.5
97.10175	14.9
102.83047	1.5
103.05476	1.2
104.51870	1.0
105.07044	24.0
107.04908	5.2
107.08602	22.9
109.06515	4.3
109.10167	23.1
111.08075	3.2
115.05403	1.4
117.07021	11.0
119.08587	21.1
121.06504	5.1
121.10148	14.5
123.08123	2.8
123.11723	7.6
125.09645	13.8
129.07024	7.1
131.08572	20.8
133.10135	17.2
135.08066	4.8
135.11716	9.4
136.06905	1.1
137.06020	1.3
137.09633	1.5
137.13266	1.8
139.11252	1.4
141.06964	1.4
143.08578	7.4
145.10135	12.2
146.98183	2.0
147.08112	2.6
147.11710	10.2
149.09633	3.4
149.13293	5.1
151.11259	1.6
155.08580	2.7
157.10135	9.8
159.11714	12.6
161.09674	1.8
161.13249	5.8
163.11179	2.9
163.14874	2.1
165.12762	1.5
169.10136	3.4
171.10295	2.1
171.11703	4.7
173.09763	1.4
173.13297	8.1
175.11272	2.3
175.14890	3.8
181.10078	2.0
183.11681	3.1
185.13327	4.0
187.13390	1.3
187.14841	5.6
189.11230	7.2
193.12253	6.6
197.13280	1.9
199.14900	4.1
201.12679	1.0
201.16420	1.9
207.11719	1.5
211.13319	1.7
213.16438	1.7
217.15970	1.4
219.13939	1.2
227.12807	10.5
233.15363	2.4
243.15842	1.7
243.21167	2.4
247.16801	2.4
249.14847	2.0
249.18770	1.3
261.22198	7.2
267.15939	25.1
273.22238	2.2
279.19553	1.3
279.23227	2.2
283.24313	1.3
285.22287	3.4
287.20032	2.2
295.22742	1.3
299.23752	1.8
301.21835	2.5
301.25217	14.9
303.23343	1.5
309.20859	1.3
309.68878	1.2
317.24850	2.3
327.23364	2.2
332.30426	1.1
333.24463	1.3
335.25858	16.1
359.25769	2.7
403.24899	1.5
407.96512	1.3
417.31488	2.3
421.25845	4.0
423.26709	1.3
435.27319	3.5
435.32773	8.5
449.29108	1.3
453.33713	9.7
471.34885	7.0
486.26450	1.8
509.36215	2.9
527.37354	48.9
545.38458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01865	4.9
55.05271	2.0
55.05515	28.3
57.03432	7.7
57.07069	2.6
61.21988	1.2
62.68504	1.1
63.96409	1.3
65.03941	1.2
66.16090	1.0
67.05509	55.9
69.03419	2.1
69.07063	13.7
69.18110	2.6
69.18441	12.0
71.04991	2.4
73.65396	1.1
79.05067	2.2
79.05500	33.0
81.03424	24.0
81.06586	2.6
81.07063	47.4
83.04980	5.7
83.08625	17.7
85.06520	3.2
90.71262	1.1
91.05489	28.2
92.25292	1.2
93.07050	33.1
95.04982	17.2
95.08616	37.0
97.06530	4.7
97.10184	16.4
99.08095	1.8
103.05458	1.7
104.20792	1.2
105.07042	25.7
107.04959	7.8
107.08607	25.2
109.06533	4.6
109.10162	22.4
111.08092	4.9
115.05470	1.5
117.07021	12.4
119.08595	19.4
121.06531	7.8
121.10163	15.4
123.08083	3.8
123.11718	8.1
125.09638	12.5
128.06285	1.8
129.07027	8.9
131.08571	23.1
133.06549	2.7
133.10155	17.3
135.08057	5.8
135.11664	9.2
137.09639	3.2
137.13274	1.6
141.06993	2.1
142.07787	3.5
143.08582	5.5
145.10124	15.7
147.08081	2.5
147.11707	11.2
149.09608	2.5
149.13287	5.1
151.11165	1.6
153.09140	1.6
155.08560	3.2
157.10106	6.9
159.08099	1.8
159.11705	11.3
160.06046	1.2
161.09599	1.8
161.13321	7.0
163.11229	2.2
163.14871	2.0
169.10150	2.5
171.10287	1.9
171.11707	5.3
173.13237	8.3
175.11253	2.7
175.14861	5.2
177.16528	1.2
183.11743	2.3
185.13258	5.0
187.11325	1.2
187.14885	5.6
189.11232	8.6
189.12686	1.3
189.16432	1.3
193.12210	9.2
195.11638	2.0
197.13257	2.9
199.11266	1.3
199.14861	3.0
201.16418	1.9
207.11734	1.7
211.14958	1.5
213.16492	1.6
225.16447	1.5
227.12796	14.7
233.15567	1.3
241.17891	1.7
243.15912	1.6
243.21080	3.4
247.16954	2.1
249.14737	1.5
261.18518	1.5
261.19586	1.9
261.22122	11.9
267.15906	23.0
275.16278	1.4
275.19986	1.8
279.23227	2.1
283.24258	2.0
285.22089	3.2
287.20053	2.4
293.20895	1.8
299.23666	2.3
301.25220	14.7
303.23422	1.3
317.24887	3.1
329.20956	2.0
335.25833	18.3
359.25845	1.9
366.74915	1.2
403.24878	2.2
417.31812	1.6
421.26059	3.9
425.34320	1.5
435.27237	3.4
435.32803	6.1
453.33698	11.2
471.34766	9.2
509.36136	4.0
527.29077	2.2
527.37317	61.9
545.38403	100.0
573.24707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01875	3.7
55.05519	26.0
57.03441	6.9
57.07076	2.6
62.26320	0.9
65.03957	1.9
66.11007	1.1
67.05511	49.7
69.03418	2.5
69.07073	14.4
69.85447	2.2
69.85839	2.3
71.04989	2.8
73.06573	1.2
79.05502	29.4
79.67135	0.9
81.03424	22.7
81.07064	46.7
83.04966	4.9
83.08629	14.4
85.06555	1.7
91.05491	26.6
93.07051	30.3
95.04980	16.7
95.08003	1.7
95.08614	32.2
97.06538	4.7
97.10176	15.4
105.07043	26.7
107.04964	5.6
107.08607	22.8
109.06543	4.2
109.10167	19.3
111.08116	4.1
115.05419	1.1
117.07022	12.2
119.08604	21.4
121.06538	5.7
121.10168	13.9
123.08079	4.1
123.11754	5.0
125.09625	9.6
128.06255	1.1
129.07010	8.4
131.08583	16.3
131.09532	1.5
133.06534	2.4
133.10143	14.4
135.08112	5.3
135.11714	10.7
137.09633	3.1
141.07030	2.6
142.07808	2.0
143.08571	5.5
145.06487	1.5
145.10133	13.8
146.98206	1.8
147.08075	2.6
147.11711	12.0
149.09666	3.2
149.13277	5.0
151.11205	1.9
155.08554	2.7
157.10126	7.5
159.08128	1.3
159.11716	11.9
161.13326	5.2
163.11166	2.1
163.14899	2.5
169.10165	3.6
171.10315	2.1
171.11758	4.2
173.13251	7.3
175.11221	2.7
175.14871	2.9
177.12796	1.3
181.10165	1.7
183.11797	2.7
185.13264	3.4
187.11284	1.9
187.13315	1.1
187.14850	2.8
189.11270	6.0
189.12776	1.5
189.16399	1.2
193.12256	7.1
195.11774	1.3
197.13374	2.0
199.14922	3.1
201.12775	1.2
201.16527	1.7
209.13310	1.5
213.16510	2.0
227.12775	8.6
233.15359	1.6
235.16953	2.0
243.16025	1.3
243.21155	2.6
247.16965	1.5
249.14940	2.3
259.20718	2.3
261.19601	1.6
261.22156	11.2
267.15939	17.8
273.18536	1.5
277.21643	1.2
279.23267	1.2
283.24277	1.3
285.22144	3.4
287.20120	1.7
295.22977	1.2
297.59729	1.1
299.23764	1.1
301.22021	1.2
301.25244	13.4
303.23315	1.2
315.19363	1.0
317.24927	1.7
328.10129	1.2
335.25861	16.4
341.24838	1.4
355.26437	1.0
359.26376	1.3
395.83121	1.1
403.24826	1.4
412.80344	1.0
417.26468	1.5
417.31577	1.2
421.26138	2.4
435.27435	2.6
435.32715	5.5
440.78619	1.1
449.29352	1.7
453.33658	12.2
471.35034	9.4
475.93781	1.4
509.36429	2.7
527.37347	53.7
528.37903	1.2
545.38440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01874	2.5
55.05512	22.7
57.03436	5.7
57.07076	2.9
65.03943	1.8
67.05507	52.4
69.03462	1.7
69.07076	17.4
69.15626	16.4
71.05000	4.5
71.08630	7.4
72.15401	1.7
79.05495	37.0
81.03423	23.8
81.06586	3.3
81.07059	52.5
83.04980	5.5
83.08616	16.9
85.02921	4.8
91.05486	32.9
93.07053	41.3
95.04970	20.1
95.08611	34.1
97.06527	4.1
97.10172	12.5
99.08102	6.4
105.07040	25.6
107.04985	3.7
107.08594	25.5
109.06538	3.9
109.10168	18.1
111.08095	4.4
113.09616	2.4
115.05486	2.2
117.06997	9.9
119.08590	18.0
121.06537	5.6
121.10168	17.1
123.08061	3.2
123.11696	5.8
125.09631	9.7
129.07031	7.0
131.08597	15.2
133.10139	14.4
135.08084	2.4
135.11693	14.4
140.54317	1.8
143.08609	6.3
145.06424	2.4
145.10120	9.9
147.08041	2.2
147.11705	11.7
149.09593	4.2
149.13306	8.6
151.07574	1.9
151.11230	2.7
157.10162	4.8
159.11708	10.9
160.07550	11.3
161.07907	6.3
161.13283	6.1
162.08127	1.8
163.11168	3.3
163.14864	2.7
165.12759	2.5
169.10141	2.0
171.11688	2.5
173.13264	4.9
175.11191	5.2
175.14772	3.1
179.14317	23.7
185.13290	5.0
189.11266	4.9
193.12238	10.7
199.14960	2.6
201.16362	3.6
211.13332	7.7
213.16423	2.6
227.12859	6.6
235.09579	1.6
235.16830	2.4
239.18236	1.7
261.22137	8.1
267.15826	13.8
271.61548	1.7
277.21640	17.2
285.22104	2.3
286.70987	2.0
301.25113	9.3
317.24799	2.3
327.38632	2.0
335.25879	12.0
435.27213	2.0
435.32629	4.9
453.33786	8.6
471.34738	2.9
527.37335	34.6
545.25256	3.7
545.38452	100.0
545.45966	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	546.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01856	0.8
57.03423	1.8
61.02934	2.7
67.05497	0.8
69.03435	4.6
70.06592	1.7
71.04979	0.8
71.52966	0.8
71.80725	0.5
72.08157	0.9
74.09707	1.5
76.02236	0.8
79.05492	1.3
81.03424	2.8
81.07053	5.3
83.01328	1.3
84.04499	0.6
85.02911	14.0
86.09695	1.1
87.04459	0.9
91.03962	0.7
91.05466	0.7
95.04966	1.3
97.02888	4.2
98.09682	2.3
99.04464	1.2
108.34007	0.6
109.02888	1.4
109.10224	0.6
116.01627	0.6
120.39770	0.6
123.04412	1.6
127.03908	2.4
130.05019	0.6
133.02974	0.6
139.03903	0.8
145.04953	2.8
147.04430	0.9
151.03906	2.6
153.05435	0.6
155.03435	1.1
163.03923	2.9
169.04990	5.7
174.45348	0.6
177.05486	1.2
179.03415	9.0
179.04855	0.8
181.04958	9.0
185.04378	0.6
187.03928	1.0
195.06584	1.1
197.04469	41.7
205.04968	2.5
205.08667	1.2
209.04488	2.1
209.08092	1.5
211.05989	1.0
223.06105	4.4
223.09615	1.0
229.08453	1.1
247.09663	2.5
265.10721	100.0
302.16513	0.6
322.77994	0.6
427.16174	3.1
546.20337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21195	0.4
52.63615	0.4
53.03938	1.1
55.01872	1.0
55.05496	0.5
55.35397	0.4
55.44086	0.4
56.05013	0.4
57.03432	1.7
59.96800	0.4
60.37251	0.4
61.02938	2.8
67.01891	0.7
67.05499	0.6
69.03437	5.9
69.07059	0.5
70.03979	1.9
70.06583	0.7
71.04994	0.5
73.02898	0.6
79.05484	1.1
81.03433	2.0
81.07059	4.3
83.01344	0.5
83.48197	0.4
84.04501	0.8
85.02910	14.2
86.09688	0.8
87.04428	0.7
87.61723	0.4
91.03960	0.8
93.07024	0.7
95.04954	0.7
97.02899	4.2
98.20860	0.5
99.04462	0.4
103.45369	0.4
109.02872	1.4
121.06489	0.7
123.04430	1.8
127.03943	2.4
135.04454	0.6
139.03908	1.1
145.04958	2.2
147.04448	0.5
151.03932	3.4
155.03429	0.6
163.03963	2.4
169.04958	5.4
177.05467	1.1
177.08919	0.4
179.03415	9.1
179.04936	0.7
181.04974	8.1
183.02899	0.6
185.04503	0.7
187.03952	0.9
187.07539	1.0
189.05475	0.8
191.03391	0.4
195.02946	0.6
195.06578	1.1
197.04482	41.5
204.32417	0.5
205.05016	2.3
205.08636	1.6
209.04478	2.0
209.07939	0.7
215.13115	0.5
217.05075	0.7
218.05394	0.6
219.10159	0.6
223.06056	5.9
223.09654	1.3
229.08638	0.7
247.09668	3.3
265.10736	100.0
352.44263	0.5
427.16068	2.7
565.09705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.5
58.06617	0.6
59.14995	0.3
66.52061	0.4
66.67476	0.3
68.05046	0.4
69.07075	7.6
70.02965	0.7
70.06596	76.4
74.06083	6.8
84.04516	0.8
86.09711	100.0
87.55044	0.4
88.04002	6.3
102.05533	0.8
110.02410	0.5
114.09201	0.4
120.06593	2.9
125.07121	12.4
130.05052	1.1
138.40433	0.4
142.12230	0.6
152.08185	0.5
159.07661	0.8
167.08174	4.0
171.07671	5.2
183.14923	6.3
185.09233	24.5
187.14453	1.5
190.72559	0.4
195.07634	1.4
196.06064	19.8
203.10307	2.0
211.14410	2.3
213.08707	18.7
215.13913	5.7
220.14473	2.4
221.11324	4.8
227.10263	0.5
262.15509	0.7
266.14978	1.8
273.07596	0.4
280.16519	1.6
291.13531	0.5
294.17923	0.7
298.17609	4.4
308.16064	4.3
312.19150	1.4
314.13470	1.4
316.18686	0.8
326.17136	25.2
334.19766	1.0
382.19778	0.5
383.19171	0.6
399.22293	1.6
409.20840	4.5
413.23785	1.0
427.21927	17.5
431.24969	1.1
447.00824	0.4
458.52945	0.5
492.24380	0.8
510.25485	4.8
528.26172	1.8
546.20178	0.5
546.27802	8.2
554.22455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05523	5.0
57.03451	3.7
57.07073	1.7
62.06097	1.0
65.03960	0.6
67.05183	0.5
67.05515	8.3
69.03440	0.9
69.06732	0.6
69.07077	7.0
69.65534	1.2
69.65941	1.2
71.05000	1.5
71.08651	4.5
79.05505	5.3
81.03410	1.5
81.07070	12.0
83.04979	1.3
83.08630	3.8
85.02902	0.7
85.06541	1.2
91.05486	4.3
92.32697	0.4
93.07062	8.0
95.04955	1.5
95.08065	0.8
95.08622	10.1
97.06561	2.6
97.10174	1.2
98.38064	0.4
98.82752	0.5
98.98470	3.2
99.08123	2.2
105.07051	7.9
107.08620	8.3
108.19781	0.4
109.06532	7.0
109.10164	4.5
111.08090	1.6
117.07005	1.1
119.08620	9.7
121.06454	0.6
121.10154	5.3
123.08089	12.9
123.11697	2.4
125.09649	1.4
129.07037	0.7
131.08575	2.8
133.10155	8.6
135.08070	6.6
135.11719	1.5
137.09668	1.5
137.13297	0.6
143.08574	0.8
145.10167	2.5
147.08139	0.6
147.11688	4.3
149.09604	2.2
149.13264	2.7
151.11154	0.8
153.14856	0.5
155.08524	0.6
157.10168	1.9
159.11714	3.2
161.09674	0.9
161.13252	2.0
163.11256	1.2
165.09120	0.6
165.12746	1.1
167.14389	0.6
173.02203	0.5
173.09599	0.7
173.13306	1.1
175.11234	0.7
175.14865	6.9
177.12788	3.6
179.14343	20.3
185.13382	0.7
187.14804	0.9
191.14340	0.8
193.12274	1.3
193.15941	1.3
205.15887	3.5
216.06313	1.1
223.17183	0.5
231.15880	0.6
247.20580	0.8
263.20087	1.7
267.16049	1.3
275.20071	1.0
281.21341	0.6
289.21716	5.4
293.21127	2.2
303.26913	1.6
319.22815	1.3
331.26367	10.6
337.23740	0.6
347.25928	0.9
349.23557	0.8
349.27408	5.4
349.31317	0.6
357.27820	0.8
361.27438	0.8
369.28046	1.1
374.30453	1.5
375.29019	1.4
387.28885	4.8
405.30066	100.0
406.30438	0.6
485.26416	0.9
503.27713	5.2
546.31464	2.2
546.38812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97120	1.8
53.03939	5.4
55.01857	2.2
55.05512	20.8
56.05825	1.6
57.03433	8.2
57.07069	5.4
65.03933	2.1
67.05505	84.0
68.05828	4.1
69.07072	14.3
69.81660	6.7
71.03092	1.6
71.04990	5.5
71.08619	2.8
79.05495	48.8
80.05817	3.0
81.03416	9.1
81.07056	94.8
82.03811	2.0
83.08618	15.1
85.02909	5.5
85.06539	3.7
91.05483	27.2
92.05791	3.8
93.07044	61.9
94.07389	2.2
94.56847	1.5
95.01331	3.0
95.04958	6.5
95.08607	70.4
96.08958	3.1
97.06532	6.6
97.10182	9.5
99.08092	3.6
105.07034	24.8
106.07339	2.7
107.08597	44.7
108.08917	2.4
109.06538	3.7
109.10158	37.3
111.08083	3.5
117.07030	13.4
119.08576	20.8
119.34299	1.6
120.08948	2.9
121.06491	2.9
121.10146	37.7
123.08057	3.9
123.11691	19.6
125.09655	5.6
129.06992	3.6
131.08563	23.2
132.08888	3.8
133.10126	20.0
134.10439	1.6
135.11679	26.9
136.12061	3.0
137.09618	2.3
137.13226	9.2
141.01828	6.7
145.10144	17.4
147.11711	16.1
149.09639	2.0
149.13246	25.3
151.11208	2.7
151.14812	3.4
157.10118	3.5
159.11691	18.6
161.13261	12.4
163.14810	17.5
165.12802	2.1
171.11632	3.2
173.13255	17.5
175.14825	4.5
177.12758	2.4
177.16423	6.2
179.14355	3.3
186.13524	1.9
187.14789	10.5
189.11160	3.9
191.14310	2.5
193.12122	4.0
197.79887	1.7
201.16422	4.0
205.15904	1.8
227.12845	2.4
231.17216	2.3
233.22714	3.7
237.31500	1.7
243.21114	33.3
261.22144	100.0
262.22397	2.1
267.15915	5.0
268.16290	5.1
279.23209	3.7
301.25256	2.2
302.25610	5.5
330.21198	2.0
335.25818	31.4
336.25992	3.5
353.26874	34.0
436.32632	2.6
454.33801	2.5
472.34921	3.1
511.29025	4.8
528.37537	18.7
546.24701	1.7
546.38824	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
53.61831	3.4
54.52753	3.8
55.05505	18.0
57.03442	6.8
61.02898	8.0
67.05510	64.9
69.07064	10.7
73.02901	4.0
78.10362	4.0
79.05483	37.8
80.05824	4.5
81.03408	10.7
81.07057	63.4
82.07377	4.1
83.08604	7.4
85.02895	7.0
91.03931	4.5
91.05494	26.0
92.05840	4.4
93.07056	45.6
94.07391	4.6
95.04961	10.1
95.08614	47.1
96.09042	6.0
97.06524	5.5
97.10165	7.9
101.04797	3.6
105.07063	21.4
106.07400	3.9
107.08594	24.4
109.10157	30.6
111.31574	4.2
117.06997	8.1
119.08568	9.4
120.06844	3.3
121.10145	25.2
123.11697	22.0
125.09602	9.4
127.24849	4.0
131.08559	25.3
132.08897	4.3
133.10132	19.5
134.10480	5.1
135.11655	24.5
137.13316	4.8
145.10130	14.7
147.11665	11.4
149.13301	12.0
150.50079	4.7
157.10054	4.0
159.11703	12.1
161.13268	10.2
162.27238	4.1
163.14828	10.1
171.05806	3.7
173.13258	13.4
177.16374	4.0
187.14786	9.5
219.49721	4.2
228.57880	3.8
243.21190	28.5
259.49658	3.8
261.22156	100.0
279.23227	4.9
335.25784	36.0
336.26495	5.7
349.79843	3.9
353.26846	45.2
406.08212	5.0
414.59756	4.0
454.33951	5.9
475.55542	4.4
528.30475	4.9
528.37531	25.5
528.44513	4.7
546.38794	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51816	0.7
72.67563	0.7
74.02442	0.7
86.09737	0.8
91.05481	0.8
115.05447	1.4
117.05748	0.7
117.07005	1.0
118.06540	20.5
121.33868	0.6
126.77841	0.6
130.06516	1.7
132.08115	4.6
142.06488	2.0
143.07294	1.5
144.08092	14.9
146.06013	62.8
159.09174	5.7
160.07532	0.9
170.06032	4.1
188.07074	100.0
189.07506	1.0
201.96162	0.6
205.09729	46.1
224.80107	0.6
328.34344	0.6
336.57990	0.6
352.85938	0.6
475.40765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01862	4.3
55.05272	2.0
55.05518	26.2
57.03447	12.6
57.07072	5.8
57.36123	1.3
65.03943	6.1
67.05515	92.7
69.06730	2.5
69.07079	30.9
69.26510	9.8
69.26922	2.9
71.04992	6.7
77.03950	1.9
79.05503	55.7
80.41911	1.2
81.03421	6.8
81.07069	100.0
83.04977	6.7
83.08629	15.5
85.06535	4.4
91.05492	38.1
93.07057	72.2
95.05003	7.8
95.08620	65.1
97.06549	8.6
97.10170	5.0
99.08098	3.5
105.04577	1.9
105.07050	32.5
107.04964	2.4
107.08607	42.6
109.06518	5.0
109.10174	28.1
109.66267	1.4
111.08064	4.3
115.05518	1.4
117.07031	15.3
119.08600	26.6
121.06519	2.7
121.10169	32.5
123.08031	2.4
123.11740	12.9
125.09689	2.7
129.07011	4.1
131.08577	23.4
133.10159	19.4
135.11708	15.8
137.13245	2.1
143.08563	5.9
145.10129	16.2
147.08083	1.6
147.11723	14.6
149.09642	2.4
149.12192	2.5
149.13274	27.7
155.08505	1.8
157.10152	5.5
159.11708	20.1
161.13260	6.7
163.11179	2.6
163.14832	2.9
169.10127	2.8
171.11670	3.5
173.11983	1.6
173.13322	9.2
175.11172	2.0
175.14874	4.5
177.12798	5.0
183.11650	2.2
185.13271	3.5
187.14835	4.9
189.16499	2.0
193.12228	2.7
195.13841	6.4
197.13177	2.6
199.14886	2.4
201.16501	2.0
201.50838	1.4
229.14226	2.7
243.21095	4.1
259.20679	2.6
261.22202	19.4
267.15900	7.9
269.17505	32.6
269.21848	1.7
275.20245	1.5
277.21802	1.9
285.21765	1.5
299.23785	1.8
301.25238	5.5
317.24832	2.7
333.24207	1.6
335.25867	39.7
337.27304	4.0
437.34375	9.1
455.35278	7.8
473.36493	8.2
503.37253	4.8
511.37903	3.6
529.38983	91.2
547.40027	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03955	5.9
53.98203	1.5
55.01890	3.9
55.05516	26.9
57.03439	11.2
57.07081	4.8
57.47880	1.5
65.03948	3.8
67.05510	95.1
68.05849	1.6
69.03441	3.2
69.07073	27.3
71.04990	4.5
71.08632	2.4
71.52600	2.6
79.05502	63.5
79.20327	1.4
80.05846	1.6
81.03428	5.8
81.07065	100.0
82.03765	2.0
82.07400	2.8
83.04990	7.1
83.08628	18.2
85.02918	2.4
85.06551	5.4
87.32186	1.4
91.05488	45.7
91.06022	2.9
92.05852	2.0
93.07051	69.5
93.07638	3.5
94.07397	1.4
95.04982	10.7
95.08614	61.9
97.06534	11.3
97.10165	7.9
98.10471	1.6
99.08111	3.2
105.04518	1.9
105.07048	38.3
106.07401	1.8
107.04981	2.5
107.08598	40.5
108.08940	1.6
109.06522	2.9
109.10166	31.1
111.08133	7.2
117.07031	13.7
119.08601	32.0
121.06533	2.8
121.10155	32.2
123.08081	3.8
123.11694	9.0
125.09664	4.9
125.68750	1.6
129.07054	5.9
131.08583	28.4
131.09514	2.0
133.10153	27.1
133.11105	2.4
135.08134	3.2
135.11719	21.4
137.09659	3.5
137.13292	2.7
141.07019	2.5
143.08568	10.5
145.10118	19.8
147.11713	18.2
149.09662	2.2
149.13266	17.0
151.11188	3.2
155.08582	2.5
157.10114	8.7
159.11719	22.1
161.13272	11.1
163.11259	2.8
163.14899	6.4
165.12775	3.3
169.10219	3.6
171.11687	7.4
173.13264	11.6
175.11263	3.2
175.14896	4.1
177.12894	3.9
179.14307	2.8
181.10356	1.8
183.11731	4.0
185.01056	1.6
185.13329	6.0
187.13399	1.9
187.14915	5.8
189.11272	1.9
189.12820	2.2
189.16420	3.0
193.12325	2.3
195.13925	6.6
197.13324	2.2
199.14949	2.9
201.16486	3.9
205.15956	1.8
215.18230	1.8
223.14980	2.3
225.16403	1.9
227.12866	2.3
229.14438	3.4
261.22177	11.6
267.16019	5.3
269.17465	19.8
271.20691	2.0
287.23846	5.5
305.24857	2.3
317.24905	2.1
328.65936	1.6
335.25876	22.2
343.26382	2.4
419.33194	3.3
437.34216	14.8
455.35147	12.8
473.36325	9.4
503.37631	7.1
511.38129	6.8
529.38922	97.1
547.39929	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82627	1.7
53.03946	5.5
53.50992	2.0
54.22964	1.7
55.01877	2.7
55.05513	22.9
57.03429	6.7
57.07066	4.0
65.03934	5.4
65.14670	1.6
67.05508	83.0
69.03393	3.9
69.07066	20.4
71.04996	38.1
71.52999	2.4
79.05495	49.0
81.03407	14.6
81.07062	55.0
83.04971	7.6
83.08620	13.8
85.06557	4.1
87.34727	2.0
91.05487	34.2
93.07048	53.8
95.04971	12.3
95.08611	35.1
97.06532	6.1
97.10174	8.4
105.04563	2.1
105.07025	21.1
107.04964	4.3
107.08601	24.1
109.06487	4.3
109.10155	44.8
111.08097	2.4
117.07009	8.9
119.08579	25.9
121.10156	19.6
123.08092	2.0
123.11715	3.7
125.09637	4.3
129.07030	4.2
131.08543	9.3
133.10141	10.7
135.08043	2.1
135.11702	21.1
137.09622	15.1
141.07027	2.1
143.08562	3.9
145.10126	12.4
147.11658	8.7
149.09546	2.4
149.13298	5.0
157.10223	4.5
159.11624	3.9
161.13252	3.6
163.11201	8.6
163.14874	2.4
169.12315	4.7
171.11745	2.0
173.13231	3.3
175.14806	3.2
181.12271	4.1
193.12334	5.2
227.12756	4.7
229.01762	2.0
261.22195	4.1
263.23828	2.0
267.15854	14.1
269.17804	3.0
271.15500	2.4
299.48047	1.9
303.26953	1.8
316.26291	1.9
337.27493	11.7
363.25140	3.9
428.76932	2.2
437.34180	2.6
455.35303	3.3
473.36508	3.7
503.37427	14.1
515.37299	8.2
529.39020	26.9
529.46411	3.1
547.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.12236	0.3
55.01862	0.6
55.05511	0.5
57.03443	1.4
60.47063	0.3
61.02935	2.7
67.05489	0.4
69.03435	5.8
69.07041	0.3
70.21848	0.7
70.22204	0.5
71.04977	1.0
73.02897	0.9
76.38835	0.3
79.05471	0.9
81.03423	2.8
81.07061	4.8
83.01343	0.7
85.02911	15.8
87.04472	1.2
91.03957	0.9
95.08031	0.3
97.02901	5.5
98.20686	0.3
99.04463	1.2
107.08573	0.3
109.02864	1.6
123.04439	1.3
127.03920	3.3
139.03911	0.9
145.04982	3.1
146.23941	0.3
147.04376	0.6
151.03931	2.0
155.03429	0.7
163.03908	2.2
167.03494	0.4
169.04984	4.4
177.05490	1.8
179.03403	7.1
181.04968	9.3
183.02888	1.1
185.04358	0.6
187.03928	0.7
187.07555	0.7
190.27956	0.3
191.03381	0.3
193.04948	0.5
195.06564	0.9
197.04469	36.7
205.05003	3.5
205.08601	1.1
209.04472	1.6
209.08054	1.5
211.05966	0.9
219.10121	0.8
223.06021	6.0
223.09477	1.6
229.08621	1.0
247.09732	3.0
254.69298	0.3
265.10724	100.0
266.10956	0.4
309.43890	0.4
427.16034	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	548.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01871	1.1
55.05504	0.2
57.03433	1.7
57.07069	0.2
61.02922	2.6
67.45821	0.2
67.85849	0.2
68.45963	0.2
69.03430	6.3
69.07067	0.3
71.01347	0.3
71.04989	0.5
71.17239	0.4
71.17570	0.4
73.02911	0.8
79.05476	0.6
81.03415	2.9
81.07063	3.2
83.01350	0.7
85.02908	13.8
87.04456	0.8
87.08078	0.2
91.03944	1.1
97.02890	5.1
99.04443	1.3
109.02885	1.4
113.02340	0.3
123.04430	1.1
127.03923	3.2
135.08029	0.4
139.03899	0.7
142.08513	0.2
145.04984	2.4
146.29617	0.2
151.03926	1.6
151.97372	0.3
155.03383	0.9
159.04456	0.3
161.02405	0.4
163.03929	2.1
169.04955	4.9
171.82195	0.2
177.05467	1.3
179.03394	7.0
181.04971	8.4
183.02910	0.9
183.08101	0.3
185.04367	0.4
187.03905	0.9
187.07565	0.8
193.04968	0.6
195.02904	0.2
195.06503	0.9
197.04460	37.2
201.09239	0.3
205.04941	2.9
205.08591	1.3
209.04457	1.7
209.08116	0.8
211.05957	1.8
219.10127	0.5
223.06030	6.0
223.09482	1.5
229.08601	1.1
247.09669	2.7
265.10709	100.0
266.11017	0.4
345.86163	0.3
373.11166	0.3
390.58865	0.3
424.46280	0.3
427.16013	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	548.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01881	0.9
56.59700	0.2
57.03432	1.6
57.07085	0.4
61.02703	0.2
61.02934	2.3
69.03432	6.0
69.07051	0.5
69.26354	0.4
69.26756	1.8
71.04993	0.9
72.08145	0.2
73.02909	0.7
79.05503	0.7
81.03424	2.7
81.07059	4.1
83.01347	0.7
85.02908	15.8
87.04497	1.3
91.03957	0.9
97.02898	5.6
98.09679	1.2
98.20699	0.4
99.04493	1.1
109.02882	2.2
114.02055	0.2
115.03955	0.2
116.85842	0.2
123.04440	0.8
123.08090	0.2
127.03926	3.8
133.21747	0.2
135.08008	0.2
139.03911	0.6
145.04965	2.8
149.05962	0.3
151.03937	1.9
155.03392	1.0
159.04439	0.4
163.03909	2.2
167.03296	0.4
169.04971	4.9
177.05521	1.3
179.03401	6.5
181.04958	9.6
183.02895	0.6
185.04463	0.5
187.03934	0.8
187.07538	0.8
193.04985	0.5
195.04752	0.2
195.06519	0.8
197.04465	37.9
201.09065	0.6
203.28300	0.2
205.04977	2.8
205.08601	1.5
209.04500	1.7
209.08063	1.1
211.05942	1.0
219.10223	0.5
223.06024	6.3
223.09470	1.5
229.08563	0.7
237.11226	0.3
247.09680	3.3
263.14178	0.2
265.10712	100.0
266.10880	0.3
296.16409	0.2
328.42911	0.2
427.16025	19.3
428.16367	0.2
448.05124	0.2
508.97977	0.2
548.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01859	0.6
55.05510	0.5
57.03428	1.1
60.07562	0.3
61.02941	1.9
67.01864	0.3
67.05491	0.9
69.03088	0.4
69.03431	5.0
69.07050	0.4
70.06585	1.5
71.04988	1.0
71.52606	0.3
73.02924	0.7
76.02235	1.5
78.53446	0.3
79.05483	0.7
81.03420	2.1
81.07041	0.7
83.04987	0.4
84.04504	0.4
85.02907	11.4
86.09690	0.7
87.04458	0.9
91.03954	0.7
91.05482	1.1
95.04946	0.4
96.08112	0.8
97.02895	4.4
99.04442	0.9
99.46586	0.3
100.02157	0.3
104.07124	0.6
107.08599	0.6
109.02847	1.1
109.06527	0.3
109.10104	0.6
116.01653	0.3
119.04932	1.3
121.06563	0.3
123.04431	0.3
125.09649	0.4
125.86323	0.3
127.03915	2.1
130.05026	0.7
137.05943	0.8
142.08650	2.2
145.04968	1.9
145.10043	0.3
147.04402	6.0
151.03905	0.8
155.03371	0.4
162.02190	1.0
165.05438	2.2
169.04985	2.0
175.03909	2.2
177.03340	0.4
178.12100	0.3
178.87260	0.3
179.03499	0.5
179.04857	1.7
181.04961	0.9
183.06522	1.3
189.11172	0.4
193.04970	15.6
197.04456	4.2
211.06015	100.0
223.05971	0.4
223.13275	1.0
233.05920	0.4
248.16513	0.6
253.88586	0.3
265.10727	10.6
265.13559	0.6
266.17529	2.6
283.11841	1.5
287.05423	1.5
308.09277	1.3
317.06079	0.4
324.21576	0.3
326.06793	0.4
361.02393	1.6
368.20639	1.5
373.11304	28.7
379.03256	0.3
386.21725	4.5
410.53943	0.3
427.15939	2.5
434.27548	0.4
445.16803	1.6
445.90063	0.3
542.34515	0.3
548.23956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01872	0.7
55.05512	5.0
57.03419	1.5
57.07079	5.6
61.02919	1.6
67.05483	0.7
69.03436	6.7
70.06570	0.5
71.04993	0.8
71.52837	0.9
73.02905	0.7
79.05476	0.6
81.03409	2.1
81.07052	1.6
83.01311	0.5
83.04963	0.9
85.02903	10.7
87.04500	0.5
87.08110	32.5
91.03963	0.8
91.05473	1.5
93.07050	0.5
95.04939	0.6
95.08584	0.5
97.02899	4.4
97.06532	1.6
98.21712	0.5
99.04461	1.4
100.34724	0.5
103.03954	0.6
105.07021	0.7
107.08598	0.7
109.02855	0.8
109.06531	1.4
111.08071	0.9
119.04942	1.1
119.08554	0.5
121.06499	0.5
123.04467	0.6
123.08086	0.5
124.07605	0.4
127.03943	2.8
137.05989	0.8
145.04970	3.3
147.04414	5.4
151.03896	0.8
155.03474	0.5
163.03844	0.9
165.05473	1.6
169.05017	2.5
175.03909	1.8
177.05453	0.7
179.03439	2.5
181.04936	1.7
183.06572	0.6
185.04497	0.8
193.04974	13.3
197.04471	12.8
202.09052	0.6
205.04955	1.1
209.04512	0.6
211.06021	100.0
217.10707	1.9
223.06050	1.3
238.77199	0.4
265.10712	26.7
266.11057	0.5
267.12207	3.3
297.13254	4.3
317.87387	0.6
373.11288	14.6
416.90613	0.4
427.16046	14.3
442.25412	0.5
446.41653	0.6
459.18747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60704	1.7
55.05516	20.6
55.36065	1.8
57.03421	8.9
57.07087	11.3
58.21888	1.8
65.03934	3.6
67.05509	84.0
68.05820	2.1
69.06734	2.6
69.07074	39.7
71.04977	3.3
71.08629	6.7
71.52602	2.4
71.91851	1.9
73.02868	1.8
79.05492	30.3
80.05809	2.4
81.03432	4.8
81.07061	100.0
82.07372	2.7
83.04976	3.8
83.08621	25.5
85.02881	5.2
85.06551	3.6
85.10186	2.5
88.07622	2.9
91.05473	24.9
93.06505	1.7
93.07053	30.0
94.07323	2.2
95.01321	6.3
95.04957	2.7
95.08611	90.5
96.08950	3.5
97.02917	1.8
97.06526	7.8
97.10159	16.6
99.08082	5.2
105.07037	15.9
106.07384	2.0
107.08607	26.2
109.06481	2.7
109.10165	48.7
111.08079	3.8
111.11707	5.4
113.09641	2.0
117.06909	2.7
119.08595	19.0
120.88612	1.7
121.10139	25.9
123.08054	1.9
123.11702	20.7
125.09637	2.0
125.24821	2.0
131.08611	2.2
133.10152	17.7
135.11720	14.8
137.13268	7.6
141.01808	9.4
141.12709	4.2
147.11700	10.6
149.13272	13.1
151.11148	2.8
151.14799	8.5
155.14264	5.2
159.11763	2.4
159.15045	1.9
161.13268	14.2
163.14832	13.9
165.16415	8.2
175.14832	13.0
179.14342	2.7
179.17952	9.7
189.16389	6.3
193.15955	1.9
245.22665	63.6
263.23703	93.0
272.20490	2.2
281.24588	2.2
337.27374	69.3
355.28360	7.3
513.30310	7.5
530.38220	4.3
548.39594	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	548.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05516	21.6
55.79883	3.0
57.03430	10.3
57.07063	4.0
67.05195	3.5
67.05511	54.6
69.07082	16.7
71.04980	5.8
79.05506	32.9
81.03378	6.3
81.07063	49.0
82.10432	3.3
83.04968	4.0
83.08593	10.9
84.47594	3.3
85.02901	4.3
85.06525	3.5
91.05480	31.0
93.07052	38.7
95.08180	2.8
95.08623	31.9
97.02887	5.7
97.06525	8.2
97.10178	6.3
98.21629	7.7
98.45210	2.9
99.08141	3.4
100.16922	3.4
102.37262	3.1
105.07031	23.4
107.08603	31.8
109.10152	30.5
111.08099	4.7
116.02911	3.7
119.08588	21.8
121.10150	19.5
123.08067	4.1
123.11693	4.8
125.09615	8.7
129.07008	4.9
131.08556	11.8
133.10121	18.2
135.11700	13.9
143.08553	7.4
145.05255	3.5
145.10120	11.6
147.11703	17.2
149.13248	11.3
159.11681	12.5
161.13237	15.2
167.91959	3.5
171.11621	5.8
173.11798	4.9
173.13167	6.8
175.14839	5.7
179.14285	4.4
189.11212	6.1
218.15883	4.3
227.12747	4.0
229.14368	16.2
231.21013	3.5
241.19536	14.2
249.78111	3.2
259.20688	20.5
269.17432	5.9
277.21625	31.4
351.25290	100.0
513.30444	5.6
555.58966	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	548.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36917	2.9
53.03942	10.1
55.01862	5.6
55.05511	21.1
57.03434	7.6
57.07063	8.7
65.03938	6.1
67.05505	57.4
68.05834	3.9
69.03428	26.1
69.07056	17.0
70.28078	3.2
71.04990	7.5
71.08604	8.7
79.05493	47.7
81.03421	43.3
81.07056	63.4
83.04984	7.2
83.08603	9.7
85.02905	21.5
89.06026	12.2
91.05484	100.0
93.07050	59.3
95.04970	9.4
95.08611	49.0
97.02866	14.2
97.06527	6.2
97.10143	5.5
99.04454	6.4
103.03928	4.5
105.07030	36.5
107.04961	4.0
107.08589	30.8
109.02852	10.7
109.06493	3.3
109.10151	19.3
111.04418	8.5
111.08057	4.5
115.05492	3.0
117.07032	23.2
119.08582	34.6
121.10139	22.8
123.11678	8.4
125.89143	2.8
127.03938	9.0
129.07011	14.9
131.08578	26.1
133.08670	3.5
133.10144	26.1
133.82001	3.1
135.08092	3.8
135.11710	13.6
136.12091	3.1
137.13213	3.7
141.06952	9.4
143.08551	14.4
145.10143	19.3
147.11673	12.3
149.13185	6.6
155.08583	4.7
157.10172	8.6
159.08107	3.2
159.11668	17.4
161.13200	8.7
163.07610	4.5
163.11221	3.4
163.14758	3.2
167.08560	5.0
169.10147	12.4
171.11662	11.7
173.13232	14.7
175.11032	3.1
175.14902	3.8
181.10136	3.6
183.11734	5.6
185.13213	3.9
187.14790	5.6
195.11588	4.5
197.13283	5.6
199.00500	3.5
199.14853	6.1
207.11665	4.0
207.13742	3.8
209.13173	4.4
211.14751	2.9
213.12695	4.0
213.16393	4.0
215.14378	3.3
223.14796	4.0
257.24683	3.5
259.20526	5.3
261.22070	12.4
271.16934	2.8
271.20480	4.6
273.21936	4.1
275.16446	3.1
277.21692	6.6
303.23196	9.1
315.23358	4.2
341.24661	5.8
345.24347	3.5
351.23077	5.4
369.24139	13.6
379.05240	3.0
387.25232	15.3
405.26367	17.4
423.27319	6.2
451.36435	16.7
530.39050	8.2
548.39923	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	550.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01862	0.6
56.85668	0.3
57.03434	0.7
59.83616	0.3
61.02928	2.0
67.01862	0.4
67.05489	0.4
67.74005	0.3
69.03078	0.4
69.03429	4.4
69.07094	0.4
69.39419	1.6
69.39819	0.8
71.04971	0.5
73.02895	0.7
76.02219	0.5
81.03414	2.1
81.07050	0.7
85.02908	10.6
85.86774	0.3
87.04481	0.7
87.08084	0.7
91.03963	0.4
91.05480	1.0
93.02547	0.3
97.02908	4.5
99.04429	0.5
109.02876	1.0
119.04942	1.4
121.02905	0.3
123.04295	0.4
127.03923	2.4
137.05989	1.1
139.66312	0.4
145.04962	2.4
147.04431	5.9
151.03905	0.6
155.03366	0.4
165.05489	2.2
169.04976	2.2
175.03941	3.1
179.03409	0.7
181.04979	0.8
183.06506	1.2
193.04980	14.7
197.04459	3.1
211.06021	100.0
212.06168	0.4
223.06052	0.5
265.10727	8.6
283.11890	1.7
325.48773	0.4
373.11328	22.4
427.16013	1.8
445.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01864	0.7
55.05509	0.4
57.03431	0.8
57.42202	0.3
60.94185	0.3
61.02929	1.5
69.03077	0.5
69.03429	5.4
69.12985	0.2
69.50665	1.1
69.51070	0.9
71.01337	0.3
71.04993	0.6
73.02914	1.3
76.02211	0.5
80.81715	0.2
81.03429	1.9
81.07041	0.8
83.04980	0.3
85.02906	10.9
86.09708	0.5
87.04465	0.6
87.08104	1.0
91.03967	0.6
91.05457	1.0
95.05006	0.4
97.02895	4.8
99.04448	1.1
109.02857	1.1
113.02394	0.3
114.17780	0.3
115.03887	0.4
119.04976	1.6
123.04424	0.4
127.03918	2.6
130.04984	0.4
136.07550	0.3
137.05978	0.8
139.03886	0.4
145.04959	2.7
147.04422	5.6
151.03877	0.8
155.03398	0.3
165.05478	2.1
169.04996	1.8
175.03918	2.7
179.03439	0.6
181.04927	1.0
183.06525	1.1
193.04973	15.2
197.04443	3.1
205.53394	0.3
211.06012	100.0
223.05954	0.3
265.10730	9.9
283.11746	1.4
287.05518	3.5
299.05341	0.3
373.11310	21.9
427.15964	1.8
445.16910	0.6
550.21301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
55.05516	4.4
57.03437	9.5
69.03418	5.1
69.49664	16.3
70.06583	6.0
71.04998	54.5
73.02919	2.7
75.04466	3.0
78.92006	2.0
79.05482	3.6
80.01436	2.2
81.07071	4.5
83.04976	13.5
84.04512	4.9
85.02909	87.3
85.67860	2.9
86.06044	2.6
91.05468	4.6
93.07050	5.4
95.08625	4.1
97.02903	7.0
99.04532	2.9
105.07027	4.5
107.08630	4.3
109.06528	100.0
109.07272	5.8
111.04459	6.3
114.05599	2.8
119.08578	4.4
123.08093	15.8
127.03934	5.9
129.05489	42.8
131.08546	12.6
133.10062	2.5
134.04588	2.5
136.07497	2.4
137.09647	3.5
143.08655	3.0
145.04967	4.6
145.10141	3.9
147.06540	21.5
147.11697	6.5
149.09625	27.1
151.07553	20.9
165.05598	3.4
165.07509	2.3
165.12749	3.2
171.11662	8.0
189.12762	35.3
193.08534	3.5
207.13814	87.4
228.12341	7.6
255.08763	3.6
268.11780	2.6
273.09695	3.7
275.35901	2.2
309.11810	3.1
314.12296	2.8
359.14966	2.9
490.15344	4.4
518.14844	2.9
550.17303	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	550.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01875	1.0
57.03446	3.9
57.07110	0.6
59.04998	1.1
61.02938	1.2
69.03446	3.8
69.19077	4.2
69.19504	2.0
70.06563	0.6
71.05000	15.7
73.02905	0.6
79.05484	1.1
81.03405	1.1
81.07067	0.7
83.04988	0.9
85.02910	24.5
87.04458	0.7
91.05484	11.2
93.07010	1.0
95.04964	0.9
95.08585	1.1
97.02892	2.7
99.04425	0.7
100.11243	0.6
102.91421	0.6
105.07046	3.0
107.08582	1.5
109.02891	1.1
109.06526	3.9
109.07146	0.6
110.06072	1.0
111.04462	1.3
116.06236	1.6
117.07004	1.1
119.04949	1.4
119.07805	1.1
119.08592	14.1
119.38846	0.7
121.10146	1.1
123.08066	1.5
123.11691	0.6
127.03883	1.0
129.05495	4.3
129.06970	3.8
131.08577	38.3
133.06477	1.3
133.10117	1.8
135.07022	0.8
135.08061	15.7
143.08557	1.7
145.05028	1.3
145.10100	2.0
147.04446	3.0
147.06787	1.2
147.08057	35.5
147.11673	1.3
149.09625	2.4
150.10349	1.0
151.07561	12.5
156.09344	5.5
159.11581	0.6
161.09624	1.9
163.11134	1.6
165.05513	1.4
169.05035	0.9
171.11702	13.2
173.13237	0.8
175.03929	1.4
188.43489	0.6
189.12755	100.0
191.14311	19.8
193.04971	8.6
194.59152	0.6
197.04443	1.6
207.13803	6.9
211.06024	52.3
265.10736	5.7
283.11682	0.8
335.18536	1.0
373.11288	11.5
400.60199	0.6
427.15997	1.1
550.40063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05503	0.7
55.74347	0.3
57.07073	0.3
61.02919	0.3
61.55688	0.3
63.04005	0.3
65.03940	0.8
67.05506	1.3
69.03422	2.6
70.06603	0.6
70.54420	0.6
70.54759	0.4
70.73573	0.3
71.04995	0.6
72.08153	0.6
73.02906	0.4
76.02224	0.5
79.05492	4.6
81.07063	0.6
84.04528	0.3
84.08138	0.9
85.02909	1.6
85.06531	0.5
86.09763	0.4
87.08091	2.2
88.89643	0.3
91.05480	4.8
93.07060	2.0
95.04972	5.0
95.08623	3.1
97.02883	0.7
105.07030	3.8
107.04947	0.5
107.08598	13.3
109.02896	0.3
109.06520	2.2
109.10166	2.1
115.05453	1.3
117.07014	4.0
119.06078	0.5
119.08595	1.1
120.08103	0.3
121.10116	0.6
123.08060	0.3
130.04968	0.4
131.08583	1.8
131.33916	0.3
133.10132	1.1
135.08058	100.0
137.90005	0.3
143.08537	0.5
145.04988	0.5
145.10065	0.3
147.04337	0.5
149.09633	1.9
149.13283	0.5
158.10947	0.5
158.39156	0.3
159.48589	0.3
163.11153	0.4
163.14760	0.3
171.11484	0.3
173.13271	2.9
179.04794	0.3
191.14311	94.0
192.14636	0.3
193.04951	1.0
211.06023	5.8
273.54825	0.3
287.05505	1.7
308.08801	0.5
346.99799	0.4
373.11044	1.0
386.97751	0.3
388.28656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1038
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03952	1.6
55.01874	1.8
57.03436	1.0
61.02932	1.1
65.03932	0.2
67.05519	0.2
68.99795	1.1
69.03436	6.2
70.06590	0.4
71.01328	0.2
71.05007	1.0
71.52345	0.3
73.02923	1.4
76.02284	0.1
79.57955	0.1
81.03423	7.6
81.07047	0.2
83.04977	0.2
85.02913	11.8
85.54030	0.1
86.09701	0.2
87.00841	4.9
87.04466	0.2
91.03960	0.4
91.05487	0.2
93.03417	0.3
93.07048	0.3
95.08601	0.2
96.85688	0.2
97.02905	4.1
99.04459	2.3
102.02570	0.1
105.01877	2.6
105.07023	0.8
107.08579	0.2
109.02892	6.4
111.00809	0.7
115.03987	0.3
117.01859	1.2
119.08604	0.3
121.02907	0.9
121.10146	0.3
127.03926	8.8
129.01854	0.9
131.08556	0.2
133.02872	0.2
133.10124	0.2
137.02359	2.3
145.04965	2.9
145.06267	0.2
145.06522	0.2
147.02914	0.8
147.04506	0.2
147.07959	0.2
149.02377	0.3
149.09534	0.2
153.01839	3.3
159.02904	4.6
161.06029	0.3
163.03880	0.6
165.01857	1.8
166.02580	0.2
171.11693	0.8
173.06030	0.3
177.05576	0.2
183.02902	0.9
183.04402	0.3
187.03987	0.2
189.12727	1.2
190.13145	0.4
193.04976	0.2
201.05505	1.3
207.13858	0.2
211.06036	0.4
212.06303	0.3
213.03894	0.3
219.06552	0.4
225.14841	0.2
229.04979	4.0
231.05070	1.4
247.06110	0.6
257.04431	2.9
274.04761	0.5
283.10751	0.2
285.04034	1.0
303.05005	100.0
304.05402	0.8
329.11432	0.3
345.06009	0.3
357.10999	0.2
389.13562	0.5
456.72787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1398
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
54.55451	0.4
55.01859	1.7
57.03439	3.2
61.02927	3.5
62.38628	0.4
63.24143	0.4
66.24481	0.4
68.99798	0.6
69.03085	0.7
69.03429	8.0
69.76478	1.6
70.03741	0.6
70.06600	2.2
71.01355	1.0
73.02920	17.1
76.02249	0.6
81.03420	1.2
81.03931	0.4
84.43709	0.4
85.02905	5.7
86.03211	0.4
86.09671	0.5
87.04469	0.7
97.02293	0.8
97.02895	10.8
98.87511	0.5
99.04440	0.7
103.03948	0.7
107.04956	0.7
109.02850	0.5
111.00791	0.5
115.03935	7.6
119.27169	0.4
120.08110	0.7
121.02878	2.3
121.52882	0.5
127.03887	1.5
133.04941	3.8
143.03421	1.1
147.04344	1.1
153.01857	2.8
157.04968	0.8
165.01828	1.5
165.05565	0.5
169.04996	1.1
170.05341	0.5
183.02876	1.0
185.06084	0.4
190.51373	0.4
193.04947	1.9
194.05307	1.5
198.11751	0.4
205.56396	0.5
211.06020	19.2
212.06380	10.3
213.05498	0.9
229.07076	1.3
229.15591	0.6
231.06581	0.5
255.60152	0.5
258.05289	1.0
265.10620	1.2
266.11047	1.1
287.05508	100.0
288.05783	0.6
299.05536	2.3
313.07025	0.8
325.07028	0.7
329.06616	2.5
337.07043	0.9
341.06476	0.6
353.06549	1.8
365.06512	1.0
373.11237	1.8
374.11649	3.2
383.07819	3.3
401.08798	1.5
419.09747	5.6
517.15948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4249
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
51.02393	1.1
53.03939	4.2
55.05513	10.7
57.07073	9.0
58.41234	1.0
59.04977	1.3
65.03940	3.5
65.73082	1.0
67.05505	22.3
69.07076	18.7
71.04979	1.2
71.08632	2.0
77.03910	1.3
79.05497	17.9
80.31152	1.2
81.07056	38.2
83.08612	7.8
85.06512	2.4
91.04914	1.6
91.05481	33.8
93.07050	46.9
93.07641	2.3
95.04969	3.8
95.08607	39.0
97.10133	1.7
103.05466	4.0
105.04553	1.8
105.07034	68.7
107.08598	53.2
109.06480	1.5
109.10155	40.3
115.05460	3.2
116.06197	1.5
117.07030	12.1
119.08585	100.0
121.10146	45.3
123.08045	1.8
123.11707	11.7
128.06200	5.5
129.06998	11.4
130.07806	7.0
131.08565	28.7
133.10138	54.4
135.08041	1.7
135.11696	35.7
135.12729	2.0
137.09598	2.9
141.07005	4.3
142.07782	12.2
143.08571	22.1
144.09335	4.3
145.10123	62.3
146.10881	1.2
147.11688	21.5
149.09628	2.9
149.13242	5.8
151.14799	1.5
153.07039	1.5
155.08568	9.5
156.09360	9.4
157.10135	35.0
158.10916	5.3
159.11700	38.3
160.12466	1.6
161.13255	14.4
163.11192	2.5
163.14854	1.7
165.06996	3.4
167.08578	5.1
168.09352	3.5
169.10129	13.9
170.10982	6.2
171.11687	23.0
172.12462	1.4
173.13277	21.7
175.14824	35.7
179.08522	6.3
180.09370	2.4
181.10092	9.0
182.10997	6.0
183.11665	14.2
184.12410	2.7
185.13266	14.5
186.14044	1.2
187.14818	15.1
189.16443	3.0
191.14432	1.2
192.09308	1.5
193.10144	5.9
193.15927	2.5
194.10966	4.3
195.11668	12.2
196.12520	4.8
197.13242	17.9
198.14070	2.3
199.14835	9.5
201.12723	1.9
201.16393	14.1
206.10936	3.2
207.11670	6.0
208.12508	3.1
209.13219	12.4
210.14015	3.1
211.14833	10.0
212.15536	1.2
213.16312	7.0
215.17947	2.7
217.15923	1.8
219.11818	1.5
219.17493	3.1
220.12508	1.8
221.13260	7.6
222.14001	2.4
223.14865	9.5
225.16463	5.7
227.17981	3.2
231.11716	2.4
231.17325	1.3
233.13274	2.3
234.14148	1.2
235.14809	4.6
237.16425	5.2
239.18025	3.3
241.19537	3.2
243.11447	1.2
245.13383	1.8
247.14835	2.6
249.16505	4.9
251.18002	2.9
251.29918	1.2
253.19597	4.5
255.21272	1.2
257.19073	2.6
259.20517	2.2
261.16370	2.4
263.17892	3.5
265.19485	4.8
267.21133	6.4
273.16364	1.8
275.17966	2.2
277.19547	2.2
279.21069	3.4
281.22708	1.2
285.22220	3.5
287.18002	1.4
289.19617	2.5
305.22607	2.2
309.22086	1.6
311.23547	1.1
319.24188	1.6
321.21750	1.1
329.22635	1.3
331.24194	2.4
333.25845	2.1
337.25418	1.1
345.25888	3.7
349.25323	1.6
359.27344	1.5
385.28851	1.4
411.31247	1.0
429.31400	2.9
429.81976	1.3
459.36279	2.4
495.36432	2.1
526.25702	1.2
533.41479	5.0
551.42450	37.0
551.49707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.05501	12.4
57.07072	16.0
67.05499	24.0
69.07062	20.5
71.08632	7.0
71.49998	5.4
77.03944	3.7
79.05502	16.6
81.07055	45.6
83.08621	9.0
87.91487	3.7
91.05485	32.7
93.07045	52.0
95.04966	4.1
95.08605	43.9
97.10152	4.2
103.05481	4.1
103.33627	2.9
105.07039	71.0
107.08601	56.2
109.10159	46.8
115.05479	4.5
117.07020	14.4
119.08585	100.0
121.10150	49.7
123.11712	13.6
128.06230	6.5
129.06989	9.6
130.07759	5.8
131.08566	26.9
133.10136	52.4
135.11702	34.6
138.70665	2.9
141.07042	3.4
142.07797	13.4
143.08586	23.8
144.09326	5.1
145.10130	67.6
147.11639	19.9
149.13275	7.7
153.06982	3.0
155.08537	6.9
156.09366	9.4
157.10132	33.5
158.10942	6.0
159.11713	41.4
161.13251	10.3
167.08458	3.4
168.09409	3.6
169.10175	12.3
170.10985	4.0
171.11690	23.2
173.13243	21.7
175.14836	31.8
179.08577	5.7
181.10165	9.6
182.10938	6.9
183.11740	16.3
185.13258	15.1
187.13310	3.8
187.14723	15.2
189.16443	3.4
193.10214	5.9
194.10983	4.9
195.11659	13.8
196.12396	3.4
197.13287	15.5
199.14801	7.8
201.16380	12.7
206.10823	3.2
207.11673	4.0
209.13272	11.5
211.14771	11.7
213.16399	5.9
219.11807	3.2
219.17384	4.4
221.13257	7.0
223.14803	11.1
225.16335	7.4
237.16368	4.7
239.17989	6.2
246.14397	3.5
247.14711	3.9
249.16335	4.8
253.19580	4.6
259.14944	3.8
259.20407	3.6
267.21045	4.8
277.19827	4.7
279.20956	5.7
285.22217	3.7
345.25845	5.4
406.94058	3.3
439.20090	4.4
459.22855	3.4
495.26059	5.0
495.36349	4.6
551.42255	37.0
551.49957	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05506	7.2
56.05024	2.7
57.03439	14.6
57.07091	2.5
57.32212	1.9
60.04511	3.1
61.02910	2.6
67.05492	9.5
69.03419	8.6
69.07066	9.6
69.14788	4.8
69.15189	17.3
70.06575	15.0
71.04996	77.7
73.02896	3.2
74.07703	2.0
74.24178	2.2
75.04482	4.4
76.02282	2.0
79.05499	7.9
81.03408	2.0
81.07059	18.7
83.04991	30.8
83.08617	9.3
84.04502	39.0
85.02908	100.0
85.06541	2.8
86.09705	7.0
87.04485	2.5
91.05504	15.4
93.07045	13.7
95.04970	29.3
95.08610	12.6
97.02876	6.9
97.06534	10.1
98.06033	2.1
99.04461	7.5
102.05573	10.0
105.07024	17.7
107.04965	3.0
107.08592	32.8
109.02876	2.8
109.06534	29.2
109.10158	23.7
111.04465	7.8
111.08076	4.1
119.08566	15.1
120.08096	2.2
121.10143	22.0
123.08086	9.7
123.11721	7.2
125.06019	2.8
125.09641	6.9
127.03915	5.7
129.04625	3.7
129.05496	35.4
129.07019	2.5
130.05017	16.2
131.08571	15.4
133.10135	78.4
135.08072	14.2
135.11711	10.5
137.13103	2.1
139.11192	4.4
145.05035	2.8
145.10101	9.3
147.06537	14.8
147.07635	3.5
147.11722	9.8
148.06058	35.7
149.09621	4.1
149.13277	19.7
151.11151	7.4
153.09138	13.5
157.10130	3.7
158.10930	7.0
163.11143	3.3
163.14824	4.3
164.09169	4.2
167.14337	5.7
171.10168	3.2
171.11504	2.1
173.13283	46.4
175.11301	2.5
175.14877	2.6
181.08504	2.4
181.12221	3.0
191.14311	89.3
193.12204	3.5
205.12323	2.2
209.15372	70.7
212.23174	2.1
223.13232	14.9
227.16441	19.3
229.11810	9.2
247.24699	2.0
267.15976	3.6
305.26862	2.1
313.11874	2.9
353.19507	3.3
372.20282	7.8
373.13861	7.6
390.21198	14.3
415.02905	2.3
472.43198	2.3
552.35156	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	552.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
69.03410	1.5
70.06597	5.1
70.91483	2.6
71.05000	15.6
75.04511	1.4
79.05502	2.5
79.11813	1.2
83.04976	3.7
85.02908	20.8
86.09706	2.5
91.05486	3.6
93.07063	1.3
95.08651	1.4
97.06533	1.4
105.07050	7.1
107.08598	21.9
109.10128	1.2
111.04451	1.7
117.60680	1.1
119.08623	2.7
121.10160	2.8
123.08098	1.4
127.03905	1.7
129.05464	5.5
130.80383	1.2
131.08603	6.1
133.10144	100.0
137.09656	1.5
145.10109	1.9
147.06549	2.9
147.11688	2.8
149.13261	3.1
158.10913	2.8
171.35240	1.4
173.13264	14.8
183.88297	1.3
185.04474	1.5
191.14319	43.8
210.14781	1.2
229.11852	2.2
279.86340	1.2
463.22324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62487	2.1
69.62896	1.2
71.71397	0.6
94.92993	0.9
95.16573	0.5
112.89622	1.2
120.94570	0.7
164.93633	0.8
192.93184	0.6
209.95670	1.3
210.94072	100.0
244.44627	0.6
348.88000	0.6
381.07907	11.4
419.03659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.4
63.86115	0.3
65.03940	1.1
69.03140	0.4
69.03449	3.8
69.69427	1.8
76.03179	0.3
77.03937	0.6
78.81055	0.3
81.03430	2.2
85.02905	1.1
89.03923	0.5
91.05489	20.4
95.05003	0.4
97.02900	1.0
98.21369	0.7
99.48460	0.3
103.05476	0.5
104.31098	0.3
105.03434	0.3
105.07102	0.4
108.05710	0.4
109.02890	0.7
119.04958	30.8
121.06546	0.5
127.03992	1.6
129.03381	0.7
132.02112	1.6
133.02855	0.5
133.10114	0.3
135.04440	0.4
147.04428	27.8
148.04781	0.6
149.02371	1.2
157.03995	3.2
162.03053	0.4
163.04002	0.4
164.04732	1.0
167.03421	1.1
175.03929	50.0
179.07033	2.1
185.04492	3.7
187.31570	0.3
192.04228	0.8
207.06554	100.0
225.07591	1.0
235.06120	0.3
291.08728	0.4
319.22684	0.5
351.10745	4.9
369.11807	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2283
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
53.03953	16.1
55.01857	4.6
55.05523	13.0
57.03437	2.3
65.03940	3.7
67.05505	41.5
69.03423	9.4
69.07053	7.5
71.05018	4.2
71.52978	3.2
79.05496	62.2
81.03419	41.2
81.07060	32.3
83.04987	11.6
83.08620	6.8
85.02904	5.6
85.06529	3.7
91.05488	64.2
93.07046	92.2
95.04977	17.2
95.08602	17.6
97.02893	18.1
97.06521	5.6
99.04480	5.9
101.43495	2.4
103.05488	3.4
105.04484	2.9
105.07037	37.4
107.04969	7.0
107.08598	14.9
109.02888	69.4
109.06532	8.7
111.04465	5.0
111.08054	3.3
117.07035	9.8
119.08584	22.4
121.02847	3.2
121.06517	3.6
121.10165	5.5
123.08098	6.2
127.03928	63.2
129.06984	22.2
131.08600	4.2
133.06468	2.3
133.10133	7.6
143.08585	12.4
145.04893	3.2
145.10136	13.7
147.11696	64.3
155.03400	2.8
159.11734	3.9
161.09636	8.1
161.13264	10.3
163.11250	5.2
167.03375	8.9
168.54416	2.5
169.10176	2.6
171.11720	43.3
185.04459	34.5
187.11148	2.5
189.12753	25.1
198.69838	2.4
205.04764	2.5
207.13809	100.0
225.14876	6.8
241.14409	2.6
249.08246	2.3
281.25769	2.8
315.15851	7.1
331.15533	3.0
333.16992	8.4
351.18234	12.9
463.26102	2.7
553.28979	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	554.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30604	1.2
51.62853	1.2
53.03952	1.5
55.01882	2.5
55.05268	2.4
55.05516	30.0
57.03439	6.8
57.07082	10.9
67.05511	13.8
69.07071	30.2
71.04989	3.2
71.07596	1.9
71.07935	1.3
71.08639	6.4
79.05502	17.3
81.07069	16.4
83.04990	3.2
83.08624	27.3
85.10207	3.2
91.05475	6.7
93.07048	23.6
95.04965	3.8
95.08609	24.7
97.02886	1.9
97.06547	4.0
97.10166	15.4
99.04458	2.3
105.07040	5.6
107.04952	4.1
107.08600	21.2
109.10154	3.3
111.08074	1.9
111.11720	3.5
117.07053	7.1
119.08591	6.6
121.06533	3.0
121.10143	10.4
125.06025	1.9
125.09652	1.5
133.10155	1.9
135.08057	1.9
135.11696	35.4
139.07573	1.6
145.10123	18.0
163.11195	39.9
168.88074	1.2
173.09793	1.6
181.12262	5.1
209.11557	1.8
227.12796	42.0
229.09026	1.3
283.15414	32.9
311.25800	92.7
340.36771	1.6
519.36829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1713
Annotation	Arillanin G
Peak:m/z	Relative Intensity
53.03949	0.4
57.03432	0.5
59.01373	0.4
61.02915	0.4
62.01548	0.3
67.05505	0.3
67.92712	0.2
69.03424	1.0
70.06577	0.2
70.10432	0.6
70.10841	0.7
75.28896	0.3
79.05502	1.1
81.03423	1.3
81.07054	0.3
85.02908	3.4
87.04499	0.3
91.03964	0.4
91.05470	0.9
93.07034	0.4
95.04990	0.4
97.02888	1.3
103.05409	0.4
104.89021	0.3
105.07018	0.8
107.04968	1.8
109.02879	1.0
117.03412	0.3
119.04978	0.3
121.02869	0.3
127.03936	0.6
131.08557	0.3
133.06497	0.4
135.04474	0.5
137.05981	1.3
139.03899	0.6
145.02858	1.0
145.04945	0.6
145.10121	0.3
147.04401	0.7
149.02324	0.8
150.06764	1.0
151.03883	1.5
152.04691	7.3
155.03401	0.8
163.03935	0.5
163.40482	0.2
167.03421	2.5
167.07050	100.0
168.07367	0.6
173.02338	0.6
177.05475	0.7
183.02893	1.0
185.04466	22.3
191.03442	0.5
207.06487	0.5
209.04579	1.2
209.08102	41.1
219.02873	0.8
237.03947	2.9
269.06552	1.6
292.48721	0.3
314.01239	0.3
323.09180	0.3
333.09583	1.5
333.13358	0.5
340.09262	0.4
347.09732	0.9
361.09247	2.8
393.11694	0.5
393.22476	0.3
420.46957	0.3
461.35614	0.3
555.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	1.7
55.02089	0.3
55.05513	4.3
57.03429	1.1
57.07064	0.6
67.05180	0.5
67.05508	6.0
69.03432	2.1
69.07066	2.8
69.97063	1.2
71.04999	1.6
73.02916	0.6
79.05498	9.7
81.03423	7.5
81.06588	0.5
81.07061	8.1
83.04972	1.1
83.08624	3.5
85.02900	1.1
89.12866	0.3
89.49599	0.3
91.05487	2.9
93.07047	15.0
95.04971	2.7
95.08611	17.1
97.02885	3.2
97.06517	1.1
97.10144	0.5
98.21420	0.5
99.04460	3.0
105.07024	2.6
107.04964	4.0
107.08602	10.8
109.02882	7.6
109.06493	0.8
109.10153	1.2
111.04441	0.9
111.08061	0.8
113.09679	0.4
117.07027	4.3
119.07823	0.3
119.08599	4.0
121.06502	2.4
121.10143	5.2
125.05977	1.4
127.03929	8.5
130.07782	1.0
133.10127	1.5
135.08055	1.1
135.11700	22.8
139.03848	0.3
139.07521	0.9
145.10127	12.6
149.02315	0.3
153.12779	0.7
161.09578	0.4
163.11186	31.0
167.03432	1.5
173.09674	0.7
181.12238	5.8
185.04477	3.8
197.13226	0.3
206.14906	0.3
209.04379	0.7
209.11763	1.9
221.04338	0.4
227.12790	100.0
228.13193	0.4
241.03619	0.4
249.21654	0.3
251.05635	0.6
269.13864	0.5
275.05508	0.3
281.13803	1.4
293.29562	0.4
335.15039	1.5
353.15991	9.3
371.16956	0.8
409.28543	0.3
483.75253	0.3
555.16425	0.3
555.31110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2789
Annotation	Leucine Enkephalin
Peak:m/z	Relative Intensity
53.03943	2.8
55.01865	1.9
55.05499	4.8
57.03419	2.0
57.07083	1.7
58.99588	2.8
61.01147	1.5
65.03942	1.6
67.05509	7.7
69.03424	5.6
69.07065	9.7
69.83817	6.5
70.02945	1.6
70.06593	3.8
71.05003	16.8
74.00665	5.2
75.37971	1.6
76.02215	2.5
79.05496	11.1
81.03418	2.5
81.07074	18.3
83.04969	2.3
83.08616	2.9
85.01135	2.4
85.02907	14.3
85.06546	2.6
86.00646	3.4
86.09701	2.2
86.99088	2.1
88.02227	26.8
88.03984	8.0
91.05494	9.9
93.07050	25.2
95.08611	19.7
96.08118	3.0
97.02876	4.1
97.06537	2.1
97.10176	3.2
98.21436	3.2
99.02679	4.2
99.08067	2.4
100.02190	3.1
101.04243	2.1
104.76758	1.4
105.07034	25.9
107.08599	32.4
109.02854	2.7
109.06555	3.0
109.10155	20.2
111.02665	11.1
111.08070	1.7
113.04246	2.8
115.02166	1.9
117.03671	1.6
117.06998	5.0
119.08584	21.8
121.10152	26.5
122.02726	6.3
123.08132	1.7
123.11723	7.1
125.04240	2.4
125.09643	12.0
127.02119	2.3
127.03908	2.7
127.11180	6.0
129.03683	1.8
131.08589	8.1
132.01172	10.4
133.10133	55.5
134.02715	22.9
135.08052	2.0
135.11710	14.3
137.04222	1.8
137.09602	2.2
139.11192	1.8
143.10657	10.0
144.09404	1.6
145.04984	2.0
145.10153	22.9
146.02679	2.4
147.11684	18.6
149.04245	1.4
149.09625	2.2
149.13258	16.1
151.05844	2.1
151.11176	5.0
153.12784	3.6
154.06885	1.7
157.10115	3.1
159.11699	21.5
161.09673	1.7
161.13243	5.3
163.05768	1.5
163.11169	3.6
165.07326	5.4
165.12708	2.7
167.08957	2.0
172.04294	2.8
173.02696	4.9
173.13268	5.5
175.14687	1.9
177.16380	3.2
181.10464	2.0
186.05879	2.3
187.04201	2.8
189.16371	3.9
191.18027	1.9
192.72084	1.4
200.07425	6.3
201.16388	28.2
204.06956	2.7
217.15996	2.3
219.17430	21.7
233.13521	1.7
237.18399	1.8
238.12863	1.5
251.14633	7.5
253.16229	2.2
269.15668	5.8
277.16452	1.7
287.16672	2.3
294.18936	3.5
312.20096	3.3
320.04333	1.8
322.18283	7.0
323.16742	2.3
340.19437	68.4
355.28342	1.4
358.20474	100.0
376.21552	57.3
394.22610	64.5
493.60480	1.8
498.32959	1.4
520.25525	5.1
538.27087	9.6
556.19104	1.5
556.27814	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05508	11.1
57.03432	6.8
57.06837	2.1
57.07079	34.0
67.05515	14.3
69.07082	10.0
70.06591	13.2
70.13584	1.7
71.04993	2.0
71.08637	21.7
73.02911	1.7
77.46462	1.4
79.05486	12.0
81.07061	17.9
83.08614	9.8
85.10162	11.0
86.09708	2.3
87.04443	1.9
88.07631	5.2
89.06024	16.5
91.05481	5.0
93.07059	19.4
95.04964	3.0
95.08607	31.8
97.06548	3.3
97.10157	2.2
102.09178	3.3
105.07034	3.8
105.28445	1.7
107.04964	4.3
107.08602	12.6
109.10146	5.7
117.06999	5.2
119.08596	6.1
121.06507	2.6
121.10172	7.9
123.11683	2.1
132.10167	4.1
133.08614	5.5
133.10097	1.7
135.11691	29.8
137.97960	1.6
139.07497	2.1
145.10126	16.0
146.11752	5.9
159.11812	1.5
163.11189	32.1
164.00096	1.6
177.11255	3.8
181.12259	6.4
227.12796	49.8
256.26398	11.1
283.15421	50.7
283.26318	46.3
300.28961	24.5
311.29477	4.0
313.27380	78.8
318.29968	2.4
371.22998	4.0
469.46973	1.9
507.01746	1.6
517.42584	1.8
521.38367	61.3
522.38715	2.3
556.53003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02915	2.4
69.03429	4.5
71.51807	2.7
82.99847	4.6
85.02901	7.4
97.02884	4.5
101.00893	34.5
103.02438	3.0
105.81156	2.1
107.39027	1.9
109.02882	4.4
113.00887	6.5
115.02365	2.7
119.01926	54.3
127.02426	13.5
129.03993	3.7
131.01906	26.7
133.03491	8.4
135.05067	3.0
137.02916	3.4
139.02406	2.7
141.03986	6.7
143.01907	34.9
145.03484	60.2
147.01384	2.7
149.02971	3.0
152.05675	3.3
155.01909	31.5
157.03481	14.5
159.05034	28.4
161.02962	46.0
163.04662	10.5
167.01903	15.1
169.03481	57.1
171.01414	5.7
171.05067	11.8
173.02985	36.2
175.04620	3.2
179.01904	5.7
181.03481	7.1
183.05060	3.4
185.02969	54.7
187.04530	82.1
189.02432	20.0
191.04099	2.7
195.01430	3.5
197.02962	23.7
199.04544	20.5
201.02457	4.0
201.06078	4.0
203.04018	21.9
205.03627	2.2
207.03546	3.3
209.02931	2.6
210.06125	4.9
211.04529	19.6
213.02429	22.0
213.06020	4.2
215.00577	2.4
215.04008	14.0
217.05667	4.1
220.06898	6.2
221.03107	4.9
221.05124	6.5
223.04570	5.7
225.02501	7.8
227.04066	11.8
229.05576	7.9
231.03529	33.7
237.02388	2.3
239.03934	4.6
243.03557	4.1
245.05095	100.0
257.01389	10.6
257.05090	4.8
263.06052	15.9
271.06683	22.8
273.04544	5.7
275.02487	82.7
275.06079	22.6
287.02548	25.1
287.05795	4.6
293.03534	16.5
293.06903	3.5
295.08829	5.5
305.03534	19.7
305.07181	8.5
315.05722	12.1
317.03546	5.2
319.04404	2.0
333.06567	7.2
335.04657	32.2
335.08267	4.3
341.03574	8.3
359.04614	21.9
365.09250	9.2
377.01154	3.9
377.05670	63.7
395.06735	93.7
439.12836	7.4
442.21091	2.4
455.98090	2.2
539.10999	12.0
557.11920	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80513	0.5
53.03935	0.6
55.05501	1.5
64.24266	0.4
67.05511	2.5
69.03408	0.8
69.07053	1.1
71.52605	0.5
78.04705	0.5
79.05474	1.8
81.03421	5.4
81.07054	2.6
82.10830	0.5
83.04964	0.6
85.02901	0.7
89.03917	6.7
91.05493	2.4
93.07035	1.6
95.04955	1.3
95.08589	1.4
97.06546	1.1
99.04459	2.5
103.05429	0.7
105.07024	1.5
107.08580	1.5
109.02882	5.2
109.06547	0.6
117.03384	18.2
117.07017	1.0
119.08588	1.0
121.10172	0.6
127.03925	2.9
129.07048	0.7
131.08578	1.2
131.73836	0.5
133.10130	1.3
134.03596	1.6
135.04398	1.1
145.02852	44.9
145.10117	0.8
145.46408	0.6
149.05968	5.5
163.03912	0.5
169.04970	13.7
172.28656	0.5
175.11189	0.7
177.05473	100.0
185.04469	2.0
186.05493	1.6
227.12828	0.8
228.13173	0.9
259.09610	0.6
267.16104	0.6
273.18411	0.6
285.07510	2.7
289.14279	0.7
303.08600	4.2
317.14517	0.5
345.09711	3.9
355.17410	0.7
539.33881	0.9
557.32843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.9
55.01875	5.6
55.05525	12.1
57.03437	5.5
58.64664	2.0
59.54274	1.7
61.02932	5.0
65.03976	2.2
67.05515	15.1
69.03439	20.7
69.07073	4.8
69.85125	5.8
69.85535	4.7
70.06599	11.1
71.01363	4.0
71.05000	7.1
72.84483	1.7
73.02906	2.9
77.62660	1.8
79.05505	26.0
81.03428	37.1
81.07056	15.1
83.01409	1.8
83.04971	3.7
83.08633	7.1
85.02444	2.8
85.02924	37.0
85.06579	2.6
87.04471	2.3
91.05477	20.0
93.07059	19.7
95.04971	10.5
95.08611	8.8
97.02905	16.4
97.06562	3.4
97.10184	7.8
99.04478	7.0
105.03386	3.4
105.07040	12.3
107.04955	9.5
107.08619	11.6
109.02873	12.5
109.06556	3.7
109.10166	5.1
111.04469	1.9
111.08122	2.4
113.02408	4.5
119.04961	5.2
119.08595	8.4
120.08124	6.3
121.02881	2.3
121.06537	3.6
121.10165	8.1
123.04459	11.2
123.08094	4.0
125.09653	4.8
127.03942	13.4
129.07011	7.7
131.04994	2.2
131.08588	9.8
133.02872	2.3
133.06491	4.9
133.07475	1.8
133.10139	4.5
135.04480	2.8
135.11783	2.6
137.02432	2.5
139.03915	8.3
139.11232	2.9
143.03470	2.4
143.08580	4.7
145.04991	4.8
145.06512	4.1
145.10158	6.3
147.04424	11.2
147.08072	3.9
147.11710	9.0
149.09618	6.5
151.03931	6.2
153.01932	2.2
155.03406	22.5
155.08521	2.3
157.10181	2.5
159.04343	2.6
159.08022	2.9
161.06010	3.9
161.13335	2.1
163.03955	8.0
163.11258	3.7
163.18365	2.0
165.05505	5.3
167.03386	4.7
167.07217	2.9
169.05031	7.2
171.11711	7.8
173.06056	2.7
175.03975	3.8
175.07652	2.5
175.11217	4.5
177.05527	5.3
179.03419	33.8
181.05000	8.2
183.02994	2.1
184.47679	2.0
185.04482	30.6
185.06030	3.3
185.11790	8.3
187.02403	2.1
187.03952	2.5
189.05515	8.7
189.12782	5.8
191.03383	5.1
191.07088	2.8
192.04230	3.5
193.05061	12.1
193.12279	4.4
195.02951	9.2
197.04491	35.3
197.06126	4.1
199.03891	2.1
199.11140	3.1
201.05490	2.7
203.03448	13.2
203.07057	5.0
205.04999	17.3
207.02969	3.3
207.06584	5.1
209.04510	7.5
211.06038	36.7
211.11255	2.6
211.13226	2.6
213.05437	3.5
217.05060	3.5
217.12303	4.6
219.06546	8.2
221.04430	14.6
223.13313	2.0
225.07727	3.4
227.05554	2.2
229.04950	4.6
229.12352	3.0
231.06509	5.5
233.04463	4.6
235.06099	3.1
235.11308	2.2
235.13231	12.0
247.06033	13.5
249.07733	3.3
253.12233	4.0
257.11829	3.2
265.10706	2.7
271.13428	3.5
273.14957	4.7
275.05685	3.1
277.14447	6.2
289.14270	4.9
291.12320	49.5
295.13272	3.8
299.12772	8.3
301.14386	10.5
313.14609	7.5
317.13885	100.0
319.15546	11.0
323.12903	4.4
329.16086	2.3
331.15402	4.7
333.13498	2.3
335.14902	25.7
337.16458	4.5
341.13922	25.0
351.14392	13.2
359.14938	83.4
377.15997	92.5
395.17145	21.9
395.22409	2.8
395.24146	3.1
425.16019	2.4
443.17020	5.4
485.17834	3.1
503.18976	5.5
521.20142	8.4
557.29218	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	557.3476
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
50.79576	1.0
53.03947	3.6
55.01895	6.0
55.05270	1.4
55.05519	23.9
57.03430	3.1
65.03962	1.4
67.05510	30.7
69.03433	7.3
69.07073	16.9
69.41832	6.7
71.04999	1.6
74.64631	0.9
77.35490	0.9
79.05501	29.6
81.03428	38.3
81.07066	21.5
83.04987	5.8
83.08629	13.2
85.02921	1.5
85.06559	1.8
91.05489	25.6
93.07051	18.1
95.04980	18.4
95.08625	10.1
96.83633	1.0
97.02896	7.8
97.06541	3.2
97.10181	14.1
105.07040	18.3
107.04973	10.7
107.08614	12.2
109.06565	5.1
109.10164	9.4
111.04450	1.8
111.08102	3.4
115.05459	2.3
117.07006	10.2
119.05013	1.8
119.08593	15.8
121.06505	6.1
121.10160	7.6
123.08089	2.7
123.11729	1.6
125.09652	8.9
128.06248	2.2
129.07036	8.4
130.07814	1.1
131.04907	1.3
131.08591	12.3
131.53842	1.0
133.06506	4.2
133.10141	8.5
135.08049	7.1
135.11717	3.2
137.09622	2.4
141.07048	1.4
143.08586	4.6
145.06480	4.4
145.10133	7.9
147.08051	6.1
147.11734	3.9
149.06075	1.0
149.09610	4.4
153.09119	3.2
155.08566	2.8
157.10161	5.6
159.08083	2.7
159.11725	4.2
161.09666	3.2
161.13326	1.4
163.11172	2.8
165.09129	1.7
167.08620	1.4
169.10126	2.1
171.08022	1.9
171.11714	2.7
173.09633	2.1
173.11874	1.0
173.13324	2.3
175.11232	5.6
177.12790	1.8
183.11757	3.2
185.09729	1.7
185.13271	1.9
187.11226	2.3
187.14867	1.6
189.11220	5.8
191.14445	1.3
191.68875	0.9
193.12267	7.8
195.11697	1.1
199.11220	1.4
201.12819	1.6
205.12392	2.9
209.13187	1.1
211.11252	1.7
219.13840	8.6
221.15419	1.1
223.13284	8.6
227.12666	7.2
231.13913	1.0
249.14984	2.9
253.14330	2.0
255.17570	1.6
267.16058	2.3
271.17001	1.5
273.18472	8.9
275.20267	1.9
287.20050	2.1
289.18124	1.1
291.19574	46.6
295.20801	1.1
313.21680	6.1
315.19647	1.3
347.22318	2.1
371.22113	1.5
387.25436	1.3
445.25684	5.7
447.22455	1.5
447.29016	2.9
459.27377	1.7
465.29947	4.3
483.31284	3.9
539.33771	22.3
557.34784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.348
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03942	3.0
55.01887	6.3
55.05270	1.9
55.05518	20.6
57.03423	3.9
61.66468	0.9
61.77124	0.9
65.03936	2.3
67.05512	29.5
67.62708	0.8
69.03444	6.0
69.07078	14.4
69.99195	3.9
71.05002	2.2
79.05498	26.3
81.03428	32.5
81.07060	23.0
83.04989	6.7
83.08633	12.3
85.06536	1.8
87.61018	1.0
91.05492	25.1
93.07048	17.2
93.61809	0.9
94.79120	0.9
95.04978	16.7
95.08614	11.6
97.02901	5.3
97.06542	3.3
97.10178	12.5
105.07047	17.2
107.04978	9.4
107.08599	14.8
109.02942	1.2
109.06538	4.7
109.10161	8.1
111.08112	2.7
115.05470	2.6
117.07037	8.4
119.04956	1.4
119.07787	1.8
119.08590	16.2
121.06540	5.5
121.10147	6.3
123.04482	1.0
123.08084	3.9
123.11706	2.0
125.09644	8.8
128.06218	1.7
129.07013	7.5
131.04959	1.5
131.08566	11.1
133.06529	4.1
133.10155	9.8
135.08078	4.5
135.11705	3.0
137.09671	3.0
141.07007	1.9
143.08583	5.2
145.06519	4.3
145.10129	8.5
147.08080	5.8
147.11705	5.1
147.47784	0.9
149.09619	5.0
151.11247	2.1
153.09100	1.3
155.08574	3.1
157.06551	1.3
157.10129	6.7
159.08104	4.6
159.11676	7.0
161.09677	2.9
163.07445	1.0
163.11203	2.8
165.09204	1.1
165.93562	1.0
167.08571	1.9
169.06401	1.0
169.10184	3.8
171.08057	1.5
171.11787	2.9
173.09721	2.0
173.13243	1.5
175.11220	2.9
177.12788	1.9
183.11722	3.6
185.09712	3.0
185.13264	2.6
187.11232	2.7
189.09346	1.1
189.11264	7.1
191.14265	1.6
193.12225	6.9
195.11803	1.2
197.13176	1.7
199.11223	2.1
201.12875	1.2
205.12234	1.6
211.13252	1.1
219.13818	8.0
223.13309	7.1
227.12747	8.3
253.14394	3.3
267.16101	3.0
273.18518	6.9
275.19952	2.0
287.20050	1.8
289.18320	1.2
291.19577	31.0
295.20615	2.1
297.18604	2.3
313.21594	7.3
315.19647	1.6
331.22946	1.2
347.22314	2.3
365.23486	1.1
367.74509	1.1
429.27960	1.3
445.25797	5.1
447.29044	3.7
459.27634	1.8
465.30096	6.6
483.31033	5.1
501.31662	1.0
539.33765	21.8
557.34851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01875	1.7
55.05513	16.4
57.03440	5.7
57.07097	1.7
61.27082	1.2
62.33361	1.1
67.05504	29.7
67.05834	2.0
69.07062	12.6
71.04996	2.4
71.52534	1.6
79.05496	30.0
81.03428	4.1
81.07060	35.1
83.04988	4.1
83.08627	7.5
85.06557	1.6
91.05486	25.2
93.07050	28.4
95.04984	6.9
95.08611	17.2
97.06555	4.2
97.10198	4.2
101.90544	1.3
105.07032	27.5
105.07687	2.2
107.04966	3.0
107.08607	13.0
107.50964	1.2
109.06557	2.9
109.10177	8.0
111.08074	2.7
115.05496	2.1
117.07003	14.2
119.08582	21.6
121.06497	1.9
121.10133	8.0
123.08093	2.4
123.11697	1.4
125.09652	2.7
128.06284	2.4
129.07001	14.6
131.08569	21.8
133.10132	13.6
135.08083	2.9
135.11655	6.5
137.09694	1.5
141.06981	5.7
142.07750	2.6
143.08562	17.7
145.06526	2.6
145.10120	20.0
147.08081	1.5
147.11684	12.5
149.09607	2.2
149.12158	1.3
149.13332	3.4
151.11229	1.2
153.06932	1.5
154.07748	2.1
155.08540	15.0
156.09396	1.6
157.10141	16.2
159.08069	2.7
159.11687	11.0
161.09673	2.8
161.13222	6.9
167.08549	5.9
168.09436	1.7
169.10146	14.7
170.10965	1.4
171.08131	1.7
171.11708	17.6
173.09682	1.5
173.13271	7.9
175.14957	3.7
179.08565	2.3
179.14339	1.3
181.10112	10.5
182.10922	1.9
183.11725	15.4
185.09682	1.9
185.13303	12.3
187.11256	2.3
187.14876	1.8
189.12788	1.5
193.10214	3.8
195.11703	8.7
197.13254	8.6
199.14925	4.1
201.16542	2.3
207.11761	3.3
207.13680	2.1
209.13336	7.1
211.14960	5.2
213.16371	7.2
221.13295	1.8
223.14893	3.8
225.16554	2.4
231.21147	1.7
233.13437	2.2
235.14873	2.2
237.16443	2.7
239.18132	1.7
241.19713	5.2
249.16504	1.4
259.20618	11.7
259.35739	1.5
270.67548	1.7
279.16052	3.5
281.17331	6.7
285.18521	1.5
287.20035	1.6
297.22150	1.3
307.20700	1.5
311.19888	1.5
321.22476	1.5
323.23828	2.4
333.24500	4.8
335.23807	2.4
337.25497	1.9
349.25168	1.5
353.24719	2.7
419.33408	4.5
429.31671	4.7
437.34320	9.4
447.32654	20.1
465.33688	22.2
483.34784	11.8
501.36008	2.2
521.36279	8.3
527.37372	2.7
529.39032	7.0
539.37347	100.0
557.38593	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01875	1.7
55.05513	16.4
57.03440	5.7
57.07097	1.7
61.27082	1.2
62.33361	1.1
67.05504	29.7
67.05834	2.0
69.07062	12.6
71.04996	2.4
71.52534	1.6
79.05496	30.0
81.03428	4.1
81.07060	35.1
83.04988	4.1
83.08627	7.5
85.06557	1.6
91.05486	25.2
93.07050	28.4
95.04984	6.9
95.08611	17.2
97.06555	4.2
97.10198	4.2
101.90544	1.3
105.07032	27.5
105.07687	2.2
107.04966	3.0
107.08607	13.0
107.50964	1.2
109.06557	2.9
109.10177	8.0
111.08074	2.7
115.05496	2.1
117.07003	14.2
119.08582	21.6
121.06497	1.9
121.10133	8.0
123.08093	2.4
123.11697	1.4
125.09652	2.7
128.06284	2.4
129.07001	14.6
131.08569	21.8
133.10132	13.6
135.08083	2.9
135.11655	6.5
137.09694	1.5
141.06981	5.7
142.07750	2.6
143.08562	17.7
145.06526	2.6
145.10120	20.0
147.08081	1.5
147.11684	12.5
149.09607	2.2
149.12158	1.3
149.13332	3.4
151.11229	1.2
153.06932	1.5
154.07748	2.1
155.08540	15.0
156.09396	1.6
157.10141	16.2
159.08069	2.7
159.11687	11.0
161.09673	2.8
161.13222	6.9
167.08549	5.9
168.09436	1.7
169.10146	14.7
170.10965	1.4
171.08131	1.7
171.11708	17.6
173.09682	1.5
173.13271	7.9
175.14957	3.7
179.08565	2.3
179.14339	1.3
181.10112	10.5
182.10922	1.9
183.11725	15.4
185.09682	1.9
185.13303	12.3
187.11256	2.3
187.14876	1.8
189.12788	1.5
193.10214	3.8
195.11703	8.7
197.13254	8.6
199.14925	4.1
201.16542	2.3
207.11761	3.3
207.13680	2.1
209.13336	7.1
211.14960	5.2
213.16371	7.2
221.13295	1.8
223.14893	3.8
225.16554	2.4
231.21147	1.7
233.13437	2.2
235.14873	2.2
237.16443	2.7
239.18132	1.7
241.19713	5.2
249.16504	1.4
259.20618	11.7
259.35739	1.5
270.67548	1.7
279.16052	3.5
281.17331	6.7
285.18521	1.5
287.20035	1.6
297.22150	1.3
307.20700	1.5
311.19888	1.5
321.22476	1.5
323.23828	2.4
333.24500	4.8
335.23807	2.4
337.25497	1.9
349.25168	1.5
353.24719	2.7
419.33408	4.5
429.31671	4.7
437.34320	9.4
447.32654	20.1
465.33688	22.2
483.34784	11.8
501.36008	2.2
521.36279	8.3
527.37372	2.7
529.39032	7.0
539.37347	100.0
557.38593	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	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01870	0.7
55.05506	0.9
57.03427	1.5
57.07076	0.5
61.02925	2.5
67.01878	0.5
67.05497	1.0
69.03429	4.9
69.07068	0.8
71.04982	1.0
73.02921	0.8
73.09267	0.3
76.67410	0.3
79.05504	1.9
81.03435	2.2
81.07059	4.9
83.01340	0.8
83.08604	0.5
84.04520	0.4
85.02912	14.6
87.04462	0.9
91.03962	0.9
91.05478	1.0
93.07030	0.5
95.08601	0.5
97.02896	4.2
99.04443	1.0
102.26488	0.3
105.07020	0.5
107.04995	0.6
107.33961	0.3
109.02907	1.8
109.10186	0.6
121.06503	0.4
123.04458	1.9
127.03934	2.7
129.12778	0.6
131.04927	0.7
131.08578	0.4
135.04448	0.7
139.03932	0.7
145.04959	2.4
145.05983	0.4
147.04422	0.8
149.05988	0.5
151.03879	2.6
155.03423	1.0
162.02116	0.4
163.03949	2.6
167.03427	0.4
167.07008	0.4
169.04982	5.4
177.05469	1.6
179.03415	8.6
181.04970	10.0
183.02879	1.2
183.08185	0.4
185.04454	1.3
187.03909	0.9
187.07542	0.8
189.29051	0.3
191.03407	0.5
193.04875	0.4
195.06497	0.8
197.04465	45.1
201.09233	0.5
205.04964	3.0
205.08662	1.3
209.04437	2.3
209.08101	1.1
211.06001	1.1
211.07765	0.5
219.10181	1.0
223.06033	5.7
223.09525	1.7
229.08624	0.9
237.11217	0.5
247.09625	3.2
265.10724	100.0
328.19070	0.4
427.16006	3.6
540.26758	0.8
558.28735	1.2
570.67999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91105	0.4
55.05513	0.8
57.07084	3.9
58.06582	1.0
65.03919	0.8
67.05481	0.7
67.64050	0.5
69.03418	0.4
69.07040	0.7
69.45212	1.4
69.45621	1.8
70.06593	16.3
71.08636	3.6
74.80371	0.5
75.15048	0.4
79.05492	1.1
81.03413	0.9
81.07050	0.8
85.02927	0.7
88.07629	19.7
91.05439	0.6
95.08629	0.6
98.21497	0.6
102.09180	12.7
107.08557	0.7
119.08636	0.6
121.02889	0.4
131.04909	0.5
134.10484	0.5
139.76411	0.4
140.45641	0.4
147.04446	0.6
149.02341	37.4
156.17491	0.8
175.03970	0.9
177.05487	0.8
193.04961	43.2
194.95598	0.5
197.04474	0.6
200.20094	42.7
219.06551	0.9
225.05481	0.8
246.60225	0.6
265.10699	1.0
269.04462	1.2
275.17712	0.5
297.03931	1.9
313.06955	2.1
341.06561	8.8
345.38629	0.6
359.07590	6.0
385.09155	44.8
390.41544	0.5
540.25806	0.6
540.75171	0.5
558.26965	100.0
559.27179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13230	2.9
50.48338	3.4
53.03939	13.5
55.01876	8.4
55.05518	34.6
57.03425	8.5
57.07067	11.9
63.97097	3.8
67.05511	93.0
69.03439	48.9
69.07076	21.5
70.06587	13.4
71.04983	8.1
71.08624	7.3
79.05499	62.8
81.02988	5.6
81.03427	72.0
81.07064	100.0
83.04986	9.6
83.08623	15.6
85.02916	34.1
85.06554	5.2
86.67548	3.5
88.07642	23.5
91.05486	54.6
93.07052	82.4
95.04977	14.7
95.08614	66.4
97.02901	38.4
97.06544	6.4
97.10174	5.9
98.21545	7.7
98.99716	3.3
99.04465	10.0
99.08084	4.1
102.09204	20.8
105.07037	47.3
107.04947	7.3
107.08599	41.4
108.04472	6.1
109.02902	19.3
109.06518	8.1
109.10165	34.7
111.04445	12.5
111.08090	6.6
117.07038	22.8
119.08585	35.3
121.06535	5.3
121.10138	37.9
123.11713	12.5
127.03947	19.7
129.05507	5.5
129.07022	10.6
131.08592	35.1
133.06491	4.2
133.10109	28.9
135.08055	9.7
135.11708	27.5
137.13388	4.0
139.11223	5.5
141.06888	4.6
142.07867	3.4
143.08575	9.5
145.06522	5.4
145.10144	33.0
147.11674	24.5
149.09625	3.8
149.13240	10.9
155.08548	9.6
157.06488	5.6
157.10143	12.1
159.07968	3.5
159.11691	30.1
161.13272	18.0
163.11223	4.6
163.14825	6.6
167.06923	4.7
169.10068	5.7
171.11726	12.4
173.13229	17.4
175.14877	6.6
177.12825	4.2
183.11673	5.0
185.13280	12.5
187.14772	9.8
189.12755	5.5
197.13275	3.9
199.14844	6.7
209.13324	5.5
209.15199	4.2
217.20193	3.5
223.14861	5.7
243.20956	4.2
256.26361	55.2
259.20432	10.9
261.22189	26.3
277.14444	4.7
277.21686	10.0
279.23505	4.3
285.22165	5.4
289.21637	9.4
291.23224	7.5
301.21729	8.6
303.23169	16.6
313.21713	5.0
315.23056	7.5
319.22754	6.8
323.24081	4.3
326.47198	3.7
327.23135	10.0
341.24734	6.1
343.22198	4.7
345.24246	6.1
351.23178	10.0
352.64352	3.4
369.24271	35.7
387.25290	38.3
405.26398	38.5
423.27426	12.4
518.09149	4.3
558.43732	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	558.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69673	1.6
53.03957	2.3
55.01868	1.9
55.05518	12.4
57.03445	8.4
57.07082	21.4
63.40755	1.8
67.05514	16.9
69.03446	2.1
69.07069	8.4
69.29050	6.5
69.29470	8.9
71.05009	2.9
71.08649	20.4
74.38337	1.7
79.05499	9.1
81.03429	39.6
81.07061	20.0
83.04996	8.4
83.08627	24.6
85.02917	11.2
85.06513	1.9
85.10206	9.0
85.35617	1.8
91.05490	18.7
93.07052	8.5
95.04971	14.9
95.08627	17.1
97.02910	1.9
97.06513	2.1
97.10185	4.7
105.07031	12.0
107.04951	4.0
107.08621	3.8
109.06552	2.3
109.10155	7.0
111.04512	1.8
111.08110	5.7
119.08620	8.4
121.10184	4.4
123.11729	4.2
129.07033	5.3
129.09161	1.9
131.08545	4.1
133.10141	4.9
135.11768	2.4
137.13205	1.8
147.11734	8.5
157.10170	8.0
175.11240	8.6
193.12265	31.2
211.13321	51.1
238.64598	1.8
256.26489	2.1
267.15863	8.6
284.26672	2.2
285.16965	43.3
313.27374	63.6
367.29114	2.0
393.69696	1.7
465.35596	4.4
505.39072	8.5
523.39978	100.0
558.43646	3.2
558.53809	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	559.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
53.17316	2.1
55.01870	7.4
55.05515	28.4
56.95714	2.8
57.03440	5.5
59.04992	4.8
61.02922	2.6
65.03943	4.6
67.05510	100.0
69.03435	29.1
69.07068	20.4
71.04998	55.0
79.05499	43.6
81.03423	79.0
81.07056	49.0
83.04968	11.0
83.08604	15.0
85.02908	11.3
85.06543	7.4
91.05485	41.8
93.07050	42.3
95.05006	15.7
95.08607	29.4
97.02893	16.2
97.06540	13.5
97.10159	11.9
98.20782	5.3
99.04458	8.8
103.44163	2.4
105.07034	22.8
107.04957	9.8
107.08610	23.2
109.02892	29.0
109.06548	5.7
109.10160	77.1
111.04441	13.0
111.08065	7.3
117.07020	11.6
119.08595	36.6
121.02820	3.3
121.06572	5.7
121.10108	14.5
123.08122	2.8
123.11684	6.7
125.09612	13.8
127.03915	57.0
129.07011	6.9
131.08563	11.3
133.06494	4.7
133.10129	17.3
135.08040	6.1
135.11685	24.7
137.09624	26.8
139.03900	3.6
139.11189	4.1
141.05449	5.2
141.07042	3.7
143.06345	2.5
143.08640	3.8
145.04933	3.2
145.10135	17.5
147.11679	14.2
148.12012	2.9
149.02361	6.5
149.09604	7.8
149.13307	4.4
155.08553	3.1
155.10664	16.9
157.10127	4.6
159.11743	5.7
161.09651	3.6
163.11148	12.1
165.12807	6.5
167.03430	11.1
169.10144	2.7
169.12245	8.5
171.11655	3.0
173.04544	2.5
173.09518	5.0
173.11774	44.3
173.13153	3.5
175.11182	3.1
179.10634	2.9
181.12209	13.5
183.11649	2.9
185.04466	81.0
186.04771	4.3
187.13297	15.1
189.11203	6.1
193.12286	6.6
197.04561	2.7
197.11739	2.7
199.13275	4.0
201.12825	3.2
209.04431	4.2
211.06175	3.0
211.13280	5.8
227.05562	5.8
227.12805	9.2
229.14365	7.5
235.13176	2.9
245.11710	5.1
263.12833	5.6
267.15906	9.7
275.05487	3.4
275.20047	11.9
281.13806	15.4
284.18250	2.6
299.14874	57.8
299.20071	6.0
307.15454	5.2
313.16443	10.7
315.23083	2.6
317.21021	3.8
325.16580	29.0
349.23563	6.8
356.30734	2.4
357.19202	17.7
461.28720	4.0
467.31131	4.8
485.32343	4.1
523.34552	2.7
541.35236	25.1
559.27271	3.7
559.36121	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	559.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48040	3.4
52.58406	3.5
53.03943	10.6
55.01890	3.5
55.05518	31.4
56.53356	3.9
57.03429	14.7
57.07078	4.5
64.23928	3.6
65.03939	5.5
67.05183	6.6
67.05511	94.1
69.07066	15.7
69.32968	8.1
69.33381	21.3
70.11176	3.6
71.04971	4.2
79.05503	95.3
79.37347	4.3
79.92343	3.4
81.03416	9.2
81.07069	94.3
82.10976	3.4
83.04977	21.8
83.08620	13.0
85.06523	5.0
91.04984	5.6
91.05492	73.3
93.06486	5.4
93.07056	100.0
95.04977	16.2
95.08620	58.1
97.06525	7.8
97.10150	4.4
98.21481	6.8
105.07047	48.8
106.10472	4.0
107.04966	6.6
107.08607	36.0
109.06494	4.3
109.10168	20.4
117.07020	18.5
119.08580	31.2
121.10152	21.1
123.08119	4.5
123.11673	6.4
125.09656	3.7
129.07047	19.5
131.08575	18.7
132.60760	3.6
133.10135	20.6
135.11700	11.5
138.47435	3.5
143.08557	9.0
145.10120	16.1
145.66881	3.7
147.11699	36.6
149.13263	8.3
159.11694	6.7
161.09660	3.5
161.13271	13.0
163.14899	3.9
171.11723	25.6
173.13307	9.0
177.37833	3.8
189.12791	10.6
207.13762	27.1
256.26413	6.5
261.22113	10.1
279.15976	4.1
281.17520	80.1
335.25830	43.2
370.94867	3.7
449.33942	3.9
460.48969	3.5
466.62210	3.6
541.39026	93.2
543.30432	3.6
559.39935	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	560.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01874	0.9
55.05513	0.4
55.40074	0.3
57.03456	1.5
61.02937	2.0
67.01868	0.5
67.05523	0.3
69.03441	4.7
70.06602	0.7
70.69816	0.5
71.05010	0.5
73.02918	0.5
79.05511	0.8
81.03431	2.7
81.07073	4.5
83.01347	0.7
85.02917	14.9
85.03439	0.7
86.09711	0.3
87.04478	0.8
91.03963	0.8
93.58715	0.3
95.04996	0.6
97.02904	4.6
99.04465	0.9
107.04892	0.3
109.02898	1.5
112.95215	0.3
123.04465	1.6
127.03954	2.5
129.85359	0.3
133.02838	0.4
135.04407	0.4
135.08109	0.3
139.03905	0.8
145.04964	2.3
145.06622	0.3
147.04405	0.3
149.05916	0.3
151.03958	2.9
153.05515	0.4
155.03398	0.9
159.04485	0.5
159.08040	0.5
161.02385	0.4
163.03961	2.5
163.07541	0.4
167.03416	0.4
169.01418	0.4
169.05000	5.9
177.05502	1.8
179.03430	9.8
181.03391	0.6
181.04967	9.1
182.94510	0.3
183.02975	0.6
183.08040	0.4
185.04407	0.6
187.02415	0.3
187.03909	0.8
187.07568	0.6
193.04922	0.5
195.06555	0.9
197.04482	44.6
201.09143	0.5
205.04979	2.9
205.08517	1.4
209.04521	1.8
209.08153	1.2
211.05995	0.6
219.10207	0.9
223.06055	6.2
223.09578	1.5
229.08675	0.9
237.11250	0.3
247.09688	2.0
265.10739	100.0
266.11078	0.7
427.16153	3.1
463.01166	0.3
546.10095	0.3
560.30780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49244	0.8
53.03945	1.2
55.01861	1.3
57.03416	2.8
61.02908	2.5
67.05487	1.0
69.03147	0.6
69.03426	7.4
69.26232	1.1
69.26630	5.2
70.06598	4.1
71.04981	1.2
72.08085	0.6
73.02911	1.5
80.18697	0.6
81.03391	2.8
84.04482	1.0
84.19697	0.7
85.02438	1.2
85.02906	14.5
86.09708	6.2
87.04476	1.4
91.03961	1.2
97.02893	7.3
99.04454	0.8
109.02876	1.7
116.07047	0.9
119.04927	1.4
124.11232	0.9
127.03907	4.1
134.04605	5.1
137.05920	0.8
145.04921	2.2
147.04431	4.2
151.03925	0.7
152.05647	1.6
158.07185	1.0
165.02301	5.4
165.05476	1.2
169.05025	2.0
170.11777	3.5
175.03931	1.9
181.05452	1.0
182.04967	100.0
185.08270	0.8
193.04962	11.7
194.04961	3.7
197.04420	3.2
200.09273	1.4
205.05411	2.7
210.43365	0.6
211.06018	73.1
216.04665	1.9
219.07021	2.5
231.07025	11.7
235.80461	0.8
248.09669	28.8
265.10715	6.2
266.10721	58.1
275.16095	1.1
283.11743	1.1
286.17520	1.0
373.11295	17.0
380.13849	1.0
383.33643	0.7
398.14993	8.5
427.16058	1.3
428.16010	51.0
460.69730	0.8
560.20245	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30732	0.4
56.05030	3.4
57.05812	0.4
58.06605	0.5
69.07076	7.8
69.51576	0.9
69.51976	2.4
70.06594	75.2
74.06081	6.8
76.60235	0.4
84.04499	1.6
84.08139	0.5
85.02913	0.7
86.09708	100.0
88.03990	5.5
88.07732	0.4
92.85078	0.4
98.97568	0.5
102.05544	0.9
110.02374	0.6
116.07092	4.8
119.04853	0.5
120.08122	1.4
125.07109	12.4
126.05531	0.5
127.89626	0.4
130.04971	0.9
130.08656	0.9
134.08128	10.0
136.03943	0.6
142.12273	0.8
144.06580	2.0
150.05498	0.7
152.10707	0.6
158.89944	0.4
159.08437	0.5
163.87300	0.4
167.08168	4.1
169.09729	0.4
171.07675	5.5
173.09143	2.2
183.14914	6.3
185.09222	21.3
187.14374	1.6
195.07571	1.5
196.06062	19.9
197.12830	0.6
199.10777	5.8
211.14403	2.5
213.08705	17.9
215.13893	6.3
217.08426	0.5
217.11819	6.6
220.14424	2.7
227.10301	0.7
235.12869	8.3
236.64166	0.4
237.02774	0.5
249.11594	0.7
262.15384	0.5
266.14557	2.5
276.17029	0.4
280.16473	1.5
294.17984	0.6
298.17575	3.1
308.16019	4.6
312.19144	3.6
314.13364	1.9
326.17096	24.0
330.16586	0.7
330.20258	1.1
348.21188	0.6
382.19806	0.8
383.19220	0.7
399.22440	2.2
409.20660	6.1
427.21777	20.7
428.19702	0.5
445.25720	0.6
506.25540	0.7
524.27313	5.6
542.27795	1.8
560.29498	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	560.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52539	0.7
53.03937	1.9
55.01870	3.9
55.05515	24.3
57.03451	4.5
59.04995	0.7
61.02912	2.7
67.05183	1.2
67.05512	17.1
69.03440	4.2
69.07056	4.6
69.85765	3.2
70.06557	0.9
71.04973	0.7
73.02915	1.2
79.05073	1.3
79.05498	17.4
81.03432	3.4
81.07063	15.3
81.91488	0.8
82.07370	0.8
82.76705	0.6
83.04972	2.8
83.08620	15.1
84.04472	0.9
84.08126	0.8
85.02903	3.6
85.06528	0.8
86.09682	0.9
91.05487	29.5
92.05814	0.8
93.07045	8.6
95.04955	2.7
95.08630	3.9
97.02888	3.1
97.06545	1.4
97.10177	39.7
101.09653	1.1
103.05494	1.6
105.07035	6.2
107.04953	1.8
107.08601	14.5
109.06544	1.6
109.10136	5.1
110.41969	0.8
111.08078	2.0
115.05457	2.3
117.07028	17.3
119.08588	59.1
121.06494	2.8
121.10139	1.3
123.08078	1.1
125.09634	35.9
128.06218	1.2
129.06995	2.1
131.08569	4.0
133.10139	2.2
135.08051	8.8
137.09592	1.0
141.06946	0.9
143.08551	4.5
143.10675	2.1
145.06505	16.6
145.10115	2.5
147.08073	3.8
147.11693	1.3
149.76675	0.9
151.03906	0.8
153.09102	3.3
155.08600	1.4
157.10095	3.6
159.08041	6.9
159.11630	0.9
161.09593	1.8
163.07574	2.2
169.04999	1.0
169.10112	1.8
171.10172	2.7
171.11542	1.0
173.09647	2.2
179.03375	1.0
183.11641	1.1
186.04813	0.8
187.11295	1.0
189.11224	26.3
197.04465	5.7
225.16451	1.0
227.12802	22.5
243.17450	2.1
245.13902	8.8
253.15901	2.1
267.12366	3.2
271.16943	26.0
275.20007	1.3
276.20599	0.9
289.18005	9.9
320.15872	0.9
345.20624	37.4
363.21667	100.0
525.27289	0.8
542.35602	2.7
560.27118	2.2
560.36414	3.7
568.46204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01862	4.0
55.05517	26.0
57.03447	10.5
57.07077	3.3
65.03924	3.6
67.05510	82.0
69.03439	2.1
69.07079	17.5
71.04998	20.6
79.05502	71.0
81.03416	4.2
81.07064	100.0
83.04996	8.1
83.08637	16.0
85.06571	3.2
91.05489	48.7
93.07053	82.8
95.04971	10.4
95.08617	71.1
95.09104	1.1
95.09246	1.6
97.02878	4.6
97.06522	6.5
97.10152	3.1
99.04469	3.5
99.08099	3.0
105.07039	32.2
107.04935	7.7
107.07871	2.8
107.08601	50.7
109.06509	4.6
109.10156	22.7
111.04472	2.5
111.08092	3.5
113.07796	1.5
117.07027	17.2
119.08598	23.5
121.06501	6.5
121.09330	2.8
121.10159	34.6
123.08073	2.7
123.11711	9.8
124.85432	1.6
125.05981	3.2
125.09650	3.3
129.07007	2.4
130.07834	2.4
130.46547	1.6
131.08586	14.3
133.10150	27.8
135.08070	2.8
135.11699	57.4
135.12730	2.9
137.13231	2.9
139.11127	1.5
143.08540	3.7
145.10138	32.5
147.11719	9.7
149.13286	11.5
151.11145	7.3
153.12686	1.6
157.10246	1.6
159.11714	12.2
161.13297	5.2
163.09866	2.7
163.11197	45.1
163.14835	4.4
171.11644	2.0
173.11969	1.6
173.13272	6.0
175.14877	2.4
179.14317	2.9
181.12268	8.6
183.12047	1.4
183.13797	5.2
185.13318	2.3
187.14854	4.2
195.13823	3.0
201.16492	1.6
209.11687	2.2
227.12802	85.8
243.21051	4.6
253.14323	2.9
257.17578	1.7
259.20663	1.8
261.22208	21.1
267.15796	1.4
277.21490	1.7
278.41284	1.4
279.23160	1.8
283.15427	38.2
283.18564	3.0
291.19470	2.4
292.15607	1.7
317.24829	8.5
335.25833	96.7
365.51199	1.8
437.34186	2.8
448.07587	2.1
457.82239	1.7
511.37253	2.9
517.38879	10.1
529.39069	14.7
542.80444	1.8
543.36798	55.2
561.41815	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01876	3.3
55.05517	17.4
57.03437	8.4
57.07071	1.4
65.03928	2.5
67.05510	49.3
67.14642	0.9
69.03421	2.8
69.07072	11.8
69.25450	6.1
69.25858	1.9
71.05000	7.6
71.08627	1.1
73.02914	1.0
79.05498	44.5
81.03409	2.7
81.07063	52.5
83.04992	4.6
83.08627	13.1
85.06535	2.7
85.28271	1.0
91.05485	21.1
93.07053	59.7
94.65635	1.0
95.04984	7.6
95.08614	56.7
97.02880	4.2
97.06525	4.2
97.10173	2.8
99.04467	2.8
99.08043	1.2
99.21651	1.0
102.51176	1.1
103.05460	1.0
105.07034	17.0
107.04955	8.7
107.08606	42.3
109.06522	1.7
109.10154	15.1
109.46259	1.0
111.04441	1.1
111.08110	1.1
117.07024	11.8
119.07811	1.7
119.08594	17.1
119.21239	0.9
121.06509	5.7
121.10156	22.7
123.08069	1.0
123.11697	6.1
123.26897	0.9
125.05986	2.0
129.06999	2.4
130.07861	1.2
131.08577	9.4
133.10129	10.2
135.08041	2.0
135.11705	49.1
137.13234	1.1
143.08510	1.7
145.10127	30.3
147.11682	4.0
149.09534	1.1
149.13278	6.0
151.11156	1.5
157.10091	1.2
159.11705	7.2
161.13258	3.9
163.11191	50.3
163.14813	2.8
166.14291	0.9
173.13277	3.8
173.77211	0.9
175.14799	1.4
177.16393	1.6
179.14279	1.7
181.12242	10.0
183.13652	1.2
186.05780	1.0
187.14880	2.0
209.11754	1.9
227.12804	100.0
243.21124	4.9
261.22141	19.2
266.29037	0.9
279.23135	1.2
283.15417	56.3
317.24762	8.3
335.25821	74.4
358.74643	1.2
371.89224	1.0
376.38110	1.1
423.24893	1.0
469.32944	1.9
490.81308	1.1
517.38373	1.4
529.39014	2.0
543.36865	48.6
561.39600	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01865	6.8
55.05515	30.9
57.03451	14.0
57.07059	4.9
65.03921	4.8
67.05509	88.7
69.07073	22.8
71.04980	6.5
71.17373	4.4
73.74632	2.2
79.05495	83.9
79.53587	2.4
81.03395	5.6
81.06590	5.1
81.07063	100.0
83.04964	9.0
83.08630	18.1
85.06508	3.7
91.04915	2.6
91.05486	55.0
93.07052	98.3
93.07639	5.4
94.49310	2.4
95.04966	12.9
95.08616	84.5
97.02892	5.0
97.06523	9.8
97.10150	8.3
99.04475	4.4
99.08068	2.6
103.05457	4.9
105.07041	39.9
107.04955	11.6
107.08598	52.4
109.06483	5.6
109.10155	30.8
111.04398	2.8
111.08103	3.3
117.07012	21.8
119.08588	24.2
121.06506	8.5
121.10142	40.0
122.49751	2.5
123.08035	2.5
123.11684	9.7
125.09624	4.1
129.06985	5.7
130.07790	2.4
131.08592	30.9
133.10153	25.6
135.08044	6.2
135.11708	61.2
137.09621	2.9
137.13249	2.8
143.08537	4.8
145.10124	51.9
147.11717	12.2
149.09622	6.3
149.13251	7.5
151.11198	4.1
154.46721	2.3
155.08543	5.5
157.10121	4.3
159.11693	14.0
161.13237	9.4
163.11195	58.2
163.14790	6.2
171.11719	3.6
171.72353	2.2
173.09595	4.5
173.13266	9.6
181.12202	14.4
185.13307	2.7
187.14891	3.4
191.10687	8.1
199.14827	2.5
207.71654	2.3
209.11740	10.0
227.12791	98.7
243.21146	6.7
261.22192	22.6
269.17328	3.8
272.64227	2.7
275.20081	5.8
277.21765	2.6
283.15393	68.8
289.21570	2.4
317.24796	7.7
318.61194	2.2
333.24460	2.5
335.25836	85.8
367.16901	2.2
433.30756	3.3
451.31830	4.8
469.32959	5.0
487.34219	5.4
525.35553	5.2
543.36823	81.3
561.37909	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
52.42527	1.2
53.03935	4.6
55.01860	5.9
55.05272	1.6
55.05514	21.3
57.03440	6.8
57.07077	3.3
59.03624	1.2
59.04995	2.0
65.03920	3.1
67.05509	73.6
69.03420	2.1
69.06731	1.7
69.07067	20.2
70.64057	1.9
70.64397	2.8
71.05007	8.0
71.08617	1.3
79.05497	40.2
81.03389	3.8
81.07062	63.2
83.04972	6.9
83.08624	12.4
85.06522	4.6
87.04465	1.5
91.05485	41.6
93.07048	51.0
95.04985	11.3
95.08611	33.1
97.06564	6.5
97.07058	1.5
97.10184	6.9
99.04427	1.5
99.08088	2.1
105.04559	1.7
105.07040	33.5
107.04975	7.0
107.08610	31.0
107.51780	1.3
109.06509	6.3
109.10167	31.8
111.04429	5.7
111.08085	4.4
113.05991	1.4
115.05451	3.7
116.21335	1.5
117.07030	12.8
119.08593	26.3
121.06480	4.8
121.10154	21.6
123.08074	6.9
123.11739	7.6
123.12459	1.3
125.09613	4.9
126.61462	1.4
128.06229	3.9
129.07027	10.2
130.07838	2.3
131.07597	1.9
131.08572	26.5
133.06511	3.5
133.10138	30.0
135.08041	5.0
135.11688	15.4
137.09584	6.1
139.11137	1.4
141.06967	3.0
142.07861	1.4
143.08580	13.4
145.06470	2.9
145.10143	19.1
147.08057	5.4
147.11694	13.5
149.09607	6.3
149.13303	7.1
151.11159	8.4
152.47372	1.4
153.09067	2.1
155.08522	4.6
155.10623	1.6
157.10086	9.6
158.59134	1.5
159.08029	3.8
159.11713	14.6
161.09659	7.0
161.13272	8.5
163.11131	6.2
163.14847	2.0
165.12737	1.5
169.10115	5.0
171.11737	8.4
173.09604	3.9
173.13316	6.5
175.11172	3.8
175.14841	4.2
177.12782	2.0
179.14249	2.3
181.10028	1.6
183.11644	4.6
185.13254	6.9
187.11159	4.0
187.14774	3.3
189.11198	2.3
189.12721	3.3
191.14186	1.7
197.13269	4.8
199.14746	3.6
201.12703	2.2
201.16428	1.8
203.14307	3.3
207.13783	1.5
209.11678	13.5
209.13382	2.2
211.14845	1.6
213.16452	1.8
215.14307	2.3
223.14864	2.3
225.16382	2.3
227.12755	5.6
227.16473	3.9
229.14386	8.9
249.14876	1.5
250.27374	1.6
253.14250	3.5
255.21222	2.0
257.18948	2.3
259.20609	3.2
261.22156	3.7
271.20441	2.4
273.22122	6.6
275.19958	4.1
277.21585	3.8
283.15314	4.2
289.21616	4.0
291.22961	2.0
297.22122	2.6
299.20135	3.2
301.21594	4.6
312.36432	1.5
313.21588	2.2
315.23239	16.7
317.21097	7.9
317.24530	2.0
319.22803	1.6
327.23077	1.9
331.22684	2.1
333.24469	2.0
335.25928	1.9
353.24829	2.5
373.23694	6.2
389.26849	5.4
391.24832	2.4
393.26996	1.7
415.82364	1.5
433.30930	6.5
451.32114	13.6
469.33081	11.7
487.34067	7.3
506.70395	1.5
507.33954	1.7
515.37329	2.7
517.38568	3.7
523.96130	1.4
525.35693	23.5
529.38849	1.9
543.36829	100.0
561.37744	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03951	6.6
55.01872	2.4
55.05514	20.9
57.03442	4.4
57.07064	2.3
59.04992	1.4
60.67891	0.6
61.02937	1.0
62.23678	0.8
65.03928	3.8
67.05510	73.6
69.03419	2.0
69.07074	17.8
69.15905	1.8
69.16321	6.2
71.04998	42.9
77.03928	1.6
79.05499	53.6
80.57386	0.7
81.03431	1.4
81.07063	92.2
83.04987	9.3
83.08625	11.3
85.06544	6.2
87.04460	1.1
91.05488	54.5
93.07052	61.2
95.04974	6.5
95.08615	34.3
95.09241	0.8
97.06546	9.0
97.10172	1.9
99.08095	1.8
101.06051	0.9
103.05515	0.9
105.04531	1.6
105.07035	34.5
107.08600	29.2
107.54427	0.8
109.06541	3.0
109.10159	16.5
111.08103	4.2
117.07027	10.2
119.08588	15.9
121.10153	21.6
123.08087	2.0
123.11723	15.1
125.09624	1.6
128.06316	0.8
129.07013	2.8
131.08574	16.7
133.10136	31.2
135.11697	13.7
137.09650	0.9
137.13312	1.0
139.11270	1.2
143.08600	1.7
145.10136	8.3
147.11691	5.4
149.09668	1.0
149.13263	11.0
149.14380	1.0
151.11198	9.9
155.08597	1.0
157.10159	3.3
159.11702	13.1
161.13295	5.8
163.14833	2.2
165.12701	0.9
167.14355	1.4
169.10152	0.9
171.11697	2.8
173.13249	5.3
175.14836	2.3
177.12811	3.3
183.11601	0.9
183.12016	1.0
183.13824	16.6
185.13321	1.9
187.13309	2.2
187.14835	1.5
187.46014	0.8
195.13794	6.6
199.14841	0.9
209.15363	1.2
227.16333	1.8
229.19606	0.8
243.21190	1.0
253.18089	1.9
257.17474	1.4
259.20844	1.6
261.22186	4.4
269.17593	2.9
271.20737	0.9
283.19183	2.2
285.17111	4.6
289.21771	1.3
315.23053	1.0
317.24857	2.1
335.25986	1.2
349.27643	1.1
361.27484	3.0
363.25339	3.7
437.34424	2.4
455.35617	1.1
485.36218	1.3
511.37885	1.6
517.38953	27.8
517.46680	1.3
529.38947	30.1
561.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
52.57697	0.9
53.03953	5.9
55.01875	3.4
55.05267	1.7
55.05516	24.2
57.03182	0.9
57.03441	5.2
57.07080	3.0
59.05021	1.5
60.12855	1.1
65.03947	3.1
67.05509	84.0
69.03448	2.7
69.07072	17.5
70.14188	0.9
71.04998	43.8
76.57999	0.8
77.03957	1.0
79.05499	57.7
81.03426	2.0
81.07061	96.0
83.04994	8.7
83.08620	11.1
85.06544	6.3
91.04903	1.9
91.05488	53.0
93.07050	61.7
95.04976	7.1
95.08615	43.8
97.06532	8.0
97.10182	4.0
99.08108	2.8
105.04565	2.2
105.07037	36.1
107.04983	1.3
107.08599	37.0
109.06515	5.2
109.10161	19.1
111.08103	3.5
111.64296	1.0
113.06006	1.0
115.05486	1.4
117.07027	13.0
119.08587	19.7
119.09372	1.7
121.06547	1.2
121.10150	23.4
123.08099	1.9
123.11724	16.0
125.09644	2.9
129.07050	2.7
130.07790	1.1
131.08580	20.8
133.10136	29.3
135.08119	1.0
135.11699	18.5
137.09618	1.6
137.13333	1.6
143.08604	3.3
145.10149	12.7
147.08054	1.0
147.11716	8.8
149.09677	1.7
149.13264	10.7
151.11198	11.5
157.10184	4.3
159.11708	13.8
161.13249	7.3
163.11177	5.2
163.14893	1.2
165.12767	1.4
169.10094	1.5
169.12318	1.3
171.11737	4.7
173.13245	5.3
175.14905	2.9
177.12775	3.7
179.14352	1.3
181.12268	2.1
183.12012	1.4
183.13823	14.1
185.13344	3.1
187.13344	2.3
187.14914	3.3
195.12155	1.0
195.13843	6.0
199.14857	2.3
201.16418	1.4
213.14789	1.6
222.70651	1.0
227.12741	6.4
227.16443	2.1
243.21115	1.6
248.01892	1.0
253.18001	2.8
257.17380	1.0
259.20697	1.3
261.22107	5.2
269.17627	3.5
275.20108	1.2
283.15485	2.7
283.19092	3.3
285.16956	3.3
289.21735	2.1
303.23352	1.3
317.24646	1.3
335.25833	10.1
361.27417	2.3
363.25470	2.6
377.26956	1.1
426.20123	1.1
437.34293	4.1
455.35248	2.2
511.37872	3.1
517.38989	22.4
529.38904	39.9
543.36584	5.3
561.41589	100.0
569.81702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03944	5.1
55.01873	2.1
55.05513	18.2
57.03434	2.8
57.07072	2.5
59.05010	1.5
63.02346	0.7
65.03952	5.3
65.24918	0.8
67.05508	78.5
67.17934	0.8
69.03429	3.1
69.07072	16.6
71.04996	49.6
73.02899	0.8
73.06162	0.7
73.06567	0.9
77.03938	1.3
79.05497	56.6
81.03414	2.0
81.07062	89.7
83.04982	9.5
83.08631	9.3
85.06545	5.6
87.04462	0.8
91.05486	58.7
93.07050	58.2
95.04410	1.3
95.04970	6.9
95.08611	38.2
97.06542	7.8
97.10163	3.6
98.21532	1.4
99.08102	2.2
105.04517	2.1
105.07037	32.3
107.04992	0.8
107.08603	31.5
109.05790	0.9
109.06524	3.3
109.10162	14.5
111.08112	4.0
115.05496	1.1
117.07024	9.8
119.08597	11.9
121.06539	1.1
121.10149	21.4
123.08076	2.4
123.11720	16.5
125.09637	1.1
129.07042	1.5
131.08577	15.8
133.09131	1.4
133.10135	27.2
135.08099	1.5
135.11694	14.1
139.11192	0.9
143.08597	1.3
145.10133	6.8
147.11679	5.5
149.09677	1.2
149.13278	11.4
151.11205	11.6
151.12395	1.4
157.10133	2.0
159.11699	11.3
161.13272	4.9
163.14833	2.1
167.14354	0.9
169.12325	2.0
171.11696	1.6
173.13232	3.5
175.14825	1.7
177.12766	5.4
183.13821	18.2
183.15329	1.1
185.13330	1.2
187.13361	2.3
187.14883	1.5
195.12123	1.2
195.13812	6.8
199.14841	1.0
203.28310	0.7
227.16458	2.2
243.21208	2.6
244.75432	0.8
251.16016	0.8
253.17964	0.9
257.17578	1.7
261.22275	4.5
269.17496	2.6
283.19128	3.0
285.17041	3.5
289.21918	1.0
317.24948	0.9
329.49136	0.7
335.25977	1.8
349.27380	1.6
361.27521	2.7
363.25339	2.4
485.36319	1.0
493.69037	1.0
517.38922	28.2
525.36066	0.9
529.38824	15.1
529.46106	1.2
543.36823	2.3
561.41565	100.0
562.40961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.05511	3.0
56.05033	1.2
61.02937	1.2
61.97590	0.7
67.05515	4.1
67.49436	0.7
69.03419	1.9
69.07082	1.6
69.42708	5.7
70.02970	1.0
70.06593	2.8
71.04990	1.2
72.08160	1.1
76.02226	1.1
79.05501	2.0
80.05030	0.9
81.03442	1.2
81.07062	4.2
82.06566	1.4
83.06136	4.1
83.08642	1.4
84.04516	16.3
84.08142	1.0
84.97476	1.0
85.02921	2.9
86.00641	0.9
86.09735	3.0
86.58884	0.8
86.99078	0.9
87.08099	1.1
91.05497	3.4
93.07044	2.8
94.06625	1.0
95.08618	2.1
96.04538	1.0
97.01115	1.3
98.00614	0.8
98.06007	1.1
99.05588	2.5
100.02278	1.6
102.05575	1.2
105.07038	1.8
107.08614	1.9
109.06529	0.8
109.07646	2.6
112.02225	2.5
113.00608	1.1
116.01723	2.1
116.36763	0.7
117.07037	1.2
119.04982	1.3
119.08622	1.1
120.08144	1.1
121.71698	0.8
123.02687	1.8
124.02169	1.8
126.00137	1.5
126.03763	2.0
126.98560	1.6
129.06557	2.1
130.05025	4.7
131.08562	2.1
132.08113	1.0
133.10132	1.5
135.05528	1.4
135.08003	1.1
136.02214	1.0
136.03943	3.4
137.00566	2.3
138.03717	1.8
140.01678	1.6
141.00017	1.4
142.03271	1.0
145.06148	2.3
145.10083	1.1
147.04405	4.7
149.09641	1.8
150.03761	1.0
151.02052	0.9
152.01665	8.3
153.00064	1.5
153.06602	3.0
153.99605	2.7
154.03223	1.5
155.08232	3.1
158.11766	2.3
159.08008	1.0
161.09669	0.9
163.03918	1.3
163.05832	1.2
164.01665	13.0
165.00070	10.6
165.02452	1.3
166.03294	3.4
170.02730	1.9
178.03210	4.6
179.01653	3.4
180.01006	1.1
180.04863	1.1
181.06096	2.6
182.02861	0.8
189.07387	1.8
192.04669	0.9
193.06165	1.3
197.04398	1.8
199.07184	2.7
206.10020	2.7
207.08482	1.7
209.04018	1.4
209.06189	2.0
211.05922	1.4
216.08455	2.4
217.06877	1.8
219.04709	1.1
220.07956	0.9
221.04031	1.7
234.09525	8.9
235.07848	8.9
236.11108	1.9
238.08989	1.5
244.07919	7.4
245.06380	2.7
252.10439	5.1
255.04518	1.0
262.09015	14.7
263.07352	12.8
264.10580	2.4
265.10837	2.9
274.08896	1.8
280.10083	13.4
281.08490	2.5
290.08423	1.1
291.11768	1.1
294.11642	3.4
295.09967	2.3
298.11057	3.3
301.10037	3.1
308.09509	5.5
309.12683	1.5
312.12653	9.1
313.11292	1.3
319.11148	7.6
322.11008	1.6
330.13727	3.9
337.12167	26.0
345.12714	1.1
346.11172	5.4
347.11047	1.3
355.13297	8.1
365.11642	9.5
369.14807	5.0
383.12778	20.3
392.11823	2.3
397.14471	5.1
401.13831	3.7
409.14371	2.0
415.15381	100.0
416.15805	1.3
431.12936	1.5
437.13474	1.1
441.16705	1.4
449.13995	1.4
487.17432	17.0
530.17987	4.0
544.19214	2.0
545.18347	1.8
562.20496	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.80720	0.7
55.01872	1.3
57.03423	1.5
61.02919	3.8
67.05496	0.7
69.03436	7.9
70.06568	0.9
70.11443	2.3
71.04974	0.8
73.02898	1.1
81.03421	3.7
81.07083	0.9
83.01328	1.1
85.02913	22.1
87.04451	0.9
91.03946	1.0
91.05498	0.8
97.02892	7.7
97.14271	0.7
99.04405	1.0
99.50549	0.8
109.02859	2.3
119.04954	0.8
119.08551	0.7
123.04427	3.5
127.03927	3.6
145.04962	4.0
147.04411	3.5
147.39275	0.7
151.03908	7.8
165.05444	1.4
169.04974	12.7
175.03828	1.2
179.01843	1.1
179.03409	19.2
179.04935	1.3
181.04962	0.8
183.06471	1.4
193.04927	6.6
197.04466	100.0
198.04768	1.0
211.06029	47.7
248.78072	0.6
259.78116	0.7
265.10754	4.9
267.12296	75.0
268.12640	0.7
373.11365	10.0
429.17523	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	562.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.1
55.21492	0.5
56.23393	0.6
57.03437	1.1
57.07081	5.2
61.02930	0.8
69.03431	5.1
69.43793	4.3
70.06593	1.4
71.04977	1.2
73.02927	0.9
79.05495	0.8
81.03413	1.8
81.07077	1.2
84.04490	0.8
85.02923	9.3
87.04473	0.9
87.08118	23.5
91.05476	1.5
93.07050	0.6
97.02895	3.2
97.06529	2.0
98.21517	0.7
99.04456	0.7
104.07106	0.7
109.02859	1.4
109.06503	1.1
111.08092	0.8
119.04917	1.0
123.04395	0.7
127.03920	2.9
130.05020	0.6
142.89662	0.5
145.04988	2.2
147.04437	6.0
148.75850	0.5
155.03383	0.9
165.05501	1.4
169.04990	2.0
175.03864	2.8
179.03358	1.7
181.05005	1.1
183.06570	0.7
193.04996	13.5
197.04498	9.9
198.04805	1.1
199.04845	0.7
211.06041	100.0
213.25046	0.6
217.10768	2.1
247.09767	0.7
265.10764	19.3
266.11032	3.7
267.11917	4.2
297.13379	4.6
373.11349	19.6
415.15335	0.9
427.16080	17.6
459.18484	2.2
562.15967	2.2
562.24005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01880	9.7
55.05305	1.2
55.05518	12.9
57.03448	10.1
61.02915	4.5
65.03934	3.3
67.05514	45.2
69.03432	5.0
69.07073	12.0
69.37932	9.4
71.04991	5.2
78.31470	1.2
79.05503	25.6
81.03429	16.9
81.07068	46.9
83.04990	9.9
83.08624	8.6
85.02926	6.0
85.06574	5.4
91.03902	1.0
91.05491	41.8
93.07058	26.9
95.04975	11.6
95.08063	1.7
95.08611	16.4
97.02883	1.8
97.06526	4.6
97.10168	2.6
98.20797	2.4
99.04478	1.5
103.05499	1.5
105.07048	37.6
107.04977	6.1
107.08607	30.2
109.06541	8.3
109.10168	43.4
111.08089	2.6
113.05983	3.1
117.07021	4.3
119.08601	9.9
121.06509	4.7
121.10162	6.7
123.04433	1.8
123.08061	3.2
123.11715	8.1
125.09632	1.9
127.03925	2.1
127.07530	2.9
128.06212	2.2
129.05495	1.5
129.07014	4.5
131.08594	10.7
133.06543	5.5
133.10149	57.6
135.08067	5.7
135.11705	3.0
135.35101	1.4
137.09598	1.7
143.08580	2.5
145.10141	6.3
147.08115	3.1
147.11700	4.4
149.09663	8.0
151.11186	24.1
157.10158	3.1
159.08095	2.8
159.11711	3.2
161.09602	5.3
163.11151	2.3
165.12640	1.2
169.12248	4.5
171.11749	1.7
175.11180	3.7
177.09108	1.9
177.12785	1.2
179.10593	2.0
187.11264	1.6
189.12720	2.3
193.12306	4.7
208.36516	1.1
211.13277	3.4
215.12770	3.7
234.98006	1.2
245.19060	2.6
251.12816	1.9
253.14384	94.7
255.17413	2.2
263.20062	2.5
267.15839	7.5
269.13910	3.7
271.15417	14.4
273.18527	11.0
285.16953	4.0
291.19574	17.5
309.20523	1.6
347.22128	5.1
365.23264	100.0
383.24109	2.2
433.26743	1.2
459.27283	4.8
464.30457	1.6
477.28418	10.2
544.37225	1.9
562.37781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.58100	1.0
55.01875	2.2
65.03953	1.4
68.99789	3.9
70.06591	2.2
70.31353	1.5
70.31698	3.1
72.08161	2.1
85.02904	3.3
86.09682	1.9
91.05471	5.2
95.04952	2.8
97.02879	1.8
107.04958	100.0
108.38099	1.2
110.51608	1.1
111.00803	1.9
111.04452	2.1
119.04944	50.1
121.02857	4.7
123.04436	26.4
127.03950	5.3
129.10229	1.2
131.00865	1.2
131.04956	1.8
133.06541	6.2
135.04390	2.1
137.02396	1.3
139.03903	28.0
139.04924	2.2
143.04880	1.0
145.06485	11.4
145.69060	1.0
147.03235	2.6
147.04417	51.9
149.02333	7.5
149.03404	1.4
151.03889	11.6
153.06949	1.1
157.06522	3.6
161.06015	7.3
163.03902	6.3
165.05460	6.2
167.03426	16.2
169.06517	1.1
171.04396	11.1
171.05563	1.2
171.07947	1.5
173.50723	1.2
175.03957	3.1
177.05524	2.2
179.03381	11.0
185.06017	3.1
187.07492	2.5
189.05537	8.3
191.03395	13.2
193.04974	4.2
199.07568	2.9
201.05460	2.6
203.03432	7.7
205.05075	1.5
213.05490	4.2
215.03366	1.3
215.06970	1.3
217.04942	1.5
227.07037	5.5
229.04948	5.1
231.06528	22.8
233.04347	6.6
239.07056	2.4
243.06531	7.7
245.04427	6.0
245.08110	3.6
251.05533	2.3
255.06566	12.3
257.04434	13.0
257.08194	2.4
259.11188	1.1
267.06580	6.6
269.04517	2.6
271.06024	1.6
273.07590	32.7
273.10550	1.9
275.05478	17.0
285.07584	15.1
287.05508	23.5
291.08664	13.5
299.05518	6.0
303.08743	1.5
393.09625	20.3
395.11328	3.0
401.01920	1.3
409.09308	5.5
411.10776	4.1
427.10303	3.4
538.33447	1.3
563.18707	1.4
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
53.03938	7.4
55.01863	7.2
55.05277	2.8
55.05519	39.3
57.03447	12.4
57.07077	3.2
62.27642	2.4
65.03934	4.9
67.05509	88.6
67.38722	2.0
69.03435	4.2
69.07072	36.9
70.69974	7.3
71.04992	8.8
72.30534	2.1
72.91509	2.1
79.05499	59.3
81.03423	15.3
81.06588	5.0
81.07060	91.9
83.04971	11.0
83.08636	25.3
85.06544	4.6
91.05492	57.7
93.07051	76.8
95.04976	13.9
95.08618	69.0
97.06540	15.1
97.10178	17.1
99.07097	2.2
105.04532	2.3
105.06406	4.9
105.07043	54.2
107.04940	5.2
107.08606	45.1
109.06510	8.3
109.10162	31.8
111.04430	3.8
111.08125	5.5
113.09681	3.7
117.07025	20.1
119.08590	52.7
121.06493	4.8
121.10154	36.9
123.08060	6.0
123.11704	10.3
125.09643	13.8
128.06290	3.9
129.07019	10.7
131.08582	33.6
132.79851	2.3
133.10144	28.7
135.08054	4.2
135.11691	20.5
137.09575	4.3
137.13248	3.7
139.11198	10.1
141.06937	2.4
142.07721	2.5
143.08533	13.0
145.10143	27.2
147.08044	4.4
147.11682	27.7
149.09624	6.2
149.13274	11.5
151.11108	2.7
154.94000	2.8
155.08546	8.5
156.09511	2.5
157.10150	17.8
159.11714	21.9
161.13185	13.5
163.11212	5.7
163.14885	5.2
165.12762	5.0
169.10121	7.7
171.11681	12.4
173.13229	15.9
175.11353	4.5
175.14784	5.8
177.12733	3.4
179.14281	3.4
181.10172	2.7
181.12277	3.3
183.11708	6.2
185.11758	2.9
185.13271	8.8
187.14841	7.3
189.11243	10.3
189.16461	2.3
193.12218	7.2
195.11774	3.3
195.13850	4.4
197.13261	5.9
199.14845	5.2
201.14830	5.2
203.12781	4.6
211.14912	3.1
213.14789	4.2
217.15935	2.7
221.15404	2.7
227.12851	9.6
229.14371	7.1
233.15334	2.8
239.16472	4.4
241.14372	4.8
243.21063	3.1
247.16995	3.0
249.18585	2.6
259.15384	5.8
259.20303	5.1
261.22110	6.3
267.15952	16.3
269.17426	5.8
269.22656	2.7
271.20654	3.6
273.22232	3.5
285.16803	3.2
285.22198	2.6
287.18954	2.8
287.23740	13.8
289.21509	12.3
299.23544	2.9
301.25153	6.9
305.24713	2.9
315.31015	2.8
317.24683	2.5
335.25931	16.8
340.84885	2.4
341.24591	3.4
347.25784	3.2
351.25558	3.0
363.25461	6.4
417.31534	6.1
435.32675	14.3
453.33765	20.7
471.34830	13.9
509.35928	5.0
527.37354	59.7
545.38397	100.0
563.39484	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17098	0.4
53.03935	0.5
55.01867	0.9
55.05515	4.8
56.05034	0.4
57.03452	1.6
57.06837	0.3
57.07079	5.8
58.99586	0.5
61.02908	1.5
65.03899	0.3
66.85945	0.3
67.05496	0.7
69.03436	4.8
69.07048	0.5
70.06593	0.7
71.01347	0.4
71.04980	1.0
71.52679	0.3
71.53056	0.4
72.08130	0.5
73.02917	1.1
76.02227	1.8
76.03996	0.4
77.20080	0.3
79.05486	0.8
81.03419	2.1
81.07056	1.6
83.04951	0.5
84.04508	1.2
84.08162	0.5
84.35411	0.3
85.02911	8.1
86.06049	0.3
86.09700	1.0
86.99030	0.5
87.04479	0.7
87.08108	27.5
91.03951	0.8
91.05482	1.8
93.07047	0.8
95.04975	1.0
95.08609	0.6
96.04488	0.4
97.02886	3.1
97.06544	1.7
98.09699	0.4
99.04460	1.0
105.07040	0.6
107.08595	0.5
109.02861	0.9
109.06464	1.0
109.10176	0.5
109.41468	0.4
111.04451	0.4
111.08069	0.9
113.02325	0.4
116.01663	0.6
119.04947	0.8
119.08603	0.6
120.08119	0.7
121.10117	0.6
123.04456	0.4
127.03922	2.4
130.04977	0.9
131.08604	0.4
133.10162	0.5
137.05963	0.7
145.04965	1.9
147.04416	4.7
147.07654	0.4
149.09650	0.4
151.03880	0.9
151.22768	0.3
151.24042	0.4
153.09116	0.4
162.02193	0.4
163.03867	1.0
165.05486	1.7
169.05025	1.6
175.03926	2.4
177.05484	0.6
179.03358	1.2
179.04805	0.6
181.04929	1.0
181.08519	0.5
183.06535	0.8
189.03256	0.7
193.04970	13.1
197.04433	7.4
199.09624	0.5
209.04440	0.6
211.06015	100.0
217.10687	1.4
223.05948	0.6
247.09695	0.5
265.10709	15.6
267.12247	3.1
276.15994	0.5
297.13385	3.5
308.09082	0.4
314.32538	0.4
318.04623	0.4
328.68115	0.7
373.11301	14.9
377.81509	0.4
427.16010	13.1
459.18570	0.7
526.72131	0.4
542.76428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01878	0.6
55.05519	3.5
57.03423	1.5
57.07079	5.0
58.99589	0.5
61.02927	1.4
64.33006	0.5
69.03089	0.5
69.03433	5.0
70.06581	1.0
71.04981	1.0
71.52186	0.5
71.52592	0.6
73.02927	1.1
76.02218	1.2
79.05486	1.1
81.03407	2.0
81.07064	1.2
84.04514	1.0
85.02430	0.8
85.02908	8.1
86.09695	0.9
87.08112	27.4
91.05469	1.1
93.07025	1.0
95.04981	0.6
97.02895	3.8
97.06532	1.8
98.09695	0.6
99.04432	0.8
103.03936	0.9
107.08575	0.7
109.02878	1.0
109.06532	1.2
111.08077	1.2
114.20799	0.5
119.04952	1.8
127.03933	3.1
130.04974	0.7
135.08052	0.6
137.06044	0.6
145.05003	2.4
147.04420	4.9
157.45767	0.5
162.02245	0.6
163.03867	0.6
165.05409	1.3
169.04933	1.4
175.03909	2.0
177.05371	0.6
179.03392	0.8
179.04788	0.6
181.08690	0.9
183.06516	0.8
193.04976	13.3
197.04453	6.8
199.09665	0.6
203.03369	0.5
211.06021	100.0
217.10674	1.1
223.05984	1.3
247.09688	0.6
265.10718	15.5
267.12265	2.5
274.42133	0.5
297.13382	4.0
331.22083	0.5
337.08844	0.6
342.81842	0.5
373.11343	15.1
393.33463	0.5
399.04172	0.5
427.16034	13.4
459.18491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05522	4.1
57.03432	1.6
57.07083	5.2
61.02926	1.3
69.03432	5.7
70.06566	0.8
71.04990	1.2
71.22578	0.8
71.22900	0.7
73.02922	0.5
79.05512	0.6
81.03413	2.0
81.07068	0.9
83.04967	0.8
85.02440	0.7
85.02912	8.3
87.08116	27.0
91.05470	1.3
97.02901	3.5
97.06530	1.7
99.04436	1.3
109.02857	1.1
109.06496	0.9
111.08102	0.8
119.04921	1.6
123.04429	0.5
127.03933	2.5
137.06009	0.6
145.04970	2.5
147.04443	5.2
163.03925	0.6
165.05486	1.9
169.04945	1.7
175.03912	2.2
179.03398	1.0
181.04965	1.4
183.06529	1.3
193.04965	12.8
197.04457	8.3
199.09668	0.6
211.06030	100.0
217.10632	1.4
223.06038	0.5
247.09973	0.6
265.10739	17.1
267.12286	3.4
297.13385	4.2
308.47601	0.5
337.08893	0.6
369.79987	0.5
373.11337	15.6
426.43152	0.5
427.16019	12.7
459.18570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01858	2.2
55.05511	2.9
57.03443	12.3
57.98801	0.7
58.99592	16.7
59.92753	0.6
61.01138	1.4
67.05489	1.0
67.10838	0.7
68.05009	0.7
69.07043	1.3
70.06566	0.6
70.64130	1.0
73.01124	2.6
74.00648	0.6
76.02235	1.4
76.04012	3.4
79.05494	7.1
81.07063	46.1
83.04894	0.8
84.04511	5.4
84.08142	0.6
85.02892	2.3
86.06062	1.2
86.99063	15.5
87.02698	7.6
88.02219	5.6
91.05475	1.1
93.07019	1.0
95.04980	0.9
95.08582	1.9
97.06506	0.7
98.00632	1.3
99.08104	17.4
102.05492	0.7
105.07033	1.0
112.03976	5.3
113.02367	3.1
113.04227	0.8
115.05772	0.9
116.01686	76.2
117.25806	0.5
118.06544	5.3
126.33852	0.6
130.05009	13.7
131.08488	0.7
132.08099	1.5
133.08841	1.3
139.05794	1.0
142.03250	12.3
142.04991	6.5
144.01155	29.2
144.04698	0.8
144.08092	2.0
146.09648	1.8
154.05005	0.9
156.08450	1.0
157.06839	2.4
158.09570	0.7
162.02213	59.3
176.14362	83.4
188.03790	3.5
188.05556	11.5
199.05406	1.8
199.07195	1.2
202.15913	8.6
207.06648	0.8
211.07207	0.9
216.06900	6.4
216.13777	1.4
245.05908	12.6
245.08134	1.1
247.07532	0.8
257.07736	2.3
260.09512	5.4
273.05450	1.9
283.15198	0.7
288.15964	24.4
291.06461	34.2
345.10992	1.1
345.14807	1.7
389.13791	53.4
466.19940	1.1
515.32544	0.7
520.28613	0.9
540.87463	0.7
546.25842	0.7
564.27417	100.0
565.27881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
54.13276	1.3
54.14264	1.6
55.01861	3.9
55.05518	11.9
57.03441	4.1
61.02939	2.4
65.03922	2.1
67.05515	14.5
69.03429	2.7
69.07073	8.5
71.05013	2.3
71.52308	2.0
71.52689	1.7
73.02925	2.6
79.05499	20.0
81.03417	4.0
81.07049	14.8
83.04955	2.2
83.08625	9.1
84.08164	3.2
85.02910	4.3
91.05499	11.1
93.07043	12.0
95.05002	3.4
95.08597	7.0
97.06547	4.9
97.10165	15.8
102.15297	1.5
105.07030	12.5
107.04951	3.9
107.08603	37.4
109.06480	2.0
109.10140	6.0
111.08065	2.4
117.06988	4.6
119.08570	8.3
121.10143	4.7
123.08123	1.9
123.11703	3.8
125.09619	17.0
131.08586	6.0
133.10138	9.5
135.08052	2.8
135.11705	4.4
145.10124	11.6
147.11691	7.3
149.09612	5.3
159.11754	4.1
161.13385	2.4
163.11165	3.7
171.10190	3.9
171.11621	3.0
177.12756	1.9
183.11630	2.1
189.11258	12.1
227.12801	17.5
239.17934	3.2
245.13910	8.9
255.15726	1.8
257.19064	15.5
272.99139	1.6
275.20053	29.8
276.53729	1.7
300.72156	1.8
331.22705	3.5
349.23749	100.0
367.25076	9.7
389.17957	2.0
475.26804	1.8
493.27997	2.0
568.70715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05520	17.7
57.03442	3.2
59.12674	1.7
61.02927	3.3
67.05511	15.6
69.03431	3.7
69.07063	7.8
73.02944	2.2
79.05494	21.3
81.03413	3.6
81.07065	15.8
83.04967	3.0
83.08640	9.1
84.08176	2.6
85.02917	2.1
91.03947	2.6
91.05486	14.4
93.07043	12.5
95.04981	2.2
95.08604	7.1
97.06550	4.4
97.10183	15.5
105.07026	11.8
107.04935	3.2
107.08602	29.7
109.10155	3.0
117.07033	5.3
118.00346	1.6
119.08585	6.8
121.10147	4.9
123.11722	3.8
125.09644	13.9
129.07031	2.0
131.08606	5.4
133.10147	7.7
143.08502	2.0
145.10101	11.4
147.11716	7.6
149.09633	6.3
159.11688	3.4
163.11205	4.4
171.10243	2.5
171.11678	1.9
171.72632	1.6
173.13280	2.0
183.11676	1.7
187.13354	1.7
189.11237	11.5
227.12820	15.3
239.17972	4.5
245.13881	6.9
255.16040	2.3
257.19025	10.6
275.20081	25.6
349.23767	100.0
367.24829	12.7
389.18069	1.9
475.26572	2.2
496.50284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28082	1.5
53.03942	3.4
54.20946	1.2
55.01881	7.6
55.05508	16.8
57.03439	20.5
57.07070	2.2
57.82286	1.4
61.02911	5.4
63.61676	1.4
65.03947	1.7
65.93531	1.4
67.05508	60.0
69.03436	7.6
69.06725	2.2
69.07073	26.9
69.93083	5.2
71.04987	6.4
73.02900	3.3
79.05495	42.2
81.03425	11.4
81.07060	66.5
83.04982	10.5
83.08622	11.4
85.02908	10.1
85.06522	4.1
91.05486	36.4
93.07047	57.3
95.04968	9.9
95.08609	27.9
97.02900	7.5
97.06528	22.0
97.10160	3.9
99.04423	3.3
99.08091	5.3
103.05466	1.4
105.07040	27.5
105.86809	1.4
107.04971	8.6
107.08596	31.7
109.02870	3.2
109.06522	4.4
109.10139	9.7
111.08064	6.9
113.09736	1.8
115.05435	2.5
117.07037	15.3
119.08578	20.1
121.06505	5.2
121.10152	13.4
123.08060	3.3
123.11694	4.2
125.09615	5.6
127.03954	3.1
129.07016	3.3
131.08572	21.1
133.06493	1.6
133.10144	19.7
135.08034	4.7
135.11703	21.5
137.09586	3.8
141.07010	1.7
143.08533	3.9
145.10139	14.0
145.85884	1.4
147.11691	9.9
147.90273	1.4
149.09633	13.3
149.13271	16.3
151.11145	4.4
157.10115	3.6
159.11708	26.3
161.13293	5.9
163.11211	10.0
165.12753	1.5
169.10162	2.5
171.10292	2.1
171.11717	3.9
173.13266	6.4
175.11145	3.3
177.05511	1.9
177.12759	24.3
179.14363	7.4
181.12247	3.1
183.11688	2.8
187.11250	2.5
191.14268	2.1
195.13815	6.8
197.13274	2.1
201.12732	2.2
227.12837	4.2
229.14371	3.4
239.17876	6.4
245.13930	1.7
247.20668	2.2
251.16399	4.9
255.15927	52.6
257.19119	7.8
267.15857	1.6
269.17493	100.0
275.20071	27.0
293.20984	3.2
309.20639	1.9
331.22427	1.7
335.18469	1.4
349.23743	66.8
367.24915	23.3
389.18008	1.6
413.21576	4.0
493.27997	1.7
511.29007	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01873	4.8
55.05518	12.8
57.03442	14.0
57.07086	2.1
61.02924	4.7
62.20206	1.7
63.08506	1.4
64.87411	1.5
65.03943	1.5
67.05508	47.0
69.03426	4.6
69.07072	18.0
70.68983	3.4
70.69331	2.2
71.04984	3.7
79.05495	36.2
81.03426	8.0
81.07059	56.5
83.04993	6.7
83.08618	10.5
85.02908	6.5
85.06535	4.2
91.03962	1.7
91.05480	29.6
93.07050	44.6
95.04969	6.9
95.08608	21.5
97.02887	4.3
97.06525	11.5
97.10178	3.8
99.04463	1.9
99.08087	2.4
105.07037	21.2
107.04953	5.8
107.08600	27.0
109.06528	5.3
109.10169	7.6
109.73252	1.4
111.08076	3.5
117.07027	13.0
119.08589	14.8
121.06509	4.5
121.10146	16.2
123.08078	2.5
123.11725	2.4
125.09679	3.8
129.06990	2.2
131.08577	15.2
133.10146	18.6
135.11690	16.2
137.09651	3.1
139.11221	1.9
143.08498	2.2
145.10132	9.7
145.80397	1.4
147.11685	9.6
149.09627	8.2
149.13286	16.2
151.11176	2.5
155.08601	2.3
157.10141	3.9
159.11697	21.1
161.13249	4.5
163.11182	4.8
171.10201	2.0
171.11635	2.4
173.04520	1.8
173.13327	2.6
177.12785	24.5
179.14352	6.8
183.11700	1.9
185.13239	1.5
195.13809	6.5
197.13234	2.4
215.17998	1.7
227.12843	2.1
227.17636	1.5
229.14427	2.7
239.17906	2.7
251.16446	4.9
255.15916	40.5
257.19046	3.2
269.17493	100.0
275.20050	18.0
332.83603	1.6
349.23749	45.7
359.11942	1.6
367.24710	20.1
413.21545	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	564.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62903	1.7
53.03941	3.9
55.01863	2.4
55.05515	13.9
56.30370	1.7
57.03443	15.7
57.07065	4.8
65.03945	3.3
67.05509	67.0
69.03435	1.6
69.07076	22.2
71.04981	4.8
71.29542	4.1
71.29893	1.7
79.05495	48.5
81.07063	81.4
83.04964	5.4
83.08624	12.3
85.06567	3.6
87.31841	2.0
91.05483	22.3
92.82444	1.8
93.06493	3.5
93.07050	63.9
95.04961	4.5
95.08609	39.3
97.06552	8.9
97.10151	3.9
99.08083	2.1
103.57767	1.5
104.51239	1.6
105.07037	12.9
107.08605	36.6
107.55005	1.6
109.06520	2.0
109.10152	11.1
111.08048	3.2
117.06998	5.7
117.66789	1.8
119.08595	11.4
121.06505	2.3
121.10156	24.9
123.11683	3.9
130.23322	1.6
131.08565	8.0
133.06485	2.3
133.10153	8.3
135.08080	3.1
135.11687	12.3
145.10094	2.5
147.11661	5.5
149.13269	25.2
159.11716	11.2
161.13295	3.5
163.14735	1.9
173.13159	2.3
175.11198	5.2
177.12764	21.8
195.13805	10.4
219.13757	12.2
241.12181	2.8
243.21046	2.6
261.22189	9.9
267.15820	1.8
269.17484	64.7
317.24963	2.4
327.19553	5.1
335.25793	71.4
529.38928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	20.7
57.03444	10.7
57.07077	4.4
63.47563	2.5
65.03953	3.4
65.12752	2.6
67.05511	71.9
69.07078	27.9
69.25095	25.1
71.04995	2.7
79.05500	26.7
81.07068	73.0
83.04988	6.4
83.08624	19.6
85.06525	5.6
91.05514	17.5
93.07053	42.6
95.08618	41.2
97.06525	8.9
97.10167	6.6
99.08151	2.5
105.07038	11.6
107.08611	25.2
109.10165	15.8
111.08074	3.7
117.07027	6.6
119.08601	6.8
121.10168	14.0
123.11758	4.1
131.08568	6.9
133.10144	9.3
135.11691	9.1
147.11679	3.7
149.13289	19.7
153.12808	2.9
159.11719	10.6
169.36871	2.9
176.36136	2.8
177.12724	3.3
195.13789	7.7
263.23724	3.8
269.14575	3.0
269.17520	71.3
337.27374	71.1
531.40485	100.0
566.40411	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	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
55.05508	6.4
57.03412	1.7
57.15610	1.0
67.05510	28.5
69.03390	4.5
69.07034	3.7
69.56747	4.3
69.57148	2.1
71.04967	2.1
77.77862	1.0
78.02507	1.0
78.88546	1.0
79.05487	7.8
81.03425	20.4
81.07058	15.7
83.04926	3.4
83.08569	4.3
85.02854	3.4
91.05492	8.1
93.07053	7.4
94.45385	1.0
95.04944	1.5
95.08562	4.9
97.02846	2.5
97.06487	1.6
97.10139	1.8
99.04380	1.3
99.08086	1.3
105.06986	4.1
107.04906	1.4
107.08601	5.5
108.95028	1.1
109.02799	3.4
109.10155	15.3
111.04418	2.6
111.08008	1.2
117.06985	1.3
119.08501	2.9
121.06463	2.0
121.10085	1.9
123.73067	1.0
125.09617	1.9
127.03867	2.3
131.08501	3.9
133.10077	1.4
135.08014	2.0
145.10107	1.4
149.13193	2.6
155.10600	1.4
157.09973	1.3
159.11607	1.8
162.57217	1.0
173.11623	2.9
195.13737	2.1
203.05121	1.4
229.14223	1.7
259.07764	1.5
269.17429	1.0
331.09659	3.0
339.17850	1.5
355.17221	1.8
387.21088	1.9
395.20181	1.7
423.27121	2.1
469.20221	5.6
549.18091	1.2
549.26453	20.9
567.27222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.4
63.02365	0.5
64.29150	0.4
67.05499	0.8
69.07076	0.5
70.06572	0.6
71.52624	0.5
74.09709	0.9
79.05500	0.9
81.03408	0.7
81.07036	1.5
84.04445	0.7
85.02903	1.2
86.09696	1.6
89.03917	8.2
91.05473	1.7
93.07065	0.7
117.03384	20.5
119.04932	0.5
124.07567	0.9
127.03912	0.5
131.08620	0.6
133.06474	0.6
134.03613	1.6
135.04393	1.2
137.05992	0.6
145.02853	53.1
147.04451	0.7
149.05992	6.1
151.07874	0.5
153.05475	0.6
161.05980	1.0
163.03952	0.7
165.05450	1.1
167.07100	0.6
177.05478	100.0
184.07343	2.0
186.05525	1.7
191.07031	1.1
192.07761	1.0
193.08653	1.6
194.08159	1.6
197.04524	0.5
206.08118	1.8
208.06079	0.5
222.14949	1.5
226.19267	0.5
358.12885	3.1
366.19003	0.6
375.14655	0.7
392.17114	2.4
421.75565	0.5
563.44635	0.5
568.21136	2.6
568.29077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03947	3.8
55.01041	1.1
55.05511	13.2
57.07065	5.7
59.04989	2.7
65.03938	3.0
67.05511	15.4
69.03436	2.4
69.07077	12.8
69.81176	6.2
70.06612	1.3
71.04993	1.3
71.08638	1.4
79.05499	22.8
80.06275	3.7
81.07063	34.6
83.04983	2.5
83.08620	5.0
85.06533	3.9
91.05491	45.5
92.06260	2.8
93.07054	51.9
95.04376	2.0
95.04984	36.1
95.08617	28.6
97.10147	1.4
103.05489	3.2
105.07040	81.9
106.07838	4.5
107.08611	41.2
108.05791	1.3
108.09417	1.7
109.06515	3.5
109.10164	20.5
111.08086	2.1
115.05479	5.8
117.07029	26.4
118.07841	3.3
119.08593	100.0
120.09434	6.8
121.06538	1.8
121.10156	30.1
123.08092	16.5
123.11717	6.5
125.09651	1.7
128.06226	9.7
129.07016	18.0
130.07803	11.3
131.08582	46.5
132.09386	10.4
133.06540	1.5
133.10147	54.7
134.10933	7.0
135.08073	6.3
135.11702	18.0
137.09656	4.9
138.10397	9.0
141.06981	6.9
142.07802	18.8
143.08577	49.3
143.09721	2.5
144.09360	12.0
145.10139	89.7
146.10912	6.6
147.08066	2.9
147.11700	23.9
149.09628	5.9
149.13280	3.6
151.11168	2.6
153.06956	2.9
154.07780	3.6
155.05972	1.7
155.08575	16.4
156.09373	17.8
157.10146	52.1
158.10934	12.4
159.08067	2.2
159.11714	41.9
160.12488	4.7
161.09666	6.3
161.13254	8.1
163.11166	2.6
165.07054	5.1
166.07823	2.5
167.08580	7.8
168.09383	6.8
169.10150	25.5
170.10936	9.3
171.11707	33.2
172.12512	5.3
173.09685	2.7
173.13277	29.4
175.11211	2.1
175.14854	21.0
175.16312	2.3
177.12787	4.9
179.08543	9.8
180.09377	5.2
181.10098	14.8
182.10936	8.9
183.11722	28.7
183.13249	2.4
184.12486	5.5
185.13283	24.5
186.14067	3.5
187.14847	12.4
189.12730	3.7
191.14369	10.3
192.09393	3.1
192.15146	3.8
193.10135	7.9
193.15833	1.8
194.10925	10.1
195.11717	18.1
196.12500	9.0
197.13280	26.7
198.14099	6.1
199.14833	12.2
200.15605	1.5
201.12842	2.9
201.16388	8.8
203.14294	2.0
205.10114	1.8
205.15900	2.1
206.10963	3.5
207.11748	9.8
208.12453	3.1
209.13260	28.3
210.14023	3.7
211.14857	18.6
213.16429	5.0
217.10124	1.4
217.15842	6.9
219.11754	3.1
219.17606	1.5
220.12517	3.3
221.13275	8.0
222.14136	3.1
223.14825	13.0
224.15608	6.1
225.16412	8.0
226.17128	2.1
227.18044	2.1
229.15874	2.2
231.11552	1.6
231.17508	1.6
233.13339	2.8
235.14874	5.2
237.16367	8.2
239.17923	6.2
241.19469	1.9
243.17609	1.4
245.13423	1.8
246.19771	1.6
247.14951	3.5
249.16512	4.0
251.17935	3.8
253.19398	2.1
255.17603	2.8
257.19034	2.5
259.14740	1.9
259.20618	3.7
261.16461	2.3
263.18082	3.1
265.19556	3.9
267.17502	1.2
267.21057	1.8
270.19952	1.6
271.20697	2.2
272.21124	1.4
273.16519	3.2
275.18011	2.2
277.19614	3.6
278.20590	1.4
279.21259	2.8
281.18988	1.4
283.20612	2.2
285.22205	3.2
289.19531	1.6
296.21359	2.4
297.22159	1.7
305.22528	2.1
311.29529	1.8
319.24094	1.7
323.23709	5.8
331.24280	2.2
337.25458	2.5
338.26093	48.6
351.26993	2.0
415.30173	2.2
430.32394	17.0
458.35516	1.8
472.89914	1.3
476.36530	26.0
476.42770	1.8
547.09949	1.9
568.42816	44.1
568.56000	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.54807	0.4
67.05507	1.5
70.10548	1.1
79.05495	0.6
81.03381	0.4
81.07065	0.7
85.02936	0.5
91.05507	1.0
93.07033	0.6
95.04987	0.4
95.08587	0.5
97.02884	0.4
105.07027	0.6
107.96983	0.4
141.47063	0.3
143.64311	0.4
199.03879	0.5
203.05286	1.0
240.06757	0.4
259.07974	0.8
301.14368	0.6
357.79868	0.4
407.24149	1.7
457.20358	2.5
471.21994	5.1
487.21494	0.7
569.29376	100.0
570.29913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2936
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
52.48867	0.3
55.05504	0.8
63.41854	0.3
67.05495	1.4
69.24123	0.3
69.84930	0.6
69.85343	1.0
75.40722	0.3
79.05479	1.1
81.03427	0.7
81.07050	1.5
83.08617	0.3
83.70630	0.3
85.02908	0.5
91.05477	0.8
93.07034	0.7
95.04998	0.4
95.08610	0.7
96.78878	0.3
105.07055	0.7
107.08613	0.4
109.10143	0.3
112.31377	0.3
119.08605	0.4
121.48306	0.3
133.10091	0.5
134.66243	0.3
155.40952	0.3
159.35796	0.3
199.03923	0.5
203.05316	1.0
259.07901	1.4
275.66678	0.3
301.14502	0.6
331.09991	0.6
394.37085	0.3
407.23795	1.5
457.20563	2.7
471.22073	3.6
487.21371	1.3
551.29761	0.6
569.29358	100.0
570.29492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	0.7
57.03435	1.2
61.02924	1.4
64.54038	0.5
67.01895	0.5
67.44223	0.4
69.03440	4.7
69.07066	0.7
69.27595	1.7
69.28019	2.4
70.06591	1.3
71.04996	0.7
73.02894	0.7
76.02237	0.6
79.05540	0.5
81.03429	2.4
81.07042	1.8
84.04516	2.7
85.02913	13.3
86.09732	0.6
91.03945	0.8
91.05469	0.9
93.07071	0.8
94.06577	0.6
94.12370	0.5
94.13216	0.5
95.08603	1.2
96.08146	0.7
96.57130	0.4
97.02905	3.0
99.04477	0.8
101.02412	0.7
102.05509	0.7
105.06999	0.4
107.08588	1.0
108.08109	1.6
109.02870	1.2
109.10172	0.7
119.08570	0.7
121.06494	0.6
122.17068	0.4
127.03914	1.4
129.88103	0.5
131.08459	0.5
133.10144	0.9
134.09660	1.3
137.02319	0.8
145.02859	0.5
145.05000	0.8
145.10091	0.6
146.09598	0.7
147.04439	1.2
155.03427	1.8
160.07597	0.6
162.09186	1.7
165.01877	1.0
166.08623	0.6
174.09174	1.0
177.05481	1.4
179.03407	0.8
179.10706	0.6
180.10204	1.5
183.02898	3.3
185.04562	0.6
187.13380	0.5
197.04553	2.4
200.10742	0.5
201.05499	0.6
202.08643	1.1
208.09738	3.2
210.07532	0.6
216.06436	0.5
220.06113	1.0
220.09703	4.9
221.04492	0.9
226.10771	2.0
228.10229	1.1
232.09723	2.3
233.08067	0.7
234.07741	1.0
234.11072	0.8
243.06538	1.2
244.05997	1.5
246.07693	0.9
246.11290	1.2
248.09261	1.2
252.10321	0.5
256.09711	0.8
258.07642	0.6
259.08340	1.1
260.09204	2.4
261.07645	2.8
262.07083	6.4
263.09198	1.1
270.08090	0.5
270.11255	1.3
274.07266	1.2
274.10760	1.6
277.09500	8.5
278.10281	5.8
284.09174	1.6
288.08655	1.4
289.09406	0.5
298.10904	1.0
299.09146	0.7
302.10321	3.4
308.09164	0.7
315.07257	0.7
316.11783	1.3
319.22635	1.9
320.11313	1.2
325.09161	0.6
326.10193	1.9
330.09686	7.4
333.25009	0.6
337.23792	0.7
341.41602	0.5
341.87735	0.5
344.11325	7.2
348.10770	6.0
348.14719	0.8
354.09766	2.3
362.12372	5.6
366.11902	1.4
372.10809	19.5
373.22760	0.5
390.11932	2.9
408.12918	100.0
449.14282	0.7
570.18146	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	571.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
55.01884	10.6
55.05504	27.9
57.03415	8.3
61.02875	6.0
67.05508	43.3
69.03421	22.4
69.07063	7.7
71.05002	11.7
71.52411	8.9
75.24063	6.4
76.02234	7.8
79.05489	42.4
81.03422	100.0
81.07059	42.5
83.05006	8.9
83.08607	21.5
85.02900	25.0
91.05485	40.4
93.07077	37.3
93.07576	5.7
95.04977	46.6
95.08622	16.6
96.09378	7.5
97.02899	22.1
97.06522	8.8
97.10155	16.3
99.04501	8.9
105.07045	15.8
107.04906	9.3
107.08607	16.7
109.02880	20.1
109.06561	7.7
109.10151	16.6
113.02454	7.7
119.04961	9.7
119.08601	12.7
121.10139	16.7
123.04445	26.2
127.03907	15.1
129.06966	9.3
131.08556	17.2
135.08018	6.9
135.11717	7.2
145.10107	8.6
147.04437	35.4
149.02348	7.2
149.09660	12.1
151.04005	9.9
155.03416	23.4
157.10146	13.0
163.03891	6.3
163.11195	12.7
163.77763	6.6
167.03375	14.2
167.10626	8.4
169.05069	14.0
171.11818	8.0
179.03374	24.9
185.04486	96.2
189.05473	8.7
193.05031	12.5
193.12242	12.5
197.04468	68.1
211.05997	13.0
235.13239	43.0
259.13251	13.7
273.14874	16.3
275.05820	9.8
277.14337	19.8
301.14401	27.9
317.13922	33.5
319.15521	33.3
335.14932	37.3
337.16443	25.7
359.04599	7.1
359.14948	33.5
377.15952	33.2
408.22925	6.4
425.16150	10.3
443.16949	10.3
485.18265	11.8
503.19067	12.3
521.20203	18.7
553.32599	7.2
571.28668	18.4
571.47314	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	571.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03940	3.6
55.05513	32.9
57.03446	0.9
57.07077	12.6
65.03947	1.4
67.05508	30.5
69.07070	34.0
71.04995	1.5
71.08633	7.8
71.12199	1.3
78.41817	0.7
79.05497	25.9
81.03410	0.6
81.07057	25.3
82.43091	0.8
83.05010	1.1
83.08623	29.2
85.10189	3.0
88.90336	0.6
89.06027	1.3
91.05484	16.2
93.07044	31.3
95.04970	1.9
95.08608	20.6
97.06535	0.8
97.10172	20.9
97.10790	1.4
99.47338	0.6
105.04536	1.2
105.07032	8.1
107.08602	10.8
109.06598	0.9
109.10165	7.9
111.08140	0.9
111.11736	6.6
117.07031	3.3
119.08592	6.0
121.10140	14.5
123.11699	1.5
125.13290	1.5
131.08568	5.4
133.08615	1.0
133.10152	3.6
135.11699	8.1
137.13242	0.8
145.10176	2.4
146.10306	0.6
147.11707	3.4
149.13293	2.6
159.11734	2.8
161.13289	2.3
163.14891	0.9
171.42404	0.7
173.13304	2.6
175.14821	1.1
193.26347	0.6
203.18147	0.6
206.70969	0.6
243.21191	1.6
261.22070	4.2
311.25842	1.1
317.24759	2.2
470.27689	0.7
497.43262	0.9
565.90997	1.9
571.47235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13271	1.0
53.03944	2.0
55.05515	32.3
57.03448	6.1
57.07084	12.1
59.05013	1.8
65.03928	1.6
67.05508	41.2
67.05874	2.0
69.07072	36.6
69.27491	10.7
71.04999	15.3
71.08630	9.1
77.25127	1.1
79.05502	11.4
81.07058	66.7
83.04984	2.8
83.08625	30.8
85.06548	6.7
85.10184	2.0
89.06024	2.2
91.05489	15.8
93.07067	10.3
95.04961	1.6
95.08601	8.3
97.06529	4.1
97.10179	21.5
105.07040	9.3
107.08595	7.7
109.10166	5.1
111.08118	1.2
111.11749	5.8
117.07019	1.5
121.10126	4.5
123.11703	8.9
131.08594	2.5
133.10141	12.6
135.11678	5.0
149.13306	2.4
151.11197	5.0
159.11678	3.1
169.12218	1.7
183.13795	2.4
187.13304	4.5
195.13768	1.6
201.14905	1.5
206.74829	1.2
221.15190	1.1
227.32825	1.1
235.92456	1.1
257.17468	1.9
269.17447	4.7
301.20135	19.5
311.25833	35.9
333.72247	1.1
479.37344	100.0
486.55627	1.3
493.38797	4.4
505.38882	7.6
537.41522	60.4
566.91193	2.7
572.47284	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	573.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05515	2.1
57.03419	0.4
59.43795	0.3
60.31482	0.3
61.61375	0.3
63.65868	0.3
65.03932	1.3
67.05505	3.0
69.03432	5.8
69.07063	1.3
71.05006	0.6
79.05498	3.7
81.03433	1.7
81.07056	4.3
83.04981	0.4
83.08615	0.8
85.02908	0.9
85.06552	0.4
90.24831	0.3
91.05484	10.9
93.07053	2.3
95.04973	1.2
95.08616	1.7
97.02895	1.0
97.06530	0.7
97.10160	1.2
99.04451	0.4
99.08144	0.3
105.07040	2.2
107.04964	0.9
107.08595	1.4
109.02878	0.9
109.06538	0.4
109.10187	1.0
111.08144	0.3
117.07028	1.3
119.04948	20.1
119.08559	1.6
121.06554	0.4
121.10168	1.2
123.04444	0.5
125.09624	0.5
127.03912	3.7
129.07018	0.4
131.08582	0.9
133.10123	1.7
135.08084	0.7
135.11653	0.4
143.08577	0.4
145.06371	0.3
145.10141	1.2
147.04417	100.0
147.11694	0.9
148.04665	0.3
149.09619	0.5
151.03911	0.4
157.10123	0.8
159.11707	0.5
161.09641	0.5
163.03943	0.4
163.11234	0.6
165.05484	1.2
169.04932	0.6
171.11678	0.5
175.11238	0.4
179.03424	1.0
181.04968	1.6
197.04466	4.6
201.14810	0.3
207.13855	0.5
213.05455	0.5
223.06009	0.8
227.12875	0.8
231.06618	0.5
247.09496	0.4
264.48694	0.3
265.10733	11.6
273.18219	0.4
275.20078	1.6
281.27042	0.3
289.17889	0.5
291.08636	3.5
291.19479	0.8
309.09665	5.1
411.27377	0.5
462.46655	0.4
555.36743	1.0
572.47198	0.8
573.34271	2.2
573.48010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.4
57.03430	0.5
57.07070	0.8
65.03933	1.3
67.05502	3.7
69.03442	4.6
69.07074	2.4
71.04982	0.8
71.52819	0.6
79.05492	3.6
81.03412	1.7
81.07059	4.3
83.04972	0.5
83.08619	1.6
85.02883	2.3
85.06548	0.5
91.05484	12.7
93.07039	2.3
95.04956	1.4
95.08604	2.3
97.02890	1.3
97.06504	0.5
97.10187	0.9
105.07031	2.0
107.04957	1.3
107.08582	1.7
109.02868	0.8
109.10171	0.9
114.23325	0.4
117.07005	1.3
119.04945	22.7
119.08571	1.7
121.10153	1.3
123.04453	0.7
125.09670	0.6
127.03927	2.3
129.06943	0.5
131.08534	0.9
133.10156	1.2
135.08089	0.6
135.11681	0.9
143.08536	0.8
145.06473	0.7
145.10129	1.1
147.04416	100.0
148.04915	0.5
150.04422	0.4
151.03944	1.2
159.08064	0.5
159.11691	0.7
163.04018	0.6
164.23988	0.4
165.05522	0.8
169.05000	1.0
179.03413	1.4
181.04961	1.8
197.04463	7.4
205.04987	0.7
206.50406	0.4
209.11795	0.6
223.06071	1.4
227.05574	0.4
265.10721	19.7
273.18484	0.5
275.20163	0.7
291.08676	2.3
291.19577	0.9
309.09720	1.9
427.15955	1.3
541.35284	0.9
555.33508	0.6
572.47705	1.2
573.34192	3.0
573.48132	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	573.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19855	0.1
53.03940	0.6
53.16264	0.1
55.01877	0.7
55.05498	0.3
55.39070	0.1
57.03437	1.4
61.02925	1.5
65.79031	0.1
67.01872	0.3
67.05489	0.3
69.03433	4.4
69.07068	0.2
69.96358	0.7
71.01342	0.3
71.04977	0.5
72.27052	0.1
73.02920	0.5
77.68227	0.1
79.05500	1.0
79.05886	0.2
81.03425	1.8
81.07063	4.1
83.01341	0.5
84.04508	4.3
85.02909	11.4
87.04461	0.7
91.03947	0.6
91.05528	0.1
95.04951	0.5
95.08615	0.2
97.02894	4.0
98.20795	0.1
99.04461	0.6
101.07143	0.5
102.05499	0.2
103.05465	0.2
105.03399	0.2
107.04958	0.3
109.02873	1.3
115.03954	0.2
120.27855	0.1
121.06470	0.2
123.04466	1.4
123.08051	0.2
127.03916	2.1
129.39865	0.1
130.05009	6.2
133.02850	0.2
135.04398	0.4
135.08073	0.3
137.02432	0.2
139.03903	0.6
145.04970	2.0
145.06319	0.2
147.07655	9.4
149.02319	0.2
149.06024	0.2
151.02739	0.3
151.03914	2.7
153.05458	0.3
155.03372	0.8
155.08511	0.2
159.04405	0.4
161.02319	0.3
163.03935	2.0
163.07516	0.3
165.05499	0.2
167.03413	0.6
167.07150	0.2
169.01250	0.2
169.04964	6.0
173.09627	0.2
177.05482	1.2
177.09048	0.3
179.03403	8.4
181.04964	8.6
183.02921	0.5
183.08102	0.4
185.04433	0.6
187.02467	0.2
187.03963	1.1
187.07539	0.7
191.03323	0.3
193.04942	0.5
195.02870	0.2
195.06538	1.0
197.04460	40.4
201.09116	0.6
205.04961	3.1
205.08600	1.4
209.04485	2.0
209.08084	1.2
211.05783	0.9
211.07744	0.3
218.05719	0.2
219.06734	0.2
219.10115	0.5
221.04500	0.2
221.07980	0.2
223.06035	5.6
223.09482	1.4
229.08539	0.9
232.64824	0.2
236.06599	0.1
237.07591	0.2
247.09700	2.8
265.10709	100.0
266.11041	0.7
366.04742	0.2
427.15976	5.4
593.18518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13254	0.3
53.03955	0.5
55.01873	0.6
55.05502	0.5
57.03450	1.7
58.35020	0.2
58.83865	0.3
61.02935	2.1
67.01878	0.3
67.05500	0.4
69.03077	0.4
69.03436	3.9
69.07063	0.3
69.25127	2.6
71.04984	0.4
73.02926	0.7
79.05491	1.2
81.03426	2.1
81.07069	4.5
83.01340	0.7
84.04513	4.5
85.02915	12.9
86.09673	0.3
87.04472	0.9
91.03962	1.0
91.86900	0.3
95.05005	0.4
97.02905	4.7
99.04469	1.0
101.07160	0.6
103.05482	0.3
107.08566	0.3
109.02911	1.5
115.03946	0.3
117.07030	0.3
121.06496	0.3
123.04455	1.9
127.03931	2.2
130.05022	6.8
131.04959	0.3
131.43388	0.3
135.04425	0.2
135.08051	0.5
139.03923	0.8
145.04974	1.6
147.07663	9.3
149.02412	0.3
149.06004	0.6
151.03926	2.6
153.05382	0.4
155.03397	0.9
159.04468	0.6
163.03928	2.6
163.07585	0.6
165.01811	0.3
167.03404	0.6
169.04971	6.4
177.05463	1.4
179.01874	0.5
179.03421	9.6
181.04987	8.9
183.02925	0.8
183.08078	0.3
185.04457	0.8
187.03856	0.8
187.07564	0.7
191.03412	0.3
192.90814	0.3
193.05103	0.4
195.06583	1.5
197.04480	44.8
201.09084	0.4
205.04996	2.9
205.08614	1.5
209.04578	1.9
209.08044	0.9
211.05992	1.1
219.10210	0.4
223.06036	6.1
223.09515	1.5
229.08488	0.6
247.09718	3.0
265.10733	100.0
266.10812	0.4
427.16074	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	573.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.5
53.56370	1.4
55.01880	4.8
55.05509	9.9
57.03440	5.4
59.05009	1.6
61.02925	1.7
65.03946	3.2
66.63599	1.3
67.05513	68.1
67.09630	1.4
69.03435	25.9
69.07082	9.3
71.05003	57.3
73.06545	1.5
73.24023	1.5
79.05504	22.9
81.03429	69.9
81.07066	100.0
83.04999	9.3
83.08643	9.6
85.02911	7.0
85.06548	16.5
87.04504	1.7
91.05489	33.9
93.07055	22.5
95.04993	9.3
95.08630	11.6
97.02899	14.0
97.06541	8.8
97.10206	2.5
98.20705	3.2
99.04467	8.6
103.82099	1.7
105.07043	19.1
107.05013	2.8
107.08604	20.2
109.02890	37.0
109.06507	2.9
109.10164	11.3
109.62493	1.5
111.04445	14.0
111.08083	4.1
117.07030	5.2
119.08589	4.6
121.02871	3.9
121.06514	2.3
121.10176	6.5
123.04484	2.0
123.11714	21.3
125.09624	2.4
127.03936	58.3
127.07635	1.9
129.07043	2.1
131.08569	8.4
133.10152	33.9
135.11720	9.2
139.03928	3.9
141.05476	7.0
143.03423	1.8
145.10147	2.4
147.11690	3.8
149.02356	5.0
149.13287	12.7
151.11217	19.1
153.12860	1.6
159.11716	12.1
161.22247	1.7
167.03412	19.0
169.04982	1.7
169.12265	11.8
175.11279	3.1
177.12759	10.0
179.14313	2.0
183.13841	9.7
185.04478	93.1
187.11533	2.3
187.13297	42.7
193.12250	4.8
195.13802	22.7
201.14900	21.9
203.12654	2.4
209.04526	3.8
211.06061	3.4
213.14871	5.2
223.06017	1.5
223.13341	4.4
225.14955	1.9
227.05577	6.0
229.14366	1.6
229.52997	1.9
231.13715	1.8
235.13373	2.7
243.15941	6.2
249.14932	2.7
251.05569	3.8
259.13339	2.7
275.05579	4.5
277.14456	10.1
290.69406	1.4
293.06696	1.9
295.15442	19.9
303.15845	3.5
309.16916	3.2
313.16473	75.0
321.16968	10.3
327.18112	7.8
339.18112	31.6
339.22162	1.9
357.18973	2.5
361.16367	2.0
371.20688	14.4
473.57468	1.6
487.19226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00427	0.6
53.03949	0.9
55.01863	0.7
57.03417	1.1
59.72303	0.5
61.02924	1.9
61.93685	0.5
67.01858	0.6
69.03152	0.5
69.03438	5.5
69.07089	0.6
69.17545	3.0
69.17972	2.2
71.04983	1.0
73.02899	0.7
79.05489	0.7
81.03407	1.9
81.07059	4.9
84.04488	1.1
85.02438	1.0
85.02912	13.8
87.04474	0.5
91.03951	0.8
97.02888	4.9
97.70950	0.5
109.02865	1.4
123.04441	1.8
127.03977	2.7
130.04980	1.4
133.62505	0.5
139.03937	0.9
139.17409	0.5
145.04976	2.3
147.07660	1.0
149.02370	0.6
151.03938	3.2
155.03352	0.9
159.04388	0.5
159.08182	0.5
161.02347	0.6
163.03893	2.3
169.03450	0.8
169.04947	6.7
173.02271	0.7
177.05495	1.3
179.03419	8.9
180.03784	0.7
181.04965	9.7
182.05321	0.7
185.04431	0.9
187.03958	1.2
187.07494	1.0
195.06522	0.9
197.04468	45.4
198.04782	3.4
205.04980	3.2
205.08641	1.8
209.04489	2.2
209.08070	1.4
209.71542	0.6
211.05859	1.0
223.06036	7.0
223.09677	1.8
224.06419	0.7
229.08627	0.8
247.09619	2.9
265.10730	100.0
266.11093	11.7
267.15396	0.5
427.15973	3.7
428.16379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01865	0.8
57.03422	1.9
59.05729	0.4
61.02922	1.2
63.13420	0.4
67.19932	0.4
69.03429	4.3
69.07044	0.4
69.15480	3.9
71.04989	1.0
79.05479	1.2
81.03428	3.0
81.07054	4.5
83.01332	0.6
85.02910	12.0
87.04467	0.4
91.03948	1.4
95.04979	1.1
97.02900	4.9
98.20715	0.9
99.04449	0.5
99.55821	0.4
105.06986	0.4
109.02885	1.5
123.04409	1.5
127.03956	2.2
131.04941	0.7
135.04321	0.5
139.03911	1.0
145.04942	2.6
149.05981	0.5
151.03929	3.5
155.03381	0.9
163.03941	2.7
167.03432	0.6
169.04984	6.3
177.05463	1.2
179.03398	9.5
181.04956	9.1
185.04483	0.7
187.03922	1.2
187.07581	1.0
195.06458	1.0
197.04460	42.4
201.09100	0.9
205.04979	3.4
205.08598	1.6
209.04420	2.1
209.08083	1.0
211.05930	0.9
219.10167	0.8
223.06047	4.8
223.09645	1.3
229.08656	0.6
236.06828	0.5
245.56082	0.5
247.09647	3.1
265.10718	100.0
427.15982	4.5
555.58954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75776	0.7
53.03946	1.1
55.05519	9.1
57.03453	3.7
57.07085	27.4
67.05515	36.3
69.03460	0.6
69.07077	9.6
71.05004	16.5
71.08643	18.3
73.19364	0.7
79.05511	8.3
81.07069	62.0
82.04313	0.7
83.04987	3.1
83.08633	11.0
85.06557	4.7
85.10193	10.8
87.04472	2.7
91.05499	12.1
92.11521	0.6
93.07056	8.3
95.08620	18.8
97.06532	2.5
97.10201	4.4
98.20705	1.3
99.08121	0.7
99.11741	0.8
103.07572	0.7
105.07039	6.0
107.08608	6.7
109.06557	0.7
109.10181	9.5
111.08133	0.7
111.69237	0.6
117.07030	1.3
121.10155	2.5
123.11731	11.5
125.13332	0.8
131.08569	2.2
133.10153	10.2
135.11691	1.9
137.13293	1.1
149.13255	2.6
151.11230	5.1
159.11734	2.2
171.72861	0.7
177.12737	1.5
183.13809	2.2
187.13293	2.1
195.13878	1.6
198.42296	0.7
201.14925	0.9
228.62761	0.7
239.23749	1.9
239.26175	0.7
257.17676	1.5
257.24786	1.1
269.17514	5.5
283.26416	1.0
301.20139	20.2
313.27411	25.9
395.72119	0.7
481.38971	100.0
482.39731	1.4
495.40109	3.1
507.40494	5.0
539.43146	49.9
574.49005	2.5
603.90674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93590	0.3
53.03939	0.5
54.56590	0.2
55.01864	0.8
57.02457	0.3
57.03422	1.2
61.02931	2.2
67.01874	0.5
67.05500	0.4
69.03086	0.4
69.03433	4.6
69.77483	0.6
69.77897	0.9
71.04999	0.6
73.02910	0.8
79.05486	0.3
81.03428	2.2
83.01337	1.1
84.04508	3.6
85.02907	13.2
87.04472	0.6
91.03935	0.7
95.04958	0.6
97.02901	4.9
99.04454	0.6
101.07104	0.5
105.03388	0.4
109.02883	1.5
111.69124	0.3
116.64990	0.3
123.04437	3.3
127.03911	2.6
130.05000	4.6
133.02887	0.5
145.04950	2.7
147.04431	0.6
147.07651	6.1
151.03899	6.5
161.02390	0.4
169.04968	13.6
179.03400	19.4
188.42752	0.3
197.04457	100.0
198.04869	0.3
211.05949	0.4
213.82179	0.3
215.61299	0.3
222.83670	0.2
244.08444	0.3
265.10629	0.3
267.12277	73.1
268.12354	0.5
359.09662	0.6
397.05969	0.3
429.17606	12.3
575.28162	0.9
597.20404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.05516	42.7
57.03453	2.3
57.07083	72.0
58.07421	2.8
65.03937	3.0
67.05513	59.6
68.05841	5.9
69.07077	68.4
71.04997	7.5
71.08642	60.2
71.43896	2.6
72.08968	2.0
79.05508	15.5
81.07067	100.0
82.07408	7.3
83.04987	1.9
83.08631	58.7
84.84184	1.5
85.06554	3.8
85.09810	1.1
85.10193	35.4
87.04484	5.3
91.05492	10.0
93.07054	11.3
95.08619	79.1
95.96129	1.2
97.06546	2.9
97.10181	44.4
99.08069	1.8
99.11764	4.1
100.54693	1.3
105.07053	4.6
107.08618	7.8
109.10168	53.9
111.11739	30.4
113.13345	2.0
119.08591	3.0
121.10172	5.5
123.11726	29.6
124.12026	2.1
125.13287	14.1
127.14849	2.6
133.10124	6.5
134.10493	2.7
135.11731	4.8
137.13264	9.9
139.14859	4.4
149.13313	3.1
151.11218	3.8
151.14842	6.6
153.16350	2.6
165.16396	6.9
166.17096	1.4
179.18027	2.8
213.38174	1.5
239.23834	3.0
265.25269	3.1
269.17426	1.7
301.20132	7.2
302.20441	6.0
313.27356	8.7
314.27719	8.5
319.33521	1.6
341.95044	1.7
347.36734	1.6
429.25208	1.5
430.72064	1.4
481.39069	6.8
482.39325	52.4
508.40439	2.2
540.43481	26.2
557.60431	10.2
575.41571	4.3
575.50336	69.6
575.60895	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	576.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01868	0.9
57.02433	0.5
57.03426	1.2
61.02931	2.0
64.60934	0.4
67.01850	0.5
67.05480	1.0
69.03436	5.4
69.07078	0.5
70.06590	0.9
71.52576	0.4
71.53001	0.7
73.02901	1.3
79.05474	0.4
81.03423	2.8
81.07059	0.8
83.01329	1.3
85.02907	14.0
87.04458	0.6
89.28257	0.4
91.03967	0.9
93.07000	0.5
95.04955	1.2
97.02893	5.9
99.04452	1.1
109.02862	1.9
123.04417	3.0
127.03951	3.4
130.05035	0.5
133.02826	0.7
145.04985	2.0
147.04402	1.9
151.03920	5.6
168.13806	0.5
169.04970	12.7
179.03403	18.0
194.39745	0.4
197.04454	100.0
211.05959	0.7
221.09567	0.4
267.12274	73.2
276.15891	0.5
335.50909	0.5
359.09769	0.6
414.21997	0.8
429.17569	14.4
540.24506	0.5
576.21222	0.5
576.30743	1.1
576.40845	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01849	1.4
57.02434	0.6
57.03431	0.8
61.02924	2.9
67.01874	0.5
67.05498	0.6
69.03432	5.8
69.50036	1.4
69.50443	2.0
71.04976	0.5
73.02899	0.7
81.03406	2.8
83.01346	1.3
84.04495	1.2
85.02910	15.6
87.04474	0.7
91.03939	1.3
95.04991	0.7
97.02901	5.2
99.04436	0.9
109.02857	1.4
117.97760	0.4
123.04437	2.3
127.03925	3.4
128.27234	0.5
130.05000	0.8
145.04985	2.9
147.07668	1.2
151.03917	7.1
152.04099	0.5
169.04974	14.0
170.05280	0.6
179.03406	18.9
180.03709	1.1
193.04881	1.0
197.04463	100.0
198.04800	8.8
211.06052	5.4
263.53436	0.5
265.10593	0.8
267.12289	72.1
268.12631	9.0
318.61536	0.7
373.11353	0.8
429.17609	11.1
430.17874	2.5
581.83044	0.6
588.30835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01861	5.6
55.05515	37.2
57.03439	8.1
57.07063	5.1
67.05183	6.6
67.05507	93.8
69.03415	6.6
69.07067	35.7
69.73718	21.1
71.04978	8.8
79.05495	59.9
81.07061	100.0
81.36361	3.7
83.04980	6.6
83.08608	17.7
85.06477	4.7
91.04971	6.1
91.05481	60.3
93.07050	62.2
95.04984	5.9
95.08604	62.0
95.80378	3.2
97.06529	6.9
97.10179	18.4
99.00802	4.4
105.07043	49.2
107.04956	7.1
107.08597	43.6
109.02881	7.0
109.06481	6.9
109.10165	51.7
117.06992	14.5
119.08593	34.7
121.10146	32.8
123.08074	6.9
123.11691	15.7
125.09621	9.1
129.06985	5.7
131.08533	23.1
133.10126	70.6
135.11682	21.5
137.13203	4.2
143.08537	16.3
145.10123	22.8
147.11678	11.3
149.13232	13.0
151.11206	25.9
157.10147	10.9
159.11665	16.2
161.09608	13.3
161.13202	10.6
163.11148	4.8
169.10114	7.5
171.11765	7.5
173.13232	13.0
177.16467	5.4
179.10680	6.7
185.13274	4.5
189.09290	4.1
189.11162	8.6
207.09982	4.7
215.12785	13.3
225.11246	12.6
227.12857	7.8
233.85710	4.3
236.46413	4.4
243.12236	8.8
243.20984	6.5
253.14450	6.4
259.20554	6.7
261.22131	28.6
277.21555	5.5
283.15427	4.4
299.14911	42.8
315.23196	7.1
317.24667	4.1
335.25797	38.5
363.25385	4.8
384.94171	4.3
392.70102	4.1
421.30923	4.4
457.32770	5.4
467.31671	10.8
485.32513	10.5
513.35510	12.2
527.37640	5.9
531.36639	13.4
533.90808	4.2
541.35278	33.8
545.37805	4.9
559.36334	54.5
577.37103	52.0
577.50726	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87753	2.9
53.03938	6.7
55.01862	8.6
55.05513	39.1
57.03443	16.5
57.07077	4.8
65.03947	4.3
67.05508	97.6
69.03425	5.4
69.07074	23.5
69.23505	24.2
69.55579	2.7
71.04982	12.2
79.05499	66.4
81.03417	19.6
81.07060	100.0
83.04977	9.4
83.08633	23.8
85.06540	9.2
87.43031	2.6
89.06026	2.6
91.05482	56.4
93.07050	67.0
95.04960	17.8
95.08614	54.4
97.02908	4.4
97.06541	12.3
97.10179	14.8
99.08092	3.3
101.39446	2.6
105.07037	58.7
107.04959	7.9
107.08604	36.1
108.28471	3.1
109.06528	10.6
109.10164	35.7
111.04433	4.3
111.08091	8.1
115.07582	2.8
117.07034	21.3
119.08598	43.8
121.06535	6.5
121.10134	31.7
123.08083	9.6
123.11691	11.7
125.09629	13.0
129.07013	13.2
130.07736	3.3
131.08595	35.1
133.10144	34.0
135.08017	6.6
135.11684	16.9
137.09608	6.8
142.07770	3.3
143.08516	14.8
144.09138	2.5
145.10143	29.0
147.08054	6.9
147.11702	27.1
149.09564	7.0
149.13257	12.5
151.11156	5.0
153.09058	3.1
153.12726	2.7
155.08563	8.1
157.10178	18.7
159.11717	19.0
161.09602	8.2
161.13243	10.8
163.11148	5.2
165.12773	4.4
167.08582	3.6
169.10106	11.5
171.11684	9.9
173.11966	2.8
173.13283	13.4
175.11223	5.2
175.14838	6.0
177.12703	3.3
179.14374	3.0
181.10214	3.7
181.88225	2.7
183.11702	8.2
185.13237	9.1
187.14839	6.4
189.11256	7.7
189.16490	2.9
193.12242	5.1
195.11920	2.7
195.13733	4.6
197.13237	3.5
199.14857	4.8
201.16479	3.7
209.13304	4.2
211.14929	4.4
221.13370	2.9
225.11096	3.9
225.16368	2.8
227.12839	15.4
242.56059	2.9
243.21132	5.8
245.19063	3.0
253.14203	2.8
256.87256	2.7
259.20569	3.2
261.22137	11.8
267.15939	25.5
269.14850	2.7
269.17505	9.5
271.20450	3.1
273.18631	5.9
277.21759	4.3
285.22043	4.8
287.23492	3.9
291.19531	9.2
293.21072	6.6
297.22168	3.7
299.14691	3.4
299.23541	4.5
301.25244	11.2
303.23236	3.4
317.21121	3.8
317.24631	3.8
323.23444	3.1
335.25916	22.0
338.28036	3.3
359.25827	4.8
363.25510	5.2
365.23285	4.4
417.31448	5.4
435.27197	3.3
435.32819	13.4
453.33759	12.6
471.34729	8.0
501.35468	3.3
509.36234	8.0
527.37311	68.2
541.34833	5.1
545.38446	57.9
559.36859	20.5
577.38647	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01885	5.2
55.05519	38.6
57.03438	11.5
57.07074	2.4
59.04997	3.2
65.03935	5.2
67.05515	92.0
67.05881	5.0
69.03405	4.1
69.07075	26.6
70.10954	9.9
71.05003	20.2
74.90310	2.2
79.05074	4.8
79.05502	63.5
80.13007	2.1
81.03442	22.8
81.07066	95.5
83.04977	9.7
83.08640	25.1
85.06559	13.4
91.05490	56.6
93.07055	68.0
95.04987	15.4
95.08070	4.2
95.08620	58.5
97.06528	13.4
97.10168	16.2
100.65120	3.1
103.05466	3.0
105.07050	51.9
107.04929	4.5
107.08615	38.5
109.06516	6.8
109.10182	34.3
110.51643	2.3
111.08082	7.9
117.07040	18.8
119.08602	40.4
121.06500	3.6
121.10155	38.1
123.08070	7.0
123.11754	14.5
125.09664	13.8
129.07025	12.8
131.08588	38.8
131.11502	2.8
133.06561	2.7
133.10135	29.8
135.08032	7.1
135.11707	19.4
137.09665	5.4
137.13255	4.8
139.07491	2.7
139.11095	3.5
142.58510	2.9
143.08577	10.8
145.10150	28.2
147.11703	24.7
149.09624	9.5
149.13243	9.1
151.11153	5.0
153.12775	2.8
155.08597	11.4
157.10155	20.3
159.08022	3.1
159.11693	24.6
161.13257	13.8
163.11186	3.1
163.14873	4.6
165.12729	5.2
169.10127	4.3
171.11725	13.8
173.11931	2.5
173.13264	14.4
175.11174	5.4
175.14880	5.6
177.12769	3.4
179.14328	2.4
181.10179	4.0
183.11671	9.7
185.13280	10.8
187.14838	8.6
189.11237	7.5
193.12254	13.4
195.11792	4.8
195.13878	3.6
197.13326	6.7
199.14906	8.1
201.14801	2.6
201.16412	4.2
205.15994	2.6
211.14871	4.6
213.16455	5.0
221.13243	3.6
223.14954	3.8
227.12720	17.1
239.16275	3.7
243.21188	3.5
247.16873	3.7
259.20599	4.6
261.22147	13.5
267.15973	32.8
273.22156	3.3
275.19952	2.9
285.22183	4.0
287.23761	4.1
289.21661	6.1
299.23810	2.7
301.25308	12.9
303.23099	2.9
315.23013	3.1
335.25873	31.1
357.27853	3.0
359.25766	3.5
363.25320	6.8
417.31537	7.9
421.25900	2.7
435.27371	4.0
435.32614	18.6
453.33621	20.0
471.34540	9.3
501.35553	3.7
509.36176	10.5
527.37396	100.0
545.38434	86.8
559.40179	18.2
577.41376	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	578.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01874	0.4
57.03427	1.1
57.51277	0.3
59.04994	1.2
61.02924	1.4
65.20142	0.3
67.01856	0.5
69.03436	5.2
70.04302	0.2
70.06592	0.4
71.04983	0.9
71.17151	0.3
71.17494	0.3
73.02921	0.7
77.14890	0.2
79.05492	0.3
81.03426	1.5
81.07074	0.5
84.08134	0.4
85.02913	10.4
86.09701	0.6
87.04470	1.1
89.06023	1.2
91.03978	0.6
91.05460	1.1
95.04971	0.3
97.02376	0.4
97.02918	4.0
97.95069	0.3
98.09823	0.3
99.04443	0.8
103.07574	1.2
109.02874	1.2
115.60744	0.3
119.04970	1.5
123.04378	0.5
127.03924	2.3
133.08592	0.8
137.05956	0.9
145.03969	0.4
145.04945	2.2
147.04424	6.1
147.10124	0.3
151.03911	0.7
155.03404	0.4
163.03932	0.6
165.05507	2.4
169.04982	2.1
175.03949	3.2
179.03430	0.7
181.04990	1.1
183.06546	1.4
193.04990	15.6
197.04451	4.0
211.06033	100.0
212.06374	0.5
223.06065	0.4
265.10724	10.6
265.13577	0.6
276.84201	0.3
283.11734	1.5
287.22485	0.3
373.11328	21.7
427.16022	2.1
445.17178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03428	0.8
58.43555	0.5
61.02914	2.0
69.03435	4.2
70.06602	2.3
70.27156	0.5
70.64101	1.2
71.04979	1.4
72.08137	0.6
76.02235	0.7
79.05466	0.6
79.84155	0.4
81.03408	1.6
81.07085	0.6
84.08131	0.7
85.02913	11.5
86.09706	1.1
87.04461	0.5
87.96442	0.4
91.03941	1.2
91.05479	2.0
95.05022	0.5
97.02908	4.4
97.06490	0.5
99.04463	0.5
105.07021	1.2
107.08565	0.6
109.02860	1.4
118.06557	0.4
119.04945	1.5
119.08605	0.8
120.08055	0.6
123.04414	0.9
127.03911	2.5
129.10252	0.5
129.25320	0.4
130.04912	0.5
133.10121	0.5
137.05945	1.0
145.04950	1.8
147.03380	0.6
147.04425	5.6
149.09738	0.6
151.03880	0.6
155.03334	0.5
163.03934	0.7
165.05467	2.0
167.07016	0.6
169.01160	0.5
169.04948	1.8
171.11710	0.7
175.03925	2.4
179.03360	0.9
179.04840	0.6
181.05032	0.8
183.06516	1.4
189.12738	3.8
193.04980	13.7
197.04439	3.0
207.13737	1.0
211.06029	100.0
261.22818	0.5
265.10748	8.8
283.11731	1.3
287.05463	1.0
339.10822	0.7
361.02344	0.6
373.11316	24.0
415.13657	0.5
427.15802	1.4
517.48102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.55322	0.7
55.05520	4.8
57.03436	1.1
57.07074	5.1
61.02915	2.9
65.03903	0.7
67.05495	1.4
68.85181	0.9
69.03426	5.3
69.07063	1.0
70.06573	1.3
71.04998	0.9
71.52906	1.1
76.02220	0.9
79.05495	1.7
81.03410	2.6
81.07058	2.2
83.01340	0.8
85.02912	9.8
86.09701	1.4
87.08109	28.3
91.05470	2.3
93.07076	1.1
95.04957	1.3
97.02899	5.3
97.06536	1.4
99.04487	0.8
103.64194	0.8
109.02872	1.0
111.08100	0.7
119.04935	2.8
119.08559	1.1
123.04409	1.3
127.03905	2.9
145.04947	2.7
147.04416	10.4
165.05470	2.0
169.04955	1.1
175.03908	2.7
179.03323	1.4
181.08606	0.8
183.06526	1.4
193.04982	15.4
197.04445	9.7
211.06017	100.0
217.10777	2.0
240.75237	0.8
265.10721	16.5
267.12314	4.8
268.12494	0.8
281.85468	0.8
297.13437	4.0
331.12256	1.7
331.62421	1.1
361.02249	1.1
373.11304	13.4
381.22510	1.1
427.16074	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	578.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.55322	0.7
55.05520	4.8
57.03436	1.1
57.07074	5.1
61.02915	2.9
65.03903	0.7
67.05495	1.4
68.85181	0.9
69.03426	5.3
69.07063	1.0
70.06573	1.3
71.04998	0.9
71.52906	1.1
76.02220	0.9
79.05495	1.7
81.03410	2.6
81.07058	2.2
83.01340	0.8
85.02912	9.8
86.09701	1.4
87.08109	28.3
91.05470	2.3
93.07076	1.1
95.04957	1.3
97.02899	5.3
97.06536	1.4
99.04487	0.8
103.64194	0.8
109.02872	1.0
111.08100	0.7
119.04935	2.8
119.08559	1.1
123.04409	1.3
127.03905	2.9
145.04947	2.7
147.04416	10.4
165.05470	2.0
169.04955	1.1
175.03908	2.7
179.03323	1.4
181.08606	0.8
183.06526	1.4
193.04982	15.4
197.04445	9.7
211.06017	100.0
217.10777	2.0
240.75237	0.8
265.10721	16.5
267.12314	4.8
268.12494	0.8
281.85468	0.8
297.13437	4.0
331.12256	1.7
331.62421	1.1
361.02249	1.1
373.11304	13.4
381.22510	1.1
427.16074	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	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01873	2.6
55.05516	12.4
57.03446	7.9
57.07074	2.9
59.05014	1.0
65.03940	1.7
67.05509	39.9
69.03429	1.3
69.07075	10.7
71.04999	2.4
75.23843	1.2
79.05499	29.6
81.03384	1.1
81.07060	37.3
83.04982	2.7
83.08630	9.4
88.88129	1.1
91.05490	13.4
93.07047	37.6
95.04965	4.0
95.08614	42.7
97.02851	2.0
97.06532	2.9
97.10147	1.1
98.42132	1.1
99.04466	2.0
105.04549	1.7
105.07049	10.6
107.04930	4.4
107.08598	26.0
109.06557	2.2
109.10164	10.5
111.08077	1.6
117.07030	7.9
119.08594	9.9
121.06508	3.9
121.10149	12.8
123.11720	3.4
125.06026	1.9
131.08598	4.1
133.10139	4.9
135.08044	2.2
135.11702	34.8
139.07538	1.8
145.10117	17.4
147.11682	1.9
149.13287	2.0
159.11755	1.6
161.13303	1.4
163.11192	30.2
173.13226	1.2
175.14883	1.6
181.12215	6.0
209.11705	1.1
227.12807	46.1
231.52954	1.1
261.22089	5.3
283.15411	34.0
308.80341	1.2
335.25815	100.0
336.26346	1.6
375.60995	1.1
388.31815	1.0
462.08673	1.2
528.37909	1.8
543.36853	52.6
546.38458	1.6
549.20837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01885	3.1
55.05516	13.4
57.03444	7.7
57.07069	2.1
63.47038	1.3
65.03941	2.4
65.97509	1.5
66.88074	1.2
67.05511	39.7
69.07070	11.8
69.94923	3.6
71.04992	3.3
73.02908	2.3
79.05111	1.4
79.05493	37.1
79.13116	1.5
81.03402	3.4
81.07059	40.4
83.04981	4.5
83.08614	9.7
85.06541	1.7
91.05491	15.4
93.07050	53.6
93.07641	2.6
95.04993	7.4
95.08613	56.8
97.02889	4.5
97.06538	5.4
97.10201	1.8
98.21535	1.6
99.04449	2.6
104.84168	1.5
105.07029	13.4
107.04939	6.9
107.08601	37.8
109.06493	2.9
109.10129	10.1
111.08064	1.8
113.09624	1.6
117.07054	9.9
119.08600	15.6
121.06525	4.8
121.10146	19.0
125.06042	1.7
130.22731	1.5
131.08572	5.4
133.10164	4.6
135.11700	50.3
143.10674	1.6
145.10123	31.5
147.11703	3.3
149.13318	4.0
153.12886	2.0
155.54570	1.6
159.11768	2.3
159.98517	1.4
161.13234	1.7
163.11192	52.7
163.14815	2.0
173.13248	2.0
175.16135	1.4
181.12201	9.5
209.11731	2.9
227.12793	88.5
261.22089	6.3
273.63428	1.6
283.15411	80.0
306.60287	1.6
317.24661	1.7
326.16534	1.4
335.25812	100.0
508.53448	2.0
543.36877	70.7
578.37628	2.0
578.51892	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	579.1501
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
53.03927	0.9
55.01868	1.7
55.30128	0.6
65.03933	0.9
67.05512	0.9
68.99500	0.6
68.99809	4.2
69.41428	1.8
69.41847	2.8
70.06592	1.5
77.03964	0.7
79.05511	0.6
81.03416	3.1
84.04498	0.8
85.02921	1.0
86.09717	0.8
89.03917	1.3
93.03407	0.9
95.04974	1.2
97.02882	0.6
99.04463	1.3
104.24457	0.5
105.03391	1.0
107.04955	3.7
109.02885	3.3
111.00812	3.4
111.04470	2.2
115.05457	0.6
119.04946	2.4
121.02899	1.8
123.04446	49.2
127.03932	100.0
131.04951	2.0
135.04433	30.3
137.02359	2.8
139.03917	51.7
141.06976	1.1
145.06491	0.8
145.57056	0.6
147.04425	7.9
149.01288	0.6
149.02345	3.8
149.06013	2.3
151.03938	7.0
159.04390	3.0
161.05966	4.3
163.03925	35.6
165.05508	6.2
167.03438	7.7
167.04788	0.9
167.07065	0.7
169.06517	1.2
173.06003	3.5
175.03903	3.3
175.07536	0.6
177.05515	4.7
179.03410	3.6
179.07040	0.9
181.05006	0.9
183.04466	1.1
185.06027	1.7
187.03928	7.0
187.07515	1.0
189.05540	3.0
189.88429	0.6
191.03398	10.7
193.04985	4.1
197.06003	4.4
201.05495	7.3
203.03386	8.2
203.07043	1.7
205.04971	8.1
206.05760	0.6
207.06566	1.8
213.05478	1.5
215.03450	0.9
215.07036	2.3
217.05043	1.5
225.05522	1.5
229.04953	8.3
231.06572	1.3
233.04515	5.9
237.05476	0.7
241.04973	0.9
243.06593	5.0
245.04491	7.0
247.06056	15.8
247.08485	1.2
251.05603	1.7
253.04799	0.8
255.06456	1.5
257.04477	10.9
258.05396	0.9
259.06067	8.0
269.04456	2.2
271.06064	19.5
273.07660	1.6
275.05505	15.3
283.06012	7.0
285.07578	0.9
287.05530	23.2
289.03879	1.0
289.07104	16.4
291.08640	14.5
299.05493	3.8
301.07114	14.1
303.08698	3.3
313.07260	0.8
333.09860	0.6
409.03763	1.3
409.09225	26.8
411.11093	3.0
421.09372	1.6
427.10159	8.1
435.10916	1.2
439.10300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
50.80758	0.6
55.01879	1.2
61.02912	0.6
62.55470	0.8
65.03935	0.9
67.05499	1.5
68.99794	3.2
69.03430	1.4
69.17083	0.6
70.06587	2.4
71.52199	0.7
77.03929	0.8
81.03423	1.4
84.08146	0.8
85.02892	2.0
86.09699	1.0
89.03901	0.8
91.05487	1.8
93.03377	1.3
95.04957	1.8
97.02934	0.7
105.03387	2.4
107.04951	2.4
109.02908	1.8
111.00794	2.1
111.04443	2.4
119.04911	3.7
123.04430	100.0
127.03918	39.6
129.10184	0.9
131.04921	1.0
133.06503	0.8
135.04420	20.1
137.02351	2.6
139.03902	35.6
143.04933	0.9
145.06485	0.8
147.04417	12.8
149.02354	2.6
149.05986	1.1
151.03918	6.4
153.07004	0.9
155.04941	1.5
156.32457	0.6
156.41580	0.6
159.04440	2.2
161.06042	3.4
161.53607	0.6
163.03909	26.8
165.05487	9.8
165.20514	0.7
167.03392	4.3
167.07042	0.6
169.06531	0.9
172.44067	0.6
173.05989	2.8
175.03929	3.5
177.05479	2.9
179.03403	8.0
179.06944	0.9
181.04970	2.3
181.06464	1.1
183.04518	1.0
185.06010	2.1
187.03841	4.7
189.05470	4.1
191.03392	8.1
193.04982	8.6
197.06042	1.7
198.55624	0.7
201.05453	5.9
203.03395	11.5
203.07065	1.7
205.04994	2.1
207.06589	2.1
213.05438	3.7
215.03416	1.5
215.07115	1.8
217.05023	4.1
219.06689	0.8
227.07066	0.9
229.04958	6.5
231.06528	2.9
233.04521	2.9
237.05559	0.7
238.07886	0.9
241.04828	3.2
243.06609	2.6
245.04465	16.4
247.06027	18.7
253.04958	2.0
255.06572	4.7
255.10510	0.9
257.04453	19.0
258.05222	2.6
259.06094	5.2
261.07755	0.6
269.04437	3.3
271.06003	13.3
273.07596	2.6
275.05502	18.2
283.06039	7.7
285.07471	4.0
287.05484	46.3
289.07068	8.6
291.08630	13.4
291.11655	1.1
299.05533	9.0
301.07053	14.8
303.08710	2.8
311.05432	0.9
313.07065	3.0
315.08646	0.7
331.08197	1.4
333.09607	1.9
391.07858	1.3
409.09161	38.3
411.10822	1.5
417.09537	1.4
421.09161	1.8
427.10205	7.4
435.10876	7.8
439.09985	4.0
440.20758	0.7
453.11957	5.7
561.13934	1.2
579.14075	1.4
579.21399	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	579.1499
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
53.03946	0.8
55.01878	1.4
65.03946	0.7
67.01882	0.7
67.05495	0.7
68.99785	4.3
70.69012	1.1
79.05483	0.8
81.03423	3.1
83.04990	0.6
89.03905	1.0
95.05006	1.1
99.04428	1.1
103.05498	0.6
107.04964	3.1
109.02895	3.7
111.00804	2.2
111.04435	2.3
117.03374	0.7
119.04928	1.0
121.02872	1.3
123.04436	33.5
127.03922	100.0
131.04947	1.1
135.04422	26.6
137.02339	2.9
139.03908	45.1
141.06970	1.3
143.04942	0.7
145.06419	0.7
147.04393	5.7
149.02354	4.5
149.05948	1.3
151.03908	8.6
157.06464	1.2
159.04434	2.8
161.05981	3.1
163.03909	33.7
165.05499	5.4
167.03407	6.9
167.63332	0.6
169.06499	2.2
173.06007	2.6
175.03941	3.8
177.05482	3.8
179.03384	2.4
181.06407	0.8
185.05960	0.8
187.03816	4.7
187.05293	0.5
189.05482	2.0
191.03407	10.6
193.05006	2.6
194.17125	0.6
197.06001	2.9
201.05487	4.8
203.03418	7.7
203.06999	1.7
205.04996	2.2
207.06479	1.1
213.05518	1.4
215.03468	1.6
215.06985	3.1
217.05054	1.4
225.05565	1.4
229.04956	5.9
231.06522	1.9
233.04457	5.2
241.05067	0.8
243.06548	4.1
245.04475	6.1
247.06032	14.8
251.05476	1.1
253.05005	0.7
255.06575	1.5
257.04477	7.8
259.06061	9.0
269.04495	1.9
271.06036	19.1
273.07626	1.0
275.05499	12.6
283.05969	5.5
287.05515	17.6
289.07089	14.1
291.08630	12.3
294.32950	0.6
299.05405	3.2
301.07074	11.6
303.08670	2.3
313.07285	0.6
315.08905	0.6
386.44516	0.6
409.09207	24.4
411.10745	2.8
420.23914	0.6
421.08917	1.1
423.04922	0.6
427.10291	6.7
435.10861	0.6
439.10330	0.8
474.89249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02383	1.0
53.03946	2.1
55.01872	2.7
67.01835	0.9
68.99799	6.9
71.03185	1.0
71.03517	1.7
71.21121	1.1
77.03941	1.2
79.05518	1.2
81.03423	3.0
84.92339	0.9
91.05447	1.3
93.03388	1.1
95.04954	1.6
99.04455	1.0
103.05439	1.1
105.03419	1.5
107.04950	3.1
109.02898	2.8
111.00818	3.5
111.04453	3.1
119.04961	3.0
121.02882	1.4
123.04433	72.7
127.03923	100.0
131.04977	3.0
135.04417	35.6
137.02364	7.2
137.05923	1.5
139.03912	75.7
143.04936	1.3
147.04411	12.3
149.02370	7.2
149.05966	2.4
151.03909	13.9
159.04456	3.1
161.05988	3.9
163.03914	42.3
165.05496	8.7
167.03447	7.8
169.06511	1.8
173.06015	2.4
175.03905	5.4
177.05464	4.5
179.03429	5.4
181.05019	1.7
183.04294	1.1
185.06006	2.0
187.03899	7.1
189.05498	2.6
191.03387	15.8
193.04990	3.7
197.06020	4.1
201.05495	8.0
203.03406	14.7
203.07088	2.6
205.04999	4.2
207.06578	2.0
210.06419	1.0
213.05490	3.6
215.03416	1.7
215.06967	2.4
217.05009	3.2
225.05478	1.2
229.04956	12.9
231.06534	3.7
233.04520	10.3
241.04991	2.1
243.06532	5.5
245.04407	9.8
247.06055	29.6
251.05508	2.1
253.04886	1.6
255.06488	2.7
257.04492	15.6
259.06052	18.1
269.04425	4.2
271.06000	20.3
273.07608	2.0
275.05499	21.5
283.06091	11.1
285.07825	1.9
287.05530	30.2
289.07080	16.1
291.08615	15.7
299.05417	5.7
301.07077	24.2
303.08636	4.1
311.05444	1.1
315.08652	1.2
378.38721	1.1
409.09210	38.0
411.10696	2.6
421.08987	3.3
427.10199	14.9
435.10669	2.6
439.10187	2.5
453.11783	1.3
545.60876	1.1
579.14484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]catechin
Peak:m/z	Relative Intensity
55.01868	2.1
65.03947	1.3
68.99789	2.8
71.03071	1.3
77.03945	1.3
83.01323	1.1
84.49236	0.9
85.02879	1.1
91.05467	1.7
95.04978	1.3
99.90377	0.8
105.03423	1.1
107.04956	1.7
111.04447	3.2
115.05464	2.0
119.04946	5.3
121.02872	2.5
123.04438	69.6
127.03899	3.9
131.04930	1.0
135.04427	5.0
137.02330	1.3
139.03909	100.0
141.06982	2.2
143.04910	2.7
147.04404	13.5
149.05978	1.3
151.03882	2.8
153.01913	1.1
153.05428	3.9
157.06474	1.8
159.04356	1.8
161.06020	12.1
163.03911	70.8
165.05458	3.9
167.03381	1.1
169.06502	3.2
171.04359	2.4
173.06009	1.5
175.03923	2.3
183.04449	1.2
185.06026	4.5
187.03906	2.1
189.05470	3.9
191.03441	0.9
197.06012	7.5
201.05522	4.9
205.04918	1.9
209.05917	0.9
213.05443	7.2
215.07028	2.3
217.04913	2.6
225.05479	7.3
229.04941	9.1
231.06535	2.5
237.05482	1.5
241.04935	10.4
243.06523	9.6
245.04399	1.8
246.04971	0.9
247.06009	15.3
253.04953	4.1
255.06635	2.6
257.04459	1.7
259.06027	45.4
265.04938	1.8
269.04211	1.0
271.06039	15.9
275.05447	1.6
283.05896	4.5
287.05478	2.5
289.07086	22.5
295.05988	1.1
301.07028	6.5
307.92545	0.9
331.09711	1.0
375.08618	1.5
391.08148	2.7
393.09729	7.8
405.09683	1.3
409.09198	40.6
411.10773	4.2
417.09470	1.8
421.09100	2.1
423.10962	7.2
427.10281	8.4
433.09357	1.1
435.10782	2.0
441.11652	9.3
447.98047	1.0
543.12872	1.6
561.13629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02363	0.9
53.00269	0.4
53.03921	0.8
55.01884	1.8
55.11846	0.3
65.03912	0.7
67.01851	0.4
67.05478	1.2
68.99795	3.9
69.03436	0.4
70.06573	0.8
71.09031	0.7
72.08144	0.4
74.30556	0.4
75.19293	0.3
77.03917	1.7
79.05470	0.9
81.03427	3.1
83.04992	0.7
84.04478	0.6
85.02885	1.8
86.09680	0.5
88.03988	0.4
89.03901	1.2
91.05440	0.8
93.03386	1.3
95.04988	2.0
97.02882	0.7
99.04427	1.0
103.05457	0.7
105.03394	1.6
105.04508	0.6
105.06982	0.5
107.04958	4.3
109.02887	3.7
111.00826	1.9
111.04428	2.6
115.05495	0.8
117.03391	0.6
117.07036	0.3
119.04964	5.1
121.02874	1.6
123.04433	94.9
127.03921	100.0
131.04939	2.7
133.06546	0.4
135.04420	36.4
137.02344	4.1
137.06039	0.5
139.03906	35.1
141.06989	1.2
143.04971	1.3
145.06509	1.0
147.04413	14.1
149.02362	3.9
149.06000	2.2
151.03923	7.1
153.01846	0.6
153.06970	0.8
155.04912	0.6
157.06548	0.9
157.07700	0.5
159.04445	4.0
161.05998	5.2
163.03908	40.1
165.05495	9.0
165.06880	0.6
167.03406	7.1
167.04764	0.7
167.07080	0.5
169.05135	0.7
169.06566	1.6
171.04469	0.7
171.99666	0.3
173.06004	4.2
175.03915	3.4
175.07571	0.5
177.05507	3.8
179.03416	5.3
179.04739	0.4
179.07054	0.6
181.05011	2.4
181.06419	0.7
183.04497	1.1
185.06017	1.8
185.07568	0.3
185.39009	0.3
187.03859	6.0
187.07626	0.6
189.05458	4.2
189.06740	0.4
191.03406	8.7
191.05032	0.5
193.04971	6.7
193.06454	0.5
197.05984	4.7
199.07635	0.6
201.05478	6.0
202.06328	0.5
203.03401	10.3
203.06927	2.6
205.04933	2.4
207.06535	2.2
211.04056	0.4
213.05504	2.6
215.03548	1.4
215.07021	2.9
217.04985	3.5
218.30074	0.4
218.33180	0.4
219.06541	0.6
221.04509	0.6
223.06079	0.4
225.05539	1.9
227.03459	0.6
227.07143	0.8
229.04955	7.3
231.06487	2.2
233.04364	2.4
241.04935	2.4
243.06551	5.2
243.08543	0.4
245.04459	13.0
247.06036	15.5
253.05153	1.4
255.06468	2.8
257.04456	17.0
258.05292	2.5
259.06042	5.5
265.05234	0.5
267.06659	0.5
269.04443	3.0
271.06030	21.4
273.07822	1.6
275.05481	14.0
281.04703	0.5
283.06009	6.6
285.04660	0.7
285.07404	2.0
287.05511	35.4
289.07092	14.1
291.08661	12.1
297.07651	0.5
299.05515	9.1
301.07062	8.2
303.08636	3.7
311.05841	1.3
313.07336	1.6
325.07291	0.5
331.08301	0.5
333.09973	1.3
341.10541	0.4
391.08191	0.7
409.03854	1.1
409.09195	34.9
411.10699	4.0
421.02313	0.4
421.09692	1.6
427.10294	7.1
435.10861	5.4
439.10309	5.3
451.10455	0.8
453.12091	2.2
462.53809	0.4
561.14807	0.9
579.15723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
60.94730	0.3
65.03952	0.8
67.05501	1.2
70.87186	0.7
73.89903	0.3
74.11154	0.3
75.08839	0.3
79.05492	0.5
81.02487	0.3
81.03399	0.3
81.07077	0.7
81.96403	0.3
83.04974	0.9
83.08614	0.3
84.29880	0.4
85.02909	0.4
86.09680	0.3
91.03982	0.3
91.05485	9.6
93.07040	0.7
95.04983	0.4
95.08598	0.3
97.02865	0.5
104.30516	0.3
105.07036	0.5
109.10168	0.5
111.04443	0.6
117.07043	0.4
119.04952	23.3
121.02918	0.4
127.03938	0.5
147.04422	100.0
153.01877	0.5
164.88306	0.3
165.01903	0.5
198.18202	0.3
210.00861	0.3
213.05499	0.3
287.05530	8.8
293.10242	2.4
429.10019	0.3
441.00763	0.3
579.20013	0.5
579.29626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
55.01865	0.4
55.05515	0.5
57.03413	0.3
65.03926	0.8
67.05505	0.7
69.03425	0.6
69.07065	0.2
69.45552	1.6
70.02933	0.2
70.06586	0.3
76.33533	0.2
77.74186	0.2
79.05491	0.6
81.03414	0.4
81.07064	0.8
83.05003	1.6
85.02902	1.0
91.05489	7.5
93.07078	0.5
95.08631	0.3
97.02885	0.4
98.85107	0.2
105.07027	0.3
107.05009	1.1
107.08609	0.3
109.02864	0.2
109.10165	1.0
111.04437	1.1
119.04950	20.2
119.08591	0.5
121.02869	0.9
121.10136	0.3
131.08554	0.3
133.10172	0.3
143.08656	0.2
145.04851	0.2
145.10063	0.4
147.04420	100.0
161.05992	0.2
165.05518	0.2
173.06116	0.2
179.03403	0.7
185.05910	0.2
191.14325	0.4
197.04485	2.7
201.05536	0.6
211.05994	0.2
221.04637	0.3
233.15321	1.2
243.06512	0.3
261.07651	0.2
263.09216	0.4
275.09164	3.2
287.05527	4.4
287.08539	0.4
293.10199	4.3
299.05673	1.1
311.05280	0.6
329.06714	0.7
343.11722	0.5
353.06415	0.4
359.09808	0.3
379.08170	0.3
381.17090	1.4
397.09259	0.7
399.18063	3.0
417.19467	0.6
561.23468	0.9
579.15070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03933	0.9
55.05509	2.5
57.03448	11.6
59.04995	1.7
69.03438	7.0
69.23104	3.4
69.23524	5.0
71.01326	1.0
71.05004	62.8
73.01156	1.0
73.02927	13.7
75.04490	2.3
79.10593	0.8
79.19384	0.8
83.04993	12.2
84.08159	1.3
85.02919	74.2
86.09732	1.3
87.04478	2.2
95.04978	2.7
98.21632	1.4
99.04485	6.0
101.06012	0.9
107.04942	1.0
109.02911	1.4
111.00800	0.9
111.04453	7.7
113.06013	1.2
117.05519	11.1
120.08134	2.1
121.02881	5.5
127.03941	2.1
129.05493	23.4
136.09267	1.0
147.04491	1.3
147.06535	6.9
153.01849	2.3
153.05472	2.2
163.06030	12.9
213.05539	1.2
213.07579	1.2
239.09126	2.7
287.05545	100.0
299.05551	7.2
300.06210	2.0
311.05511	2.0
325.07135	3.2
326.15451	0.9
329.06616	20.0
337.06876	1.6
351.08606	1.0
353.06610	6.5
379.07968	5.2
397.09232	12.7
415.10486	6.3
433.11349	17.0
507.51749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
54.24318	1.5
55.01867	3.5
55.05505	11.6
57.03435	6.1
57.07068	5.2
65.03941	3.1
67.05505	66.5
69.03417	4.6
69.07063	12.2
70.68743	2.2
70.69066	2.6
71.04975	2.0
73.02916	4.1
75.04485	1.5
79.05070	2.7
79.05495	35.9
79.62374	1.6
81.03417	4.3
81.07058	76.0
83.08624	7.4
85.02907	3.1
85.06549	1.9
91.05482	16.5
93.07042	49.1
95.04975	2.9
95.08608	54.0
97.02898	1.9
97.06528	2.9
97.10184	4.3
98.98457	8.4
99.04426	3.0
105.07023	15.1
107.08600	33.7
109.02885	7.9
109.10164	33.5
110.03648	4.0
111.04441	4.5
111.08070	2.5
117.07009	8.2
119.08582	15.2
121.10143	32.7
122.39621	1.5
123.08101	1.8
123.11710	15.0
127.03923	6.2
131.08582	18.3
133.10141	12.8
135.11684	26.9
137.09546	2.3
137.13229	6.8
139.11205	1.6
145.10104	13.2
147.11685	10.4
149.02368	3.0
149.09566	2.5
149.13249	17.1
150.02592	1.9
151.14781	3.3
153.12935	1.5
155.01036	9.3
159.11678	14.8
161.13283	10.3
163.14828	16.3
165.12764	2.4
173.13245	14.2
175.14822	4.8
177.12891	1.6
177.16447	3.9
179.14328	2.5
184.07433	2.6
187.14850	7.2
189.16403	1.5
191.00154	3.2
191.14317	2.0
201.16406	3.1
205.15883	2.6
211.92740	1.5
212.48012	1.4
215.18001	1.6
233.22563	3.1
243.21080	31.1
261.22141	100.0
263.23703	2.8
279.23230	6.4
303.23019	1.7
335.25815	29.1
337.27505	8.0
353.26877	92.9
369.24106	2.2
377.26874	2.7
443.28119	1.8
451.21130	2.0
469.22321	1.7
473.19501	1.9
487.23596	2.0
543.36761	2.4
561.27277	10.2
561.35748	2.1
579.14063	2.2
579.27930	3.4
579.38672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01873	1.0
55.05515	13.2
57.03439	9.9
57.07071	4.6
65.03928	2.2
67.05505	52.7
69.03419	2.0
69.06721	1.2
69.07071	14.3
71.04976	2.4
71.08604	2.5
71.52520	0.9
73.24682	0.7
79.05495	21.8
81.03423	10.9
81.07058	55.1
83.04972	2.0
83.08623	11.9
85.02902	1.7
85.06563	1.2
89.78091	0.8
91.05473	14.3
93.07045	19.7
95.04961	2.8
95.08609	47.9
97.06532	4.5
97.09740	0.6
97.10181	6.2
98.98469	100.0
99.04458	2.7
99.08059	2.4
105.07030	9.0
107.08592	13.1
109.02892	6.0
109.06525	1.3
109.10157	22.3
111.08125	2.0
111.11707	0.8
116.99508	0.9
117.07019	2.3
119.08562	8.1
121.10154	13.2
123.08031	1.1
123.11731	8.6
125.09619	1.5
127.03906	2.4
129.07057	1.2
131.08598	2.0
133.10123	9.7
135.11682	7.4
136.60228	0.7
137.09608	1.5
137.13231	4.4
139.11163	1.4
140.01071	1.1
141.12784	0.9
143.08594	1.2
145.10127	2.3
147.11696	5.7
149.13263	4.4
151.14813	3.6
155.01044	91.6
159.11781	1.1
161.13225	5.2
163.11205	1.3
163.14845	4.2
165.16353	2.1
173.02112	1.1
173.11723	0.8
173.13290	1.0
175.14828	2.5
176.79224	0.8
177.16385	1.1
179.14203	1.0
187.14793	1.0
189.16489	1.7
193.12102	0.8
196.03702	1.4
197.04448	1.3
205.00421	0.9
209.11621	0.9
225.01624	1.1
227.12703	1.0
243.02641	2.7
243.20943	1.0
245.13916	1.5
245.22661	12.8
261.22256	1.4
263.23706	32.3
299.05112	2.2
301.16605	1.7
317.06326	14.2
319.26324	1.7
335.25848	3.2
337.27371	74.4
407.27957	1.1
425.29056	5.5
543.36346	1.8
561.27936	3.8
561.37518	5.0
579.23737	1.2
579.38251	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03949	6.9
55.01864	8.5
55.05515	26.9
56.78094	2.7
57.03444	14.4
57.07089	2.9
65.03943	3.1
67.05511	100.0
69.03428	4.8
69.07069	24.8
70.55695	2.6
71.04995	8.0
71.08638	2.5
71.52624	3.7
79.05067	5.0
79.05498	61.3
81.03410	14.2
81.07065	83.6
83.04986	16.9
83.08620	17.6
85.02909	7.4
85.06551	4.2
87.04480	2.8
91.00581	2.4
91.05490	50.8
91.06023	4.4
93.07051	67.5
95.04976	11.6
95.08619	62.7
97.06509	12.8
97.10188	10.3
99.08113	3.3
105.07047	39.6
107.04955	15.2
107.08607	42.7
109.06503	4.8
109.10170	39.9
111.04451	12.6
111.08065	8.4
111.11700	2.5
117.07043	16.8
119.08602	35.8
121.06518	5.1
121.10151	41.7
123.08106	7.9
123.10869	3.2
123.11736	11.0
125.05925	3.1
125.09650	7.9
128.32333	2.5
129.07028	9.8
131.08574	27.2
133.10162	16.8
135.08101	4.8
135.11725	25.8
137.09659	2.9
139.11198	7.8
143.08557	9.9
145.04912	2.5
145.10138	28.7
147.08054	4.8
147.11714	18.4
149.09634	9.8
149.13269	8.7
151.07620	5.7
151.11192	2.7
153.12767	2.7
155.08633	7.1
155.10614	3.2
157.10168	5.9
159.11720	10.9
161.09669	4.2
161.13274	10.3
163.11206	19.1
163.14888	4.4
165.12729	3.4
171.11755	7.8
173.09662	8.8
173.11829	5.3
173.13287	8.8
175.11305	3.0
175.14810	3.5
181.12250	6.9
185.11780	3.2
185.13344	4.0
187.14894	5.7
189.11229	3.9
191.10744	11.1
193.12335	4.3
197.04497	8.7
197.13235	3.9
209.11774	6.7
211.13362	4.7
211.63757	2.5
223.50650	2.7
227.12801	10.9
229.14421	10.7
237.07625	11.1
243.21240	3.1
245.13910	7.6
247.17056	2.7
261.22165	14.1
265.14404	13.5
267.16046	5.1
277.21710	3.5
279.23151	3.6
283.15414	20.4
289.21655	3.9
299.23868	2.9
301.16498	16.6
315.23306	3.7
317.24771	3.5
335.25714	22.1
351.25296	2.8
445.00772	3.0
451.31845	6.1
463.30438	2.9
469.33197	9.5
487.34427	7.1
489.35727	13.2
498.63361	2.7
505.35156	3.9
525.35663	9.5
543.36877	30.9
561.37909	38.3
579.24664	15.3
579.38544	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01876	3.9
55.05269	1.5
55.05515	19.1
57.03447	10.7
57.07074	3.9
63.55191	1.0
65.03928	1.6
67.05508	55.1
69.03407	2.3
69.07070	20.6
71.04979	4.5
71.08615	1.4
71.12695	2.2
73.02923	1.1
79.05500	30.9
81.03425	4.1
81.07062	54.7
83.04971	4.3
83.08622	17.9
85.06553	1.5
91.05483	17.8
93.07047	44.1
95.04970	7.1
95.08611	56.1
97.02891	3.0
97.06535	6.2
97.10187	5.7
99.04474	3.2
99.08102	1.4
105.07029	11.3
107.04974	6.9
107.08609	30.0
109.06559	2.7
109.10151	14.5
111.04470	1.0
111.08083	1.8
117.07021	10.6
119.08585	15.3
121.06526	5.4
121.10143	16.8
121.42926	1.0
123.08060	1.6
123.11709	3.9
125.05993	2.9
130.07712	1.1
131.08575	2.6
133.10149	9.5
135.08066	1.9
135.11708	50.2
137.13268	1.6
139.07555	2.2
145.10124	25.4
147.11664	3.4
149.13271	1.3
161.13298	2.8
163.11192	54.1
163.14833	1.5
173.13301	1.1
175.49384	1.0
181.12218	9.7
209.11626	2.8
227.12794	80.2
261.22263	1.6
263.23746	3.0
283.15405	81.8
285.16980	7.0
335.25858	10.4
337.27393	100.0
530.39136	5.4
545.38409	84.9
545.45404	1.5
548.40106	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05516	22.5
57.07067	4.4
65.03930	1.6
67.05502	15.6
68.38697	1.3
69.03437	7.1
69.07054	8.7
71.01881	2.4
71.02222	1.8
71.04983	6.6
77.03887	1.6
79.05494	13.8
81.07063	14.7
83.04985	10.3
83.08625	24.2
85.06551	2.9
87.04453	2.3
91.05486	20.8
93.07050	25.2
95.04967	7.3
95.08611	23.1
97.06537	31.2
103.05466	2.8
103.54146	1.4
105.07035	35.2
107.04991	1.6
107.08595	37.0
109.10162	12.8
111.08109	4.5
113.09648	13.7
115.05463	2.5
117.06999	7.0
119.04977	1.4
119.08589	32.0
121.06509	5.2
121.10153	20.3
123.07330	1.3
123.08073	8.9
123.11724	3.4
125.09636	11.1
128.06247	6.2
129.07005	19.9
130.07820	3.8
131.08575	18.3
133.10146	16.7
135.08015	3.3
135.11705	5.9
137.09644	2.3
139.11172	15.0
141.06979	6.7
142.07764	14.2
143.08560	26.8
144.09355	19.2
145.10132	29.5
147.08018	2.9
147.11708	5.4
149.09630	4.6
153.07002	3.3
153.09152	1.7
153.12756	4.0
154.07780	2.7
155.08615	12.5
155.10657	16.4
156.09346	12.5
157.10138	40.0
158.10870	4.5
159.08032	2.8
159.11700	14.5
161.09593	2.4
161.13300	2.2
163.11258	3.5
165.06998	8.2
166.07710	1.8
167.08560	10.4
168.09355	4.0
169.10132	16.5
169.12256	1.5
170.10924	4.5
171.08159	1.7
171.11696	20.8
172.12480	2.0
173.09633	3.0
173.13263	10.3
175.11241	2.9
175.14876	2.2
178.07799	2.7
179.08560	13.1
179.14291	6.8
180.09401	7.2
181.10168	18.2
181.12257	17.6
182.10950	5.3
183.11707	19.6
184.12479	4.1
185.09674	3.8
185.13281	14.4
187.11279	1.9
187.14941	2.0
189.12784	2.2
191.08539	1.9
192.09344	3.7
193.10159	14.1
194.10933	7.6
195.11739	25.6
195.13834	6.0
196.12540	5.9
197.13274	16.1
199.14891	6.5
201.12827	1.6
203.08530	1.7
205.10124	3.5
205.15826	2.8
206.10947	4.6
207.11725	14.4
208.12506	7.9
209.13274	26.3
209.15109	2.5
210.14069	3.8
211.14832	12.2
213.12743	3.4
213.16391	4.9
215.14262	2.2
217.10213	3.0
217.15886	3.1
218.10948	2.7
219.11711	6.3
220.12535	5.0
221.13298	17.7
221.15431	8.7
222.14157	4.1
223.14856	12.5
224.15640	1.6
225.12848	1.8
225.16444	5.6
227.14304	2.7
229.10112	2.0
229.15944	2.7
231.11777	4.4
232.12590	4.3
233.13281	8.9
233.15335	2.6
234.14098	2.0
235.14783	12.0
235.16817	1.8
236.15633	5.2
237.16417	6.4
243.11830	3.1
244.12509	3.1
245.13300	6.5
245.15572	2.8
246.14059	3.0
247.14784	6.7
247.17027	13.1
248.15604	2.2
249.16481	4.3
251.17960	20.3
253.19460	2.7
255.17482	4.0
256.12491	1.5
257.13297	3.5
257.19086	2.3
258.14105	2.9
259.14847	5.3
260.15662	1.9
261.16290	7.3
263.17953	5.6
265.15891	1.8
265.19519	3.4
267.17627	2.0
269.13232	2.4
269.19043	22.8
270.14087	2.0
271.14673	3.0
273.16370	5.1
273.18915	3.4
275.18008	4.3
277.19571	6.2
279.17493	3.9
281.19052	3.9
283.14938	2.7
283.20505	4.3
285.18570	4.8
287.17874	3.1
288.18549	2.0
289.19537	4.5
293.19037	3.1
295.20554	3.5
299.20251	13.6
305.19061	2.2
307.20468	3.8
309.22089	1.5
311.20251	8.1
312.20865	14.9
315.21329	3.2
317.22656	4.4
329.22678	2.8
333.22113	2.7
335.23630	6.4
355.24203	3.9
363.23071	3.5
369.25757	2.0
373.21454	1.6
373.25076	7.8
383.25803	1.9
395.27359	5.8
413.28503	11.5
479.32919	1.6
481.34433	2.9
505.34583	2.1
523.36011	1.5
563.39038	16.5
581.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02826	5.1
51.17253	4.5
53.36331	5.4
54.05529	7.2
55.01871	6.9
55.05516	15.7
57.03435	12.7
64.14325	5.4
65.03940	5.7
67.05516	85.1
69.03426	13.8
69.07066	28.1
70.06592	19.2
71.52907	9.8
77.82997	5.8
79.05500	42.1
81.03434	7.4
81.07074	80.8
83.04965	11.6
83.08614	17.8
84.04510	7.3
85.02907	13.7
86.09695	10.7
86.14747	6.0
91.05494	41.3
93.07070	49.0
94.46502	6.6
95.04980	6.0
95.08631	28.5
97.02911	10.3
97.06566	11.5
97.10188	12.0
105.07067	27.7
107.08610	43.9
109.06538	11.5
109.10194	53.8
111.08087	13.0
117.07039	16.2
119.08607	34.4
121.02940	6.7
121.10128	22.9
123.11747	10.3
125.09669	11.9
131.08580	16.3
133.10159	24.2
135.08037	6.5
135.11717	13.2
145.02849	18.3
145.10132	17.0
147.04401	6.9
147.11697	11.4
148.04776	6.8
149.09625	16.7
149.13286	16.6
155.10728	9.2
159.11729	23.8
163.03931	7.4
163.11189	7.0
165.12761	6.1
173.11742	22.3
173.13225	7.4
177.05527	45.3
177.12788	22.2
179.14291	8.9
183.11749	6.5
203.74631	5.7
220.83759	5.6
229.14397	95.5
257.19159	7.6
269.17511	100.0
275.20102	34.9
328.87399	6.3
339.10730	14.0
349.23831	96.9
367.24838	95.4
391.19626	6.5
413.21783	5.9
566.92639	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	582.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.41634	1.5
55.05521	16.6
57.03443	8.8
57.07076	5.4
60.36466	1.4
61.80700	1.6
65.03940	2.0
65.67929	1.6
67.05180	2.6
67.05513	42.9
69.03439	2.1
69.07075	22.1
69.20170	9.6
69.20598	5.2
71.04999	4.1
71.08640	3.8
79.05495	21.2
81.03425	32.8
81.06590	3.0
81.07063	52.8
82.07393	3.0
83.04981	9.6
83.08619	19.8
85.02918	11.8
85.06533	3.2
89.06033	1.9
91.05480	19.2
93.07059	20.6
94.07366	2.9
94.56061	1.5
95.04968	11.7
95.08617	33.9
96.08952	2.1
97.06552	3.4
97.10182	9.6
105.07048	14.5
106.99632	1.6
107.04942	3.1
107.08591	10.4
109.06520	2.7
109.10168	12.2
111.04450	2.1
111.08080	7.5
117.06998	1.9
119.08575	14.4
121.10130	8.3
123.08083	2.2
123.11720	6.4
125.09593	1.6
127.12837	1.5
129.07014	4.3
131.08546	5.6
133.08571	2.4
133.10139	11.6
135.11697	6.8
136.12047	2.1
137.13242	1.6
139.11186	1.6
143.08559	2.8
145.10167	4.0
147.11684	9.2
149.09631	3.6
149.13297	2.7
157.10150	6.0
161.13324	2.7
163.11172	3.8
164.11497	3.8
167.08508	1.5
175.11201	6.8
175.23077	1.8
181.12314	1.8
193.12250	19.0
211.13295	34.2
227.12770	5.3
228.13185	3.6
244.42596	1.4
249.14886	1.6
263.23737	3.0
267.15845	9.1
283.15366	4.2
283.26346	44.4
284.15771	4.8
285.16974	38.1
337.27393	86.2
338.27734	6.6
339.28073	5.8
418.79224	1.6
420.90009	1.7
529.38641	5.7
547.39886	100.0
551.08508	1.6
553.29523	1.8
582.40466	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	582.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.41634	1.5
55.05521	16.6
57.03443	8.8
57.07076	5.4
60.36466	1.4
61.80700	1.6
65.03940	2.0
65.67929	1.6
67.05180	2.6
67.05513	42.9
69.03439	2.1
69.07075	22.1
69.20170	9.6
69.20598	5.2
71.04999	4.1
71.08640	3.8
79.05495	21.2
81.03425	32.8
81.06590	3.0
81.07063	52.8
82.07393	3.0
83.04981	9.6
83.08619	19.8
85.02918	11.8
85.06533	3.2
89.06033	1.9
91.05480	19.2
93.07059	20.6
94.07366	2.9
94.56061	1.5
95.04968	11.7
95.08617	33.9
96.08952	2.1
97.06552	3.4
97.10182	9.6
105.07048	14.5
106.99632	1.6
107.04942	3.1
107.08591	10.4
109.06520	2.7
109.10168	12.2
111.04450	2.1
111.08080	7.5
117.06998	1.9
119.08575	14.4
121.10130	8.3
123.08083	2.2
123.11720	6.4
125.09593	1.6
127.12837	1.5
129.07014	4.3
131.08546	5.6
133.08571	2.4
133.10139	11.6
135.11697	6.8
136.12047	2.1
137.13242	1.6
139.11186	1.6
143.08559	2.8
145.10167	4.0
147.11684	9.2
149.09631	3.6
149.13297	2.7
157.10150	6.0
161.13324	2.7
163.11172	3.8
164.11497	3.8
167.08508	1.5
175.11201	6.8
175.23077	1.8
181.12314	1.8
193.12250	19.0
211.13295	34.2
227.12770	5.3
228.13185	3.6
244.42596	1.4
249.14886	1.6
263.23737	3.0
267.15845	9.1
283.15366	4.2
283.26346	44.4
284.15771	4.8
285.16974	38.1
337.27393	86.2
338.27734	6.6
339.28073	5.8
418.79224	1.6
420.90009	1.7
529.38641	5.7
547.39886	100.0
551.08508	1.6
553.29523	1.8
582.40466	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23428	2.0
53.03947	4.3
55.05515	12.7
57.07077	9.6
60.19360	2.3
65.03954	3.0
67.05515	18.6
67.47340	2.1
69.03429	7.9
69.07075	16.7
70.76227	5.3
70.76591	2.1
77.03925	3.5
79.05495	26.1
81.07068	30.4
83.05001	6.9
83.08633	8.3
85.06564	5.5
85.32971	1.9
91.05484	43.9
93.07045	52.1
95.04990	9.2
95.08619	34.4
97.06554	4.2
99.08094	3.1
103.05500	3.5
105.04539	2.3
105.07038	79.4
107.08613	38.1
109.06533	7.5
109.10169	17.7
111.08132	2.3
115.05486	4.9
117.07035	14.3
119.08595	78.3
121.06546	4.5
121.10149	45.6
123.08058	15.1
123.11685	6.1
125.09636	2.9
128.06241	12.9
129.07011	19.1
130.07806	6.0
131.08586	34.5
133.06494	2.2
133.10152	35.0
135.08099	9.0
135.11729	14.3
137.06001	2.9
137.09599	11.9
139.11227	2.8
141.07039	9.8
142.07797	23.4
143.08574	46.0
144.09380	6.5
145.06557	2.6
145.10129	53.0
146.38116	2.3
147.08044	15.6
147.11676	15.2
149.09662	7.0
151.07603	16.2
153.07045	7.8
154.07823	5.1
155.08548	19.0
156.09341	21.6
157.10143	50.6
158.10942	9.0
159.08112	3.3
159.11708	25.9
161.09671	6.4
161.13295	4.4
163.11212	8.2
165.07022	8.5
165.09108	31.5
167.08595	11.7
167.10718	10.9
168.09390	8.3
169.10112	27.0
170.10982	10.9
171.11693	30.2
173.09647	3.5
173.13280	27.0
174.32420	2.2
175.11198	5.2
175.14839	8.2
179.08530	16.6
180.09381	6.1
181.10120	15.6
181.12320	8.4
182.10890	11.2
183.11702	32.3
184.12502	4.3
185.09752	2.8
185.13309	18.5
187.14896	6.0
189.12836	6.1
191.14403	9.1
192.09349	6.3
193.10123	15.5
194.10947	14.5
195.11693	26.8
196.12503	8.2
197.13297	18.0
198.14108	3.2
199.11403	2.8
199.14848	13.8
203.08505	2.7
203.14334	11.3
205.10156	6.8
205.15874	2.8
206.10939	7.3
207.11758	21.9
207.13860	6.4
208.12537	6.3
209.13290	30.0
210.14128	3.0
211.14838	13.1
213.16348	3.8
215.14413	2.9
217.10165	3.9
217.15907	12.6
218.10994	3.0
219.11728	6.1
220.12547	8.0
221.13315	19.7
221.15459	62.4
222.14053	4.1
223.14815	16.5
225.12868	3.0
225.16412	5.6
227.14297	2.4
229.10298	3.5
230.10904	2.6
231.11777	7.5
231.17511	4.0
232.12558	5.6
233.13335	6.5
233.15488	7.5
234.14085	3.7
235.14879	14.5
236.15617	2.5
237.16464	7.6
239.18088	2.9
243.11803	3.1
243.17596	2.9
244.12553	2.4
245.13353	7.8
246.14139	5.4
247.14796	11.6
249.16492	9.2
251.18083	5.7
253.19560	2.5
255.17509	2.8
257.19165	8.0
258.14124	2.9
259.14807	3.8
260.15698	4.6
261.16513	9.0
263.18085	6.0
265.19611	8.8
265.53302	2.2
269.18982	3.4
273.16458	4.8
274.17166	3.7
275.17938	13.1
277.19595	3.7
283.15048	2.7
283.20581	14.0
287.20477	2.6
289.19745	3.9
293.18958	3.9
295.20529	3.6
297.22250	3.9
300.21066	3.4
301.19531	3.0
303.21246	3.4
307.20746	4.6
315.20877	2.5
319.20731	2.9
331.24438	6.5
349.25177	10.3
352.23883	2.7
361.25674	4.6
365.24600	4.1
373.25845	2.6
375.26895	8.3
403.29855	5.7
491.34814	5.0
547.39240	4.0
565.40668	21.0
567.53699	2.5
583.41528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
51.54836	0.8
52.24678	0.7
53.03946	2.8
55.01862	1.4
55.05512	13.0
57.07077	9.9
58.07972	0.8
59.05007	2.7
63.93216	0.7
65.03944	2.4
67.05508	15.8
68.87376	0.7
69.03426	7.2
69.07070	12.1
71.04996	0.9
73.93057	0.7
77.03928	1.8
79.05499	18.5
81.03379	1.0
81.07061	24.9
83.04990	5.7
83.08626	7.0
85.06538	5.6
91.04898	1.1
91.05482	31.7
93.07049	44.5
95.04991	6.7
95.08609	29.9
97.06525	4.5
98.21576	1.5
103.05460	4.0
105.04527	1.0
105.07036	54.8
107.04998	0.9
107.08601	33.0
109.06540	5.4
109.10152	13.8
111.08080	1.6
115.05459	4.3
116.06246	1.6
117.07014	13.1
119.08587	58.1
121.06532	3.7
121.10150	35.9
123.08069	13.9
123.11725	3.7
125.05999	1.6
125.09621	2.0
128.06215	10.8
129.07019	13.4
130.07787	5.8
131.08572	26.9
131.09521	1.4
132.09377	1.1
133.06535	2.0
133.10135	28.6
133.11092	1.6
135.08064	8.6
135.11696	8.4
137.09622	9.5
139.07571	1.0
139.11209	1.8
141.06992	6.7
142.07787	17.6
142.44061	0.7
143.08571	33.1
144.09354	5.5
145.10132	38.7
146.65816	0.9
147.08041	14.2
147.11685	9.7
149.09616	5.9
149.13281	2.2
151.07541	14.4
151.08643	1.1
151.11195	1.7
152.06206	1.0
153.07025	2.9
153.09108	1.1
154.07806	3.0
155.06059	1.3
155.08562	14.8
155.10651	1.0
156.09354	16.0
157.10138	44.6
158.10954	6.8
159.08095	3.1
159.11697	20.7
161.09595	4.9
161.13217	5.0
163.11188	7.2
165.07045	7.2
165.09119	29.0
166.07809	3.4
167.08591	8.8
167.10674	8.3
168.09338	6.0
169.10139	26.1
170.10922	8.7
171.11700	25.3
172.12437	1.1
173.09676	3.3
173.13260	20.2
174.10452	1.2
175.11267	3.6
175.14830	4.9
177.12740	1.2
178.07774	2.2
179.08574	10.5
180.09314	6.0
181.10178	13.0
181.12250	3.9
182.10899	8.7
183.11713	20.6
183.13235	1.4
184.12451	5.3
185.09689	1.5
185.13266	15.5
187.11226	2.4
187.14803	5.5
188.11998	1.0
189.12772	4.8
189.16580	1.2
191.08699	1.1
191.14279	7.7
192.09364	3.6
193.10156	11.9
194.10907	8.0
195.11717	18.4
196.12535	4.9
197.09669	1.2
197.13264	16.5
198.14108	1.7
199.11212	2.5
199.14821	11.5
201.12724	1.7
201.16447	2.4
203.08586	1.0
203.14325	13.3
204.09372	1.3
205.10146	3.5
205.15929	1.3
206.10950	5.6
207.11749	15.9
207.13831	5.6
208.12471	7.5
209.13293	23.8
209.15161	1.3
210.14058	3.3
211.11342	1.2
211.14874	8.7
212.15585	1.3
213.12787	1.9
213.16498	3.3
215.08591	1.0
215.14391	2.5
216.09344	1.5
217.10136	2.7
217.15903	8.1
218.10933	2.5
219.11671	7.2
220.12521	5.5
221.13298	14.3
221.15437	52.4
222.09000	0.8
222.14095	2.9
223.11188	0.9
223.14815	12.8
224.15605	2.1
225.12752	1.9
225.16431	4.7
227.14404	3.1
227.17897	1.3
229.10146	1.5
229.15950	1.0
230.10910	1.5
231.11693	6.5
231.17549	2.1
232.12527	4.6
233.13306	9.4
233.15428	3.9
234.14061	4.2
235.14819	10.1
236.15582	1.5
237.12794	0.9
237.16399	6.9
239.14555	1.1
239.17950	3.6
243.11716	2.1
243.17473	1.4
244.12509	3.1
245.13280	5.7
246.13951	3.9
247.14882	8.5
247.16702	1.1
248.15701	2.4
249.16394	7.4
250.17221	1.6
251.18124	3.8
253.15979	1.6
253.19530	1.5
255.17561	0.9
256.12592	1.0
257.13184	1.7
257.18973	6.1
258.14114	2.7
259.14761	4.9
260.15738	2.6
261.16376	8.1
262.17429	1.4
263.18027	4.6
265.16077	1.0
265.19559	6.8
267.17554	1.6
269.13458	1.0
269.19006	3.8
271.14883	3.0
271.20685	2.4
272.15567	1.9
273.16306	4.1
274.17191	1.9
275.17819	8.5
276.18842	1.1
277.15936	1.4
277.19543	3.4
279.17651	1.4
279.21265	2.5
281.19141	2.2
283.20541	14.3
285.16443	1.8
286.19516	1.3
287.17572	1.7
287.20206	3.6
289.19440	3.9
290.20267	1.3
291.17740	0.9
291.21118	2.2
293.19070	2.5
295.20447	4.6
297.16345	1.6
297.22125	3.4
299.17645	1.2
299.20541	1.4
300.20865	2.7
301.19623	2.6
303.21097	1.9
305.19272	1.0
305.22586	1.1
307.20554	1.3
309.22021	1.1
310.17288	1.0
311.17856	1.1
315.21146	1.9
316.21786	1.1
321.22055	1.1
325.21710	1.1
327.21317	1.0
329.22812	2.4
331.24130	5.6
333.22189	1.0
335.23666	1.4
343.24463	1.3
347.23608	2.2
349.25296	7.1
351.23068	0.9
352.24249	1.2
357.25851	2.3
361.25134	1.8
365.24704	1.7
373.25293	1.7
375.26871	5.9
385.28845	1.2
403.29968	6.9
473.34451	1.0
491.06943	0.9
491.35056	3.6
503.35196	4.3
509.34164	2.3
547.39227	3.2
565.40436	19.0
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
55.05513	5.8
57.07078	4.4
59.04994	1.5
65.03940	1.2
67.05506	9.1
69.03434	6.4
69.07061	6.4
70.76890	1.7
70.77198	1.1
71.05004	1.1
79.05500	9.0
81.03430	4.5
81.07056	11.4
83.04987	2.3
83.08602	4.6
85.02921	1.1
85.06538	2.1
89.92304	0.9
91.05483	10.9
93.07047	17.5
95.04964	4.1
95.08613	16.1
97.02880	2.1
97.06521	2.9
97.10193	2.0
103.05452	1.0
105.04529	1.1
105.07034	21.3
107.04914	1.0
107.08604	14.3
109.02876	2.7
109.06522	1.7
109.10158	6.5
111.08098	1.5
117.07045	2.3
119.08590	22.1
120.33082	0.9
121.06518	2.6
121.10144	15.9
123.08074	11.4
123.11707	1.6
127.03947	1.5
128.06215	1.7
129.07004	3.4
130.07774	1.3
131.08553	9.6
133.06496	1.3
133.10141	10.7
135.08086	4.5
135.11650	6.0
137.09596	6.2
139.03925	1.1
139.11198	1.7
141.07024	1.4
141.55205	0.9
142.07761	6.6
143.08566	8.9
144.09326	1.3
145.10139	14.2
147.08046	9.9
147.11763	5.0
149.09636	2.1
151.07549	13.2
155.08549	4.6
155.10713	1.0
156.09363	5.4
157.10130	16.8
159.08087	1.3
159.11678	9.0
161.09610	1.7
161.13284	3.5
163.11182	2.3
165.07019	1.2
165.09128	23.5
167.03404	2.0
167.08554	2.1
168.09378	1.5
169.10150	7.6
170.10945	3.1
171.11694	10.0
171.98019	0.9
173.09650	1.7
173.13239	4.9
175.11162	1.1
175.14871	2.8
179.08591	3.3
180.09351	1.6
181.10143	4.3
181.12286	2.9
182.10858	3.6
183.11729	7.1
185.04453	14.5
185.13245	9.0
187.11211	1.4
187.14850	2.7
189.12811	3.9
191.14307	2.0
192.09416	1.6
193.10179	3.5
194.10794	2.2
195.11662	6.2
196.12460	2.2
197.13281	7.8
199.14937	2.7
201.16553	1.7
203.14366	8.6
205.16043	1.0
206.10968	2.2
207.11702	4.7
207.13849	5.3
208.12379	1.3
209.13278	8.8
210.14046	1.5
211.14821	4.2
213.16353	2.0
217.15866	1.3
218.10835	0.9
219.11737	1.3
220.12486	2.1
221.13261	4.5
221.15346	39.7
222.14003	1.8
223.14862	5.0
224.15645	1.6
225.16550	1.9
227.14224	1.2
229.15854	1.3
231.17540	2.2
232.12344	1.1
233.13301	2.6
234.14035	1.2
235.14810	3.9
237.16411	2.1
237.22144	2.0
246.14197	1.0
247.14886	2.4
247.17073	2.0
249.16473	3.4
251.18044	2.0
253.19711	1.0
257.19046	2.6
259.14871	1.7
263.17920	1.9
265.19586	2.9
269.19043	1.6
271.20554	2.0
273.16449	2.0
274.17188	1.0
275.17899	1.7
277.19485	1.4
279.20969	1.3
281.18930	1.1
283.20651	2.4
285.22333	1.2
286.19229	1.2
287.20285	1.8
289.19415	1.1
293.19037	1.1
295.20645	2.6
297.22156	2.9
299.20169	1.3
325.01245	1.1
333.22021	1.1
345.24316	1.3
349.25452	2.1
365.24683	2.0
375.26941	5.2
381.26404	3.2
385.28946	2.2
403.29849	7.0
407.09732	0.9
409.96115	1.0
503.35382	3.6
509.34277	1.4
547.38934	1.8
564.52362	1.0
565.40326	24.7
583.41479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03947	2.1
55.05508	3.6
57.07070	4.3
59.05006	1.9
63.03377	0.8
65.03939	0.9
67.05505	7.9
69.03425	3.0
69.07063	3.9
79.05496	6.0
81.07067	9.7
83.08618	2.0
85.06544	1.9
91.05482	10.6
93.07048	17.6
95.04978	2.7
95.08615	15.9
98.20744	2.2
99.13358	0.8
103.05475	1.2
105.07044	19.5
107.08595	10.0
109.06531	2.7
109.10143	5.0
111.08084	1.3
117.07040	3.8
119.08592	20.0
121.06509	2.5
121.10149	13.0
121.94814	0.7
122.72002	0.8
123.08083	9.8
123.11716	1.7
125.05948	1.3
128.06233	2.3
128.78142	0.8
129.07005	2.9
130.07803	1.7
131.08589	9.1
133.06532	1.7
133.10144	9.6
135.08047	4.4
135.11688	3.1
137.09630	6.5
141.06984	1.9
142.07765	5.4
143.08574	9.5
144.09363	1.6
145.10136	11.5
145.11169	1.2
147.08051	10.9
147.11729	3.5
149.09621	2.7
151.07561	14.3
155.08553	5.4
156.09346	5.0
157.10139	15.7
158.10820	1.2
159.08116	1.2
159.11711	7.7
161.09642	3.0
161.13290	2.8
163.11171	2.1
165.07036	1.6
165.09126	20.2
167.08603	3.5
168.09383	1.8
169.10126	7.6
170.10942	2.7
170.18742	0.8
171.11710	10.1
173.09627	2.2
173.13245	6.0
175.14847	1.1
177.09187	1.0
177.12781	0.9
179.08594	3.4
181.10109	4.1
181.12250	1.6
182.10953	2.9
183.11749	7.1
184.12404	1.0
185.09679	1.1
185.13301	6.4
186.13921	0.9
187.11211	1.5
187.14862	1.8
189.12784	3.2
191.14343	0.8
192.09334	1.0
192.11551	0.8
193.10159	3.9
194.10941	3.3
195.11627	6.7
196.12508	1.1
197.13300	8.0
199.14856	2.9
203.14355	9.6
205.10178	1.0
206.10948	1.7
207.11758	3.6
207.13872	3.9
208.12405	1.5
209.13289	9.4
210.14079	1.6
211.11214	1.2
211.14862	3.8
212.15550	1.0
213.16354	1.2
215.14296	1.2
219.11624	2.0
220.12581	1.8
221.13277	5.5
221.15353	38.9
222.13989	1.7
223.14874	4.5
225.16492	1.5
231.11868	1.5
231.17563	1.9
232.12523	1.0
233.13293	2.1
234.14217	1.1
235.14909	3.8
236.15733	1.1
237.16490	3.1
239.18065	0.9
241.15710	1.1
247.14833	1.6
247.17075	1.4
247.45801	0.8
249.16422	2.5
251.18120	1.8
253.19530	1.1
257.19131	1.7
259.14859	1.9
260.15604	1.2
261.16367	2.0
263.18011	2.1
265.19604	2.9
269.19025	1.9
271.20602	1.6
273.16339	1.3
275.17847	1.8
277.19556	1.7
279.20947	1.3
281.19116	1.0
283.20767	2.1
287.20343	1.7
295.20486	2.1
297.22180	4.0
315.21188	1.3
349.25183	1.9
352.23984	1.4
357.25775	2.1
365.24854	1.9
375.26880	4.1
385.28876	1.2
403.29947	6.2
491.35123	1.1
503.34906	3.9
509.34296	2.0
547.39465	1.9
565.31696	1.3
565.40472	22.9
583.41455	100.0
584.42114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05511	16.6
57.07072	6.1
67.05507	26.5
69.03434	10.1
69.07065	13.0
69.17577	14.5
69.18006	12.9
71.05012	4.1
79.05505	19.5
81.03427	5.1
81.07062	34.9
83.04983	8.1
83.08614	17.1
85.02888	5.0
85.06564	7.5
88.91705	2.6
91.05486	35.7
93.07047	44.0
95.04981	9.8
95.08607	32.9
97.06540	12.9
99.04460	3.7
99.47327	2.7
105.07043	48.3
107.08612	36.5
109.06502	5.6
109.10162	19.5
113.09687	4.1
115.97116	2.7
116.06311	3.1
117.07052	8.1
119.08589	46.7
119.09373	4.4
121.06553	5.1
121.10165	44.3
123.08083	14.3
125.09656	5.4
128.06235	8.2
129.07027	10.6
130.07814	3.7
131.08585	21.2
133.10121	40.2
135.08076	6.8
135.11703	14.1
137.09653	6.8
139.11188	4.7
141.07037	8.3
142.07805	11.5
143.08589	22.8
144.09349	6.7
145.10136	37.8
147.08051	7.5
147.11713	12.9
149.09645	7.6
149.13200	3.8
151.07634	5.3
151.11128	3.0
155.08562	14.0
155.10675	7.8
156.09407	13.0
157.10121	39.0
158.10909	4.9
159.11745	21.3
161.09695	3.9
161.13335	4.9
163.11278	4.5
165.07037	5.8
165.09184	8.2
166.07829	3.9
167.08585	7.2
167.10733	12.4
168.09399	4.3
169.10138	19.8
170.10945	6.4
171.10387	5.6
171.11685	25.0
173.13268	18.7
175.11314	4.7
175.14833	11.7
177.05470	5.7
179.08626	9.5
180.09430	3.2
181.10162	8.6
181.12259	14.7
182.10881	9.0
183.11731	17.2
185.13304	13.1
187.14899	5.8
189.12839	3.5
191.14287	8.6
192.09451	4.1
193.10173	12.2
193.93320	2.7
194.10933	7.6
195.11755	17.7
195.13478	3.9
196.12514	6.0
197.13297	20.3
199.11301	3.5
199.14891	12.5
201.16405	4.8
203.14406	7.1
206.10893	4.6
207.11780	10.4
207.13808	4.5
208.12604	6.1
209.13289	19.9
209.15170	4.2
211.14859	8.2
213.12973	4.3
213.16428	5.8
217.15854	6.4
219.11646	5.5
220.12601	3.4
221.13300	12.1
221.15433	32.5
222.14038	4.9
222.35577	3.6
223.14812	15.3
225.14891	8.4
231.11742	4.0
233.13281	7.8
233.15479	13.3
235.14888	10.9
237.16438	7.7
245.13463	3.8
246.14110	4.0
247.14819	7.0
248.15739	4.0
249.16512	7.0
251.18021	6.6
257.13345	3.0
257.19083	3.8
258.14114	2.9
259.14835	4.1
261.16537	4.6
265.19421	5.4
269.19083	4.4
273.16306	4.0
275.17828	5.2
277.19577	4.8
279.21027	4.3
281.19098	2.8
283.20667	6.7
309.22137	3.0
317.22672	3.5
329.22574	3.1
331.24274	4.9
337.25348	3.1
345.25620	3.4
349.25391	8.1
361.25293	4.3
363.26938	6.2
375.27002	5.5
397.28781	4.7
415.30188	6.5
422.00198	3.6
506.65613	3.5
525.37341	2.8
547.39276	4.6
565.40387	35.5
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05521	8.5
57.07082	10.6
58.65364	1.0
59.04993	1.9
67.05507	15.7
69.03430	5.2
69.07075	10.2
71.08620	1.5
71.12357	1.4
71.12705	1.6
79.05493	15.3
81.03403	1.5
81.07063	21.7
83.04968	4.5
83.08614	6.0
85.06526	4.1
87.04466	1.0
88.07635	1.6
89.06040	5.2
91.05479	32.0
93.07050	34.7
95.04968	7.1
95.08614	23.1
97.06537	5.7
97.07066	1.3
97.10136	1.6
103.05495	3.3
105.07034	51.0
106.07836	3.1
107.08601	28.0
109.06535	6.8
109.10169	11.0
111.08069	1.5
115.05412	3.5
116.06236	1.8
117.07021	15.7
119.08588	67.3
120.09385	2.5
121.06511	4.9
121.10149	22.4
123.08077	9.5
123.11703	2.6
125.06003	1.9
128.06216	5.7
129.06995	12.5
130.07753	4.9
131.08580	33.5
132.09283	2.6
133.06488	1.6
133.08546	3.2
133.10138	31.4
134.10516	1.1
135.08078	10.7
135.11690	12.2
137.05969	1.5
137.09613	8.4
139.07541	1.4
139.11192	2.4
141.06987	4.3
142.07785	11.6
143.08571	25.0
144.09389	7.2
145.06500	1.4
145.10123	46.0
147.08058	14.1
147.11699	11.5
149.09596	5.1
149.13283	1.8
151.07553	4.7
151.11195	3.3
153.06952	1.4
154.07825	1.6
155.08566	12.5
155.10640	1.1
156.09358	13.0
157.10138	39.3
158.10930	5.8
159.08083	4.4
159.11711	28.7
159.94516	1.2
160.12325	1.1
161.09631	6.8
161.13216	6.0
163.11238	7.4
165.07018	2.7
165.09126	21.5
166.07724	1.3
167.08574	4.9
168.09352	4.8
169.10126	16.2
170.10933	8.2
171.08034	2.1
171.11694	22.3
172.12447	4.1
173.09616	4.8
173.13261	15.3
175.11209	10.3
175.14769	8.8
177.11275	2.0
177.12785	4.6
179.08542	5.5
179.10526	1.3
180.09286	2.3
181.10120	10.3
181.12218	6.7
182.10977	6.3
182.12331	1.4
183.11699	17.3
184.12485	5.2
185.09680	1.8
185.13269	14.0
186.13942	1.7
187.11160	2.7
187.14760	5.9
189.12802	6.0
190.13470	5.6
191.10713	1.7
191.14340	2.6
193.10400	6.6
193.12228	5.8
194.10834	4.3
195.11671	10.0
195.13577	2.3
196.12444	5.3
197.09612	1.5
197.13287	15.8
198.14014	3.0
199.11172	3.7
199.14873	6.4
201.12721	4.8
201.16399	3.9
203.14343	12.1
205.10118	2.7
205.15813	1.4
206.10982	1.6
207.11673	9.7
207.13799	4.2
208.12477	3.2
208.14594	4.6
209.09682	1.4
209.13287	12.4
209.15182	1.9
210.13904	3.2
211.11226	2.2
211.14920	5.7
212.15321	1.6
213.12827	2.0
213.16339	2.1
215.14404	2.5
216.70856	1.2
217.15915	3.1
219.11708	2.8
219.13805	3.2
220.12457	2.5
221.13290	6.0
221.15352	38.9
222.13898	2.8
223.11281	1.9
223.14810	12.3
224.15593	2.3
225.12740	2.7
225.16339	3.5
227.14394	1.6
233.13272	3.1
234.13972	2.2
234.16145	7.7
235.14806	6.8
236.15395	1.6
237.12732	3.3
237.16373	5.9
238.13615	1.2
239.17940	1.7
243.13863	1.6
246.14130	2.2
247.14850	1.7
247.16966	8.5
249.16335	2.5
251.17961	1.3
253.15941	2.1
253.19516	2.5
255.17369	1.9
259.17001	1.6
260.15387	1.6
261.16391	2.1
262.13663	1.1
263.17929	2.3
265.15817	2.0
265.19476	1.6
271.17010	1.9
275.17807	1.3
279.17233	1.5
281.19019	3.7
283.20508	1.3
285.18472	1.7
286.19250	3.5
287.20218	1.7
289.19382	1.4
291.20941	1.3
296.21332	1.4
297.18823	1.6
299.20206	9.1
300.20712	2.7
300.28934	2.5
307.20282	2.0
310.19305	2.1
311.20087	2.9
311.29361	2.7
312.24591	2.0
319.20407	1.8
321.18491	1.5
325.21722	11.1
337.21564	5.7
339.23196	1.2
352.23984	51.9
361.25272	1.3
365.24731	11.3
371.22751	2.7
376.27396	2.2
377.24670	1.8
378.25250	3.2
383.25653	2.0
385.27594	1.2
391.26160	2.3
397.27655	2.6
398.28162	5.0
404.30746	4.7
411.28735	1.8
412.29755	15.1
425.30252	2.7
438.31412	11.7
477.33923	1.3
489.34122	5.3
491.35199	10.9
492.35489	5.8
504.35986	100.0
505.36487	1.9
549.40924	2.6
566.41180	2.3
569.39606	1.7
584.42126	25.8
584.55469	6.9
609.77759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91926	1.1
53.03931	1.7
55.05512	5.4
57.07079	10.5
57.57809	1.1
59.05006	2.3
65.03929	2.8
67.05508	10.2
69.03435	3.6
69.07066	5.8
79.05495	15.0
81.07066	20.7
83.04977	3.8
83.08622	4.1
85.06534	4.3
89.03558	1.1
89.06028	4.7
90.68656	1.0
91.05489	22.5
92.73285	1.0
93.07056	28.0
94.07814	1.4
95.04977	6.1
95.08611	19.1
97.06515	3.0
103.05473	2.3
105.07037	43.1
106.07832	3.2
106.59889	1.0
107.08600	26.2
109.06516	4.7
109.10174	11.0
115.05476	3.8
117.07030	12.4
119.06083	1.3
119.08588	57.6
120.09399	3.3
121.06504	3.4
121.10159	17.3
123.08091	8.7
123.11688	2.2
125.05965	2.3
128.06235	5.9
129.07014	10.8
130.07784	3.3
131.08572	26.5
132.09398	2.3
133.06516	2.0
133.08618	2.2
133.10139	27.2
135.08084	7.9
135.11694	9.5
137.09633	7.6
141.07011	4.4
142.07779	9.7
143.08560	25.7
144.09378	8.6
145.06516	2.4
145.10127	36.4
147.08067	14.0
147.11664	10.7
149.09669	6.6
149.13232	1.4
151.07544	5.4
153.07031	1.3
155.08536	11.1
156.09352	11.4
157.10141	40.5
158.10912	7.7
159.08069	2.6
159.11702	24.4
160.12314	2.0
161.09613	6.2
161.13322	5.4
163.11185	8.6
165.07011	2.0
165.09125	21.1
166.07849	1.4
167.08582	4.9
168.09323	3.5
169.10139	15.7
169.72028	1.1
170.10918	6.7
171.11690	21.1
172.12454	7.3
173.09636	3.2
173.13264	16.2
175.11230	8.3
175.14812	8.1
176.11839	1.3
177.12750	2.7
179.08569	4.9
180.09389	2.5
181.10114	9.2
181.12285	5.6
182.10902	3.9
183.11705	16.7
184.12407	3.4
185.09666	2.8
185.13269	11.5
186.14005	1.4
187.11232	3.3
187.14847	5.6
189.12758	5.1
190.13553	4.4
191.10670	2.2
191.14322	2.8
192.09386	1.5
193.10149	5.8
193.12016	6.2
194.10925	4.9
195.11729	14.0
195.13554	2.2
196.12506	5.4
196.29289	1.1
197.09569	1.7
197.13283	13.8
198.13962	2.2
199.11191	3.1
199.14857	6.3
201.12776	5.1
201.16403	4.1
203.14278	11.9
205.10078	1.5
207.11685	7.3
207.13806	7.2
208.12532	3.1
208.14590	4.8
209.13295	10.7
209.15186	2.3
210.14059	3.1
211.11232	3.1
211.14842	7.6
212.15538	1.8
213.12759	3.5
213.16313	2.9
215.14301	1.7
216.15086	1.7
217.15874	2.5
219.11780	2.0
219.13815	3.8
220.12402	1.2
221.13251	5.5
221.15341	43.6
222.13977	1.9
222.15915	2.2
223.11194	1.6
223.14809	9.7
225.12737	2.8
225.16382	3.8
227.14180	2.0
229.15891	1.8
231.11760	1.4
232.12607	1.1
233.13237	3.5
233.15427	2.1
234.14012	2.1
234.16190	6.5
235.14781	4.9
237.12698	3.5
237.16389	3.4
239.14301	1.7
241.19591	1.4
245.13245	2.1
247.14813	1.5
247.16893	6.4
249.16402	3.3
251.17935	2.7
253.15761	1.5
253.19548	1.8
255.17593	1.8
259.17087	1.8
261.16260	2.3
263.14325	1.9
263.17899	2.2
265.15985	1.2
265.19586	3.0
271.17004	2.7
271.20532	2.6
273.16226	1.2
275.17902	2.0
277.16327	1.8
281.19058	3.6
283.20508	1.9
285.18683	1.8
287.20239	2.5
291.17416	1.4
296.21274	2.9
297.18649	2.5
297.22040	1.7
299.20074	9.1
300.20905	2.0
307.20453	1.0
311.20139	1.5
311.29376	1.7
312.20850	2.2
312.24435	2.4
316.22372	1.4
325.21735	8.6
337.21625	8.3
339.23285	1.8
347.23788	1.6
352.23984	61.8
363.26923	1.4
365.24753	11.5
371.22870	2.2
376.27768	1.9
383.25809	1.8
385.27390	1.2
391.26328	2.5
398.28177	3.5
404.30634	3.5
411.28873	2.5
412.29791	17.3
423.28922	1.3
425.30478	3.7
431.29315	1.9
438.31311	14.0
474.35458	1.6
489.34091	6.4
490.34372	2.2
491.35239	11.3
492.35703	8.3
504.35995	100.0
505.36581	2.6
565.48578	1.4
566.41144	2.5
569.39514	3.5
584.42145	26.7
584.56219	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	584.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01859	3.0
55.05273	1.8
55.05518	26.0
57.03442	13.5
57.07075	12.8
63.35433	1.7
65.03941	3.0
67.05511	74.6
68.05842	1.5
69.03421	6.6
69.06734	1.9
69.07079	30.7
69.82877	2.6
69.83266	4.1
70.06586	1.9
71.05002	7.3
71.08621	5.8
79.05064	2.5
79.05498	27.7
79.19495	1.4
81.03424	10.8
81.07063	100.0
83.04967	5.7
83.08626	24.1
83.78366	1.3
84.08975	2.1
85.06542	7.0
85.10181	3.6
87.04508	1.6
89.06045	12.0
91.05489	34.7
92.05812	2.3
93.07052	46.0
94.07368	3.5
95.04981	7.0
95.08614	49.6
96.08920	3.4
97.02892	3.6
97.06534	13.0
97.10159	7.5
99.08097	1.9
105.07043	27.9
106.07351	3.9
107.04973	1.9
107.08609	34.0
109.06488	2.9
109.10167	23.0
111.08086	6.6
111.11727	2.4
113.09647	3.9
117.07043	8.6
119.08590	30.0
120.08924	6.3
121.06515	2.1
121.10153	18.7
122.10476	2.2
123.08100	4.4
123.11700	14.6
125.09627	4.8
127.03869	2.2
128.06235	1.9
129.06950	3.8
130.07803	1.6
131.08588	15.5
132.08893	1.7
133.06531	1.6
133.08572	6.3
133.09167	1.5
133.10143	25.3
134.10474	3.5
135.08098	2.0
135.11694	15.7
136.08409	1.6
137.09641	3.7
137.13235	2.6
139.11176	5.5
141.06987	2.9
142.07758	2.6
143.08534	5.8
144.09355	1.9
145.10130	14.2
146.10452	2.6
147.08043	4.2
147.11642	7.9
148.12013	2.9
149.09619	3.6
149.13266	12.7
151.11189	4.4
151.14821	1.8
155.08533	2.2
155.10677	2.8
156.09233	2.8
157.10153	10.7
158.10550	2.6
159.08081	1.9
159.11696	17.3
160.12054	3.1
161.13240	4.3
163.11171	4.1
163.14841	2.0
165.09132	2.9
165.12828	1.7
167.03378	1.6
168.09248	2.1
169.10146	6.5
170.10698	2.3
171.11671	5.2
172.12041	2.8
173.09595	1.6
173.13287	6.9
175.11215	2.7
175.14853	7.9
176.15182	3.4
177.11250	3.7
177.12749	5.4
180.09221	1.4
181.10089	3.5
181.12239	5.1
182.10686	2.5
182.12360	1.5
183.11612	4.6
184.12027	3.3
185.04456	7.7
185.13187	2.7
186.13596	1.8
187.13293	5.8
187.14847	3.4
193.10234	2.1
193.12222	2.5
195.11711	4.4
195.13797	8.6
196.12143	2.7
197.13239	5.8
198.13602	3.4
199.14761	1.7
201.16325	3.0
203.14351	2.4
205.15976	1.9
207.11743	2.9
209.13097	2.9
210.13620	3.3
211.14893	4.3
213.14850	3.0
221.13377	3.0
221.15393	8.3
222.13618	1.7
222.15681	5.2
223.14847	2.4
224.15158	2.7
235.14850	2.0
238.16539	1.8
239.23822	2.1
243.15938	24.0
249.11003	2.2
256.26367	1.8
261.16449	2.0
267.15836	9.9
269.17438	19.2
283.26236	3.8
287.18509	42.5
292.21118	2.0
300.28970	3.6
311.29468	4.0
337.27396	54.3
339.28897	8.6
371.22760	5.8
383.27676	4.6
386.27991	3.1
431.28625	1.8
489.64853	1.8
491.35980	2.5
492.35742	9.3
505.38925	70.7
531.40656	13.4
549.41528	33.7
566.40088	3.5
584.41809	32.9
584.55951	12.7
585.37653	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	585.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01864	0.9
55.05499	0.8
57.03434	0.9
60.06330	0.5
62.63202	0.4
67.05503	3.4
69.03421	2.2
71.01331	0.9
79.05493	0.7
81.03421	4.3
81.07035	1.9
83.04996	0.7
85.02908	4.5
87.00830	1.5
91.05482	1.1
93.07042	1.6
95.08599	0.8
97.02891	1.8
99.04461	0.7
105.01842	0.8
105.07096	0.5
107.08595	0.6
109.02862	2.0
109.10145	1.6
117.01862	0.6
118.37476	0.6
127.03939	2.5
145.04953	1.1
159.02878	0.9
159.11557	0.5
166.68852	0.6
173.11646	0.7
195.13725	0.6
212.07533	0.7
221.13368	0.5
225.09135	1.4
229.14384	0.7
235.07658	0.6
249.09109	0.7
249.12804	0.7
251.07161	0.7
253.08466	1.0
257.75275	0.6
263.06958	0.9
267.13812	3.0
276.07861	1.1
277.08652	3.4
279.06531	1.9
279.09430	0.7
280.07285	5.2
281.08148	4.3
290.09393	0.8
293.08093	28.4
293.11353	1.3
294.08865	8.7
295.09628	3.5
297.12347	1.6
299.13965	1.1
301.14688	0.6
307.09540	0.6
309.11319	1.1
309.14682	0.6
314.61575	0.5
319.13260	3.7
335.12906	1.1
337.14346	100.0
338.14777	0.7
390.09164	0.6
423.27048	1.0
563.11151	0.6
567.18396	0.7
567.31464	1.5
585.26544	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	585.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.3
69.07072	0.4
71.52338	0.4
71.52702	0.5
79.05486	0.6
81.03418	0.4
81.07046	1.3
81.45323	0.3
91.05499	1.1
93.07047	0.6
94.06593	0.7
97.02943	0.4
105.07019	0.5
106.06573	0.5
108.08126	0.6
109.10162	0.5
119.08604	0.4
120.08135	0.8
123.95845	0.4
130.06546	0.5
132.08035	0.6
136.07648	0.6
143.08633	0.4
145.07605	0.5
148.07610	0.4
158.09741	0.5
159.09253	0.6
166.08694	0.7
170.09702	0.7
172.11285	0.5
180.10246	0.6
182.09706	0.8
183.09152	1.1
184.11295	0.6
185.10741	0.7
190.11093	0.4
194.09741	0.4
195.09175	0.8
196.09903	0.8
197.10785	2.0
198.11423	0.5
199.08673	0.6
199.12312	0.6
209.10738	6.5
210.11475	3.2
211.08720	1.6
211.12245	3.5
212.09364	0.7
212.13098	1.5
213.10309	1.1
223.08780	0.5
223.12329	1.8
224.09366	0.9
224.13089	0.4
225.10233	4.1
225.13882	0.5
226.11050	1.4
227.11781	3.2
227.15407	0.4
228.12479	0.5
229.13290	0.7
231.11391	0.4
237.10231	4.1
237.13902	0.8
238.11015	3.4
239.11797	4.2
240.12540	2.4
241.09779	0.6
241.13402	1.6
242.10545	1.5
243.11330	1.0
251.11852	1.7
253.09636	0.7
253.13356	2.5
254.14262	0.5
255.11372	1.1
255.14967	0.9
256.12057	2.3
257.12918	0.7
260.12927	0.5
267.11310	0.6
269.12939	4.1
271.10837	1.9
271.14465	7.0
271.17261	0.6
272.11438	0.5
273.12375	0.9
279.11365	0.9
281.12912	1.7
283.10867	0.8
283.14160	0.7
284.11554	2.1
285.12326	2.1
286.13126	1.8
287.13876	1.2
288.11581	0.4
288.14853	0.5
295.11075	0.9
297.12354	32.7
298.12717	0.6
299.13910	32.7
300.14505	0.9
301.12283	0.9
301.15610	1.7
302.13113	0.9
302.16458	0.4
314.12866	0.5
315.13773	1.0
316.14514	3.5
317.15298	1.4
328.14349	2.0
329.15436	1.2
330.15988	4.3
331.08319	0.4
331.16824	4.8
332.17670	1.4
335.13144	0.9
337.13611	0.5
342.16144	0.7
343.16916	0.7
344.17581	13.2
345.18427	0.9
346.19189	2.8
360.20776	3.5
370.15579	0.5
371.15860	0.4
372.17236	0.6
375.15906	0.6
376.16583	0.9
384.17114	0.5
386.18408	0.4
388.16818	0.9
389.17126	0.6
390.18304	2.8
402.18414	0.6
403.18887	1.5
404.19714	5.1
419.22162	1.0
422.17236	0.5
423.17972	1.0
437.19608	1.6
438.20062	0.5
448.19211	0.5
451.21048	0.8
452.22214	0.8
453.22507	0.8
462.20200	12.3
463.21048	7.0
464.21942	1.4
467.24255	0.8
497.21783	0.9
511.23428	0.4
525.24750	0.8
567.25940	1.3
568.24701	0.7
570.24420	1.1
585.27069	100.0
586.27545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28125	0.4
53.03954	4.2
55.01863	1.1
55.05517	6.0
57.03427	1.6
57.07079	30.6
57.44039	0.5
61.02913	1.7
65.03930	1.1
67.05512	13.4
69.03436	21.7
69.07073	6.1
69.37791	3.5
71.04990	2.9
71.08638	22.2
73.02900	1.1
79.05492	2.1
81.03423	38.5
81.06589	1.0
81.07061	16.9
83.01320	0.6
83.04981	0.9
83.08624	10.4
85.02913	14.5
85.06527	0.7
85.10188	11.3
87.04457	0.8
89.06045	2.4
91.05491	2.4
93.07052	3.1
95.04961	0.6
95.08614	22.6
97.02898	32.3
97.10182	5.1
99.04464	5.3
99.11736	0.6
105.07027	2.0
106.07372	0.7
107.08581	1.9
108.08924	0.5
109.02889	18.9
109.10171	10.0
111.04444	0.6
111.11708	1.6
117.07022	0.9
119.08585	2.5
121.02872	1.9
121.10159	0.9
122.10487	0.5
123.11703	4.5
125.13264	1.8
127.03925	29.5
131.08571	0.8
133.08592	0.9
133.10118	1.7
135.04306	0.5
135.11656	1.0
136.01628	0.5
137.13269	2.3
139.03931	3.5
139.14825	0.7
142.07834	0.6
143.03407	0.9
143.08524	1.5
145.04971	13.6
145.10132	1.9
147.11629	0.7
149.02333	5.1
149.13220	0.5
151.14806	1.2
157.10077	0.8
159.08125	0.5
159.11708	1.2
165.16428	0.7
167.03421	17.5
168.68303	0.5
169.10097	0.7
185.04468	100.0
195.14008	0.6
197.13303	0.8
203.95816	0.5
209.04434	2.6
209.13138	0.5
221.15457	0.6
221.22646	1.8
227.05536	2.5
233.15710	0.5
239.23705	26.3
251.05609	1.3
256.26431	0.5
257.24704	2.8
269.17340	0.6
275.05411	1.1
287.18176	0.6
293.06528	1.2
298.27451	0.8
311.29480	0.9
337.27313	1.0
338.27679	1.2
347.85785	0.5
383.27963	47.9
401.29037	4.2
506.39444	1.2
584.55981	1.8
585.42596	1.8
585.56970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50982	0.6
55.05501	1.1
56.05041	0.7
57.07078	5.9
58.06596	1.4
60.23371	0.6
62.47250	0.6
62.57411	0.6
64.82404	0.6
65.03951	0.8
67.05499	2.5
68.05848	1.1
69.03448	0.8
69.07082	0.9
69.23122	6.2
70.06605	14.9
71.08639	1.9
72.08144	0.7
79.05491	1.5
81.03410	1.0
81.07054	1.8
83.04993	0.9
85.02905	0.8
85.10171	0.9
86.09687	0.8
88.07642	18.4
90.06030	0.7
91.05469	0.8
93.07035	0.8
102.09190	13.1
105.83726	0.7
107.08553	0.7
109.10172	1.4
110.10522	0.8
117.07079	0.7
121.10220	0.8
123.40521	0.6
147.04437	0.9
149.02367	37.7
149.03358	1.4
175.03961	0.8
184.07361	1.7
193.04991	44.9
219.06387	0.9
220.46368	0.7
225.05545	1.1
228.23253	39.3
269.04535	0.7
297.04071	2.7
313.07077	3.2
341.06577	9.6
359.07642	6.1
375.32928	0.7
385.09225	44.6
424.28009	1.6
432.58087	0.9
561.81281	0.9
568.32013	1.5
586.30194	100.0
587.30328	1.1
610.52924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.4
56.70577	1.6
57.03436	9.1
57.07074	9.1
67.05516	9.4
69.07063	14.2
71.08617	5.8
79.05484	8.5
81.03422	45.2
81.07048	8.2
83.04990	4.0
83.08626	21.9
85.10172	2.8
91.05465	8.3
93.07047	5.3
95.04972	9.3
95.08595	3.7
97.10178	11.4
101.06013	2.3
105.07031	6.6
107.04945	3.5
107.08599	3.2
109.10140	2.6
111.08069	2.4
111.11736	2.5
119.08564	7.8
121.10119	5.6
129.06973	4.4
131.08585	3.9
133.06485	3.0
133.10129	2.7
137.05836	2.4
147.07959	1.9
147.11655	4.5
149.09605	2.6
152.44524	1.9
157.10121	6.0
164.07687	2.0
175.11147	5.1
193.12309	14.4
211.13225	1.9
267.15909	100.0
311.25845	50.9
337.24747	1.9
380.22363	2.0
477.90341	1.9
503.30484	2.9
503.37344	39.6
588.46674	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	588.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05313	1.7
55.05524	18.3
57.03432	9.4
57.07073	5.8
60.52011	1.8
67.05519	9.3
69.07085	16.0
69.82780	1.8
71.08627	5.4
77.89899	1.8
79.05510	9.0
80.63294	2.0
81.03426	51.6
81.07061	9.6
81.21352	1.7
83.04996	4.1
83.08620	23.7
91.05491	9.2
93.07031	9.7
95.04964	16.0
95.08614	7.4
97.06522	2.7
97.10189	13.9
98.21572	3.8
105.07027	8.6
107.04983	3.1
107.08584	4.9
109.10159	2.9
111.08054	3.1
111.11772	2.9
112.43254	2.1
114.78984	1.8
119.08616	7.1
119.75616	1.8
121.10143	5.4
129.07092	4.3
131.08604	5.2
133.10170	5.8
134.41127	2.2
147.11732	5.9
149.09686	3.8
157.10155	6.4
175.11160	4.1
193.10753	2.8
193.12227	14.8
229.53905	2.7
267.15930	100.0
311.25842	50.2
386.43146	2.2
399.70795	2.0
503.30585	3.0
503.37393	39.5
588.39160	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
55.26863	0.4
57.03441	0.6
58.87476	0.4
61.02908	0.7
67.05494	1.7
67.27597	0.4
69.03436	8.2
69.07054	0.5
69.34569	3.7
70.30895	0.4
71.04992	0.4
79.05491	1.9
81.03415	1.2
81.07067	2.3
81.38087	0.5
85.02901	1.2
86.09709	1.1
89.03919	5.1
91.05487	1.7
93.07040	1.4
94.77002	0.4
95.04962	1.0
95.08624	0.8
97.02917	1.4
98.21489	0.6
105.07027	1.1
107.04932	2.4
107.08617	0.7
109.02872	0.5
109.06489	0.7
117.03396	6.1
125.00015	0.9
127.03921	3.2
131.08588	0.5
133.10124	0.8
134.04063	0.4
135.04420	15.6
145.02855	11.6
145.03989	0.6
151.03908	0.5
153.31467	0.4
163.03914	100.0
169.04994	1.3
176.22763	0.5
179.03429	1.8
181.04962	2.5
184.07321	3.9
197.04456	7.6
198.83446	0.5
205.05011	1.1
223.06064	1.1
244.04289	0.5
265.10727	20.1
265.13568	1.0
303.15265	0.5
307.08170	4.1
325.09225	4.3
427.16135	1.3
469.23547	0.5
571.31555	0.9
589.33289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98530	3.2
55.05514	10.8
55.92826	2.5
57.03442	13.4
57.07078	34.0
64.72311	3.3
67.05502	32.6
69.07063	10.6
69.61018	9.0
69.61443	13.5
71.08644	32.8
75.88883	3.4
79.05497	10.1
81.03419	63.0
81.07064	30.4
82.11380	3.1
83.04986	3.6
83.08637	19.1
85.10194	15.3
91.05467	17.1
93.07041	12.5
95.04966	14.2
95.08607	25.5
97.10179	4.4
105.07039	9.7
107.04923	7.8
107.08650	5.3
109.06517	3.9
109.10165	10.5
111.08060	7.2
119.08568	15.8
121.10133	6.5
123.11743	5.0
129.07005	4.3
131.08559	7.4
133.10135	7.4
135.11649	4.7
145.10043	3.8
147.11678	5.5
148.81636	3.0
149.09613	4.5
157.08583	3.1
157.10081	9.3
165.12807	3.2
175.11241	9.6
179.14328	5.9
193.12253	17.1
225.70715	3.6
267.15961	89.0
277.21735	5.8
278.22061	6.7
313.27383	100.0
314.27768	3.5
326.34357	3.5
505.38852	68.1
590.48877	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15999	0.8
76.71881	0.3
79.16132	0.3
94.93019	40.8
136.94006	0.5
150.91910	1.7
206.88596	12.8
212.85181	0.8
247.91269	0.3
248.89664	100.0
262.12143	0.3
315.50165	0.3
382.36908	0.4
423.13937	0.3
477.99313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50936	0.3
53.03942	0.7
55.05496	0.3
57.03420	0.6
61.02929	1.9
67.01876	0.4
69.03434	4.4
70.06602	0.5
70.25607	0.7
70.26016	1.0
71.04985	0.5
73.02908	0.5
73.82733	0.3
81.03418	1.7
81.07053	0.5
83.01366	0.4
84.04517	2.3
85.02909	10.3
86.85386	0.3
87.04469	0.5
91.03961	0.8
91.05479	0.5
97.02882	3.7
99.04436	1.0
109.02876	1.2
119.04953	1.5
123.04426	0.5
126.68505	0.3
127.03911	2.6
130.04994	3.0
133.88936	0.3
137.05995	0.7
145.04979	2.1
147.04413	6.4
147.07651	4.4
151.03876	0.5
165.05478	2.6
169.04987	1.9
175.03909	3.0
181.04915	0.8
183.06549	1.1
193.04971	14.5
193.06754	0.7
197.04463	3.7
200.02023	0.4
211.06023	100.0
212.06342	0.5
213.20514	0.4
223.06113	0.4
265.10736	8.6
283.11679	1.4
309.47821	0.3
353.69604	0.4
373.11319	23.6
406.19519	0.3
427.16046	2.1
434.65198	0.4
445.16931	0.7
456.42746	0.4
591.35590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71933	0.2
53.03929	0.4
55.01885	0.5
55.05499	0.4
57.03429	0.9
57.03717	0.2
60.42435	0.2
61.02932	1.9
69.03087	0.4
69.03433	4.8
70.06590	0.6
70.38647	0.9
71.04980	0.4
73.02929	0.5
77.73683	0.2
79.05488	0.5
81.03421	2.2
81.07043	0.5
83.04967	0.2
84.04507	2.5
85.02908	10.9
85.48400	0.2
86.70941	0.2
87.04467	0.6
91.03952	1.0
91.05463	0.7
92.04037	0.2
94.27788	0.2
97.02896	3.7
99.04453	1.0
101.07134	0.5
109.02874	1.4
119.04949	1.5
123.04395	0.3
127.03278	0.2
127.03946	2.3
130.05008	3.8
132.08167	0.3
137.05945	0.7
145.04964	2.1
147.03238	0.4
147.04413	6.2
147.07637	5.0
151.03932	0.7
155.03333	0.5
163.03886	0.2
165.05507	2.1
169.04997	2.1
175.03897	3.4
179.03398	0.6
181.04942	0.9
183.06549	1.2
190.32242	0.2
193.04970	15.6
193.12134	0.3
197.04495	2.8
205.04865	0.3
205.08667	0.2
211.06018	100.0
212.06461	0.3
223.06068	0.7
265.10721	8.7
267.15936	0.3
283.11624	1.6
373.11328	23.5
411.20422	0.3
417.49844	0.3
427.15997	2.1
445.17184	0.7
591.22290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34687	1.1
52.59991	1.0
53.03935	2.1
55.05518	13.0
55.69228	1.1
55.90015	1.2
57.03448	10.8
57.07079	39.1
65.03963	1.7
67.05510	58.8
68.64737	1.2
69.07073	17.8
69.80843	6.4
71.04977	1.8
71.08636	26.1
73.08023	1.2
73.73240	1.1
79.05067	2.3
79.05497	29.5
81.07062	61.6
83.08625	12.2
85.06550	1.6
85.10184	15.1
91.05479	15.3
93.07048	39.6
95.04974	1.4
95.08615	57.3
97.06557	2.2
97.10182	6.9
99.08094	1.7
101.79892	1.3
105.07039	11.9
107.08610	24.2
109.10155	26.8
115.26481	1.1
115.44309	1.2
117.07010	6.1
119.08588	10.8
121.10162	19.7
123.11707	14.0
123.86024	1.2
125.09647	1.6
131.08606	14.0
133.10150	9.7
135.11694	16.8
137.13246	4.2
145.10109	9.8
147.11685	7.8
149.13283	9.7
151.14877	1.2
159.11699	8.2
161.13283	6.2
163.14818	6.0
173.11964	1.2
173.13298	7.4
175.14853	2.2
177.16403	2.5
180.18881	1.3
187.14845	5.8
219.17828	1.2
233.22647	2.3
239.23724	4.5
243.21083	15.0
257.24808	1.2
261.22168	58.6
279.23184	3.0
313.27377	100.0
314.27914	1.8
317.24780	10.3
321.44748	1.2
335.25818	64.9
347.42914	1.2
499.45053	1.3
573.40704	2.4
573.48846	26.2
591.40967	1.4
591.49780	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	592.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11979	0.2
53.03945	0.5
53.85852	0.2
55.01870	0.4
57.03430	0.9
61.02922	1.6
61.64360	0.2
63.66714	0.2
67.01863	0.4
69.03427	4.9
69.31938	0.2
69.32246	1.8
71.04990	0.5
73.02918	0.5
81.03403	1.6
81.07064	0.4
84.04513	0.5
85.02908	12.3
87.04498	0.7
90.54771	0.2
91.03946	0.9
91.05467	1.0
97.02891	4.4
99.04443	0.8
109.02878	1.2
109.06515	0.2
119.04932	1.5
123.04472	0.5
127.03919	1.7
130.04991	0.4
137.05946	0.8
139.91144	0.2
145.04959	2.0
147.03238	0.4
147.04413	6.7
147.07657	0.7
151.03905	0.9
155.03438	0.3
163.03885	0.3
165.05469	2.2
169.04980	2.1
175.03905	3.4
179.03412	0.4
181.04910	0.6
183.06538	1.1
187.03984	0.2
193.04970	15.8
194.05296	1.0
197.04457	3.5
211.06015	100.0
212.06360	6.0
223.05994	0.8
247.09601	0.3
265.10703	9.5
266.11014	0.9
283.11655	1.6
284.12122	0.3
295.81189	0.2
373.11301	22.8
374.11649	2.3
392.77753	0.3
427.16049	2.5
445.17178	0.5
590.23438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01862	0.6
57.03442	0.9
61.02933	2.1
67.01870	0.4
67.92860	0.2
69.03088	0.4
69.03435	4.8
69.90451	0.2
70.17593	0.2
71.04991	0.4
71.52984	0.4
73.02909	0.6
81.03426	1.7
81.07048	0.4
85.02909	11.4
87.04468	0.5
91.03959	0.7
91.05461	0.9
97.02892	4.5
99.04450	1.0
101.94563	0.2
109.02908	1.1
109.06480	0.3
119.04948	1.6
123.04396	0.3
127.03923	2.5
135.04373	0.3
137.05962	1.0
145.04968	2.5
147.04422	6.3
151.03912	0.7
155.03424	0.3
163.03920	1.7
165.01343	0.2
165.05490	2.2
169.01393	0.3
169.04961	2.4
175.03943	2.9
179.03421	0.7
181.04965	1.0
183.06551	1.3
193.04971	18.3
194.05257	0.2
197.04477	3.2
205.05049	0.3
211.06018	100.0
212.06329	0.6
223.05962	0.5
265.10724	9.5
265.13544	0.5
283.11835	1.7
285.07724	0.2
292.45544	0.2
307.08209	0.2
373.11310	24.3
374.11560	0.4
391.37665	0.2
427.16064	2.5
445.16968	0.8
573.75299	0.2
592.27557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47535	0.3
55.01844	0.4
55.05514	3.0
57.03421	1.5
57.06834	0.4
57.07080	5.5
61.02906	1.7
69.03429	5.1
71.04976	1.4
73.02899	1.2
78.05384	0.3
79.05476	0.7
81.03416	2.1
81.03810	0.4
81.07053	1.5
85.02906	9.1
87.04438	0.4
87.08106	27.2
91.05479	1.0
93.07038	0.7
95.08615	0.5
97.02900	3.9
97.06553	2.0
98.20739	0.9
99.04452	1.4
102.68375	0.3
109.02863	1.6
109.06493	0.9
111.08081	0.7
113.02425	0.4
115.07645	0.4
118.43462	0.4
119.04906	1.1
123.04417	0.9
123.08102	0.4
127.03892	3.1
137.05949	0.5
145.04939	2.2
147.04408	4.9
151.03807	0.8
155.03360	0.6
155.35577	0.4
159.04094	0.4
163.03879	0.8
165.05478	2.3
169.04941	1.6
175.03937	2.4
179.03378	0.9
181.05013	0.9
183.06540	1.1
193.04967	13.6
197.04468	7.1
209.04408	0.5
211.06007	100.0
217.10715	1.4
223.06108	0.6
229.53807	0.5
265.10706	16.6
267.12308	3.8
297.13358	4.8
359.09818	0.4
373.11282	15.7
427.16016	13.8
459.18405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
54.61790	0.3
55.05513	2.9
57.03419	1.2
57.06836	0.4
57.07078	5.2
61.02921	1.3
67.01846	0.3
67.05505	0.6
69.03431	6.0
70.06577	0.4
71.01343	0.5
71.04969	0.5
71.53001	0.5
72.00387	0.3
72.08157	0.5
73.02932	0.6
79.05497	0.7
81.03426	2.1
81.07041	1.1
83.04981	0.8
84.04475	0.3
85.02906	9.5
86.09694	0.5
87.04458	1.5
87.08111	26.3
89.06037	3.8
91.05476	1.1
97.02896	3.6
97.06536	2.0
97.25701	0.3
99.04453	1.3
105.18347	0.4
109.02879	1.4
109.06532	0.9
111.08088	1.0
119.04947	1.3
123.04441	0.6
123.08026	0.5
127.03921	3.3
133.08614	1.3
137.05904	0.5
139.07529	0.6
145.04965	2.6
147.04410	5.6
151.03894	0.8
163.03879	0.7
165.05481	1.6
166.97581	0.4
169.04980	1.8
175.03914	2.0
177.11198	0.4
179.03363	1.1
181.04970	1.1
183.06493	0.9
193.04970	12.8
197.04465	9.1
199.09702	0.3
201.08961	0.4
211.06018	100.0
212.06389	1.1
217.10736	1.1
223.06010	0.8
265.10712	16.4
267.12225	2.8
297.13315	4.2
373.11316	16.3
427.16049	11.7
445.68588	0.4
459.18506	0.5
612.06476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01855	0.5
55.38956	0.2
56.05023	0.2
57.03424	0.8
58.51362	0.3
61.02930	1.5
64.20152	0.2
67.01859	0.5
69.03433	5.3
70.06605	0.5
71.04989	0.6
71.52875	0.4
72.79179	0.2
73.02914	0.6
73.15055	0.2
81.03431	1.9
81.07043	0.5
84.08138	0.3
85.02911	11.1
85.45246	0.3
86.09717	0.4
87.04455	0.5
91.03949	0.7
91.05476	0.8
97.02301	0.3
97.02899	3.9
99.04431	0.8
109.02881	1.2
119.04958	1.6
123.04388	0.4
127.03918	2.5
135.07964	0.2
137.05988	0.7
145.04938	2.1
147.04427	6.6
151.03909	1.0
155.03398	0.6
163.03880	0.3
165.05489	2.5
169.04982	2.2
175.03909	2.9
178.81126	0.2
179.03438	0.4
181.04994	0.5
181.58955	0.3
183.06566	1.1
193.04976	16.5
197.02739	0.5
197.04462	3.3
211.06023	100.0
212.06352	0.5
223.06026	0.7
265.10709	8.8
283.11719	1.5
285.07266	0.5
287.05542	0.7
373.11316	25.4
427.16022	2.5
428.16354	0.3
445.16937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01878	0.8
56.43808	0.3
57.03440	1.3
61.02927	1.7
67.01870	0.4
67.05513	0.7
67.53359	0.3
69.03439	4.6
69.07053	0.4
69.23321	3.0
71.04994	0.8
73.02915	1.1
79.05505	1.5
81.03422	2.3
81.07069	5.1
83.01366	0.5
83.04976	0.3
83.21243	0.4
85.02914	13.8
86.74582	0.3
87.04467	0.5
91.03948	0.8
91.05483	0.6
95.04967	0.8
97.02908	4.3
99.04461	0.9
107.04955	0.4
109.02912	1.6
123.04457	1.4
127.03941	2.6
135.04428	0.5
135.08008	0.5
139.03952	0.7
145.04970	2.1
145.10152	0.4
147.04428	0.8
151.03937	2.6
155.03426	0.8
159.04411	0.5
163.03929	2.7
163.07562	0.5
167.03433	0.8
169.01318	0.5
169.04956	5.2
177.05479	1.3
179.03407	9.5
181.04991	9.0
183.02914	0.7
183.08177	0.5
185.04564	0.4
187.03934	1.1
187.07518	1.1
193.04860	0.4
195.06561	0.9
197.04475	42.5
199.69252	0.3
201.09151	0.4
205.04984	3.4
205.08643	1.5
209.04469	1.8
209.08076	1.0
211.05965	0.8
219.10179	0.6
223.06047	5.7
223.09535	1.9
229.08629	0.8
234.77864	0.3
247.09740	2.8
265.10736	100.0
266.10886	0.5
427.16046	3.5
543.55634	0.3
592.31122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	0.9
55.05516	0.7
57.03421	1.4
61.02934	1.8
61.76316	0.4
67.01872	0.4
67.05504	0.9
69.03091	0.5
69.03436	5.4
69.07065	0.5
69.86020	1.6
70.06586	0.5
70.31918	0.5
71.04992	0.6
73.02916	0.8
79.05485	1.7
81.03421	2.6
81.07066	5.3
83.01339	0.8
83.08586	0.4
85.02914	12.0
87.04454	0.8
90.24325	0.5
91.03955	0.6
93.07050	0.8
95.04983	0.8
97.02917	4.3
99.04454	0.9
107.04993	0.5
107.08618	0.4
109.02877	1.5
111.62640	0.4
113.02388	0.4
113.12624	0.4
116.51741	0.3
123.04409	1.6
127.03949	2.2
131.04881	0.5
133.02834	0.5
133.10294	0.4
135.04391	0.5
135.08070	0.8
139.03906	0.7
140.69189	0.3
145.04951	1.3
145.10118	0.5
147.04387	0.7
149.05888	0.5
151.03925	3.3
153.05423	0.4
155.03366	1.0
159.04456	0.7
159.07983	0.5
163.03932	2.8
164.04234	0.4
165.01807	0.4
167.03412	0.5
169.04980	5.9
177.05461	2.0
179.03404	9.3
181.04961	9.9
183.02878	0.8
185.04495	0.8
187.03877	1.1
187.07501	0.9
195.06522	0.7
197.04472	44.7
205.04976	3.1
205.08658	1.2
209.04434	1.7
209.08102	1.0
211.05983	0.6
212.12692	0.5
219.10229	0.4
223.06023	5.7
223.09511	1.8
229.08560	1.1
247.09665	2.8
265.10727	100.0
266.11160	0.6
268.87659	0.4
275.13910	1.7
276.14279	1.2
329.37851	0.4
427.16019	4.0
485.21530	0.4
619.85614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01871	1.3
55.05513	3.6
56.05030	1.8
56.86064	0.6
57.03445	1.5
57.07081	4.2
59.99279	0.6
60.04529	1.4
65.34803	0.7
67.05181	1.2
67.05509	14.8
69.03432	4.4
69.07072	4.5
71.04983	2.8
71.08629	0.8
71.52453	0.9
79.05500	13.1
80.05009	2.0
81.03413	2.7
81.05802	2.0
81.07063	14.1
82.06583	4.2
83.04958	1.6
83.08625	3.9
85.02899	1.4
85.06562	1.5
87.04440	2.0
91.05501	5.7
93.05766	0.7
93.07050	23.8
93.07640	1.2
94.06570	16.7
95.04963	2.9
95.08611	18.4
96.08131	2.3
97.02899	0.7
97.06539	5.9
97.10172	1.7
103.05486	1.0
105.07030	9.3
107.07349	3.3
107.08627	1.6
108.08135	1.1
109.10152	1.5
110.09689	9.4
111.07363	1.1
111.08092	12.0
119.08592	0.8
121.10130	1.6
122.09677	33.3
122.30753	0.6
123.08073	26.3
127.11199	1.9
128.10727	33.0
133.10077	0.9
135.11655	0.9
140.10712	100.0
141.09105	10.1
149.13271	1.6
152.07051	0.7
158.11736	7.6
159.11691	0.7
165.60316	0.7
196.14948	0.6
201.14877	6.1
228.53612	0.5
240.46091	0.6
247.87918	0.6
254.24747	1.2
269.17523	3.1
272.25818	9.0
314.12381	1.0
364.32224	2.0
376.32047	1.3
382.33209	10.7
394.33200	20.7
395.27908	7.4
412.34238	76.6
516.31256	0.7
614.58221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.51304	0.3
70.77650	0.7
111.92303	0.3
120.40683	0.3
130.07449	0.4
131.66835	0.3
161.82184	0.4
223.12437	0.3
258.18124	0.4
326.16614	0.4
358.47250	0.3
387.16043	0.4
389.17773	0.7
390.18359	0.5
402.18869	0.5
403.19202	1.6
404.19919	0.4
405.20709	1.3
416.20218	0.6
417.16034	0.6
417.21375	2.4
418.21576	1.1
419.22348	3.0
430.17639	0.7
431.18320	6.3
432.19556	1.4
433.24207	5.4
434.24722	1.0
445.19901	6.9
446.20691	3.1
447.21887	4.7
449.23746	0.5
459.21594	2.7
460.22632	7.7
461.23352	7.2
473.23901	1.9
474.24030	0.6
476.26111	0.6
477.22763	0.7
487.25018	0.9
489.27142	0.5
491.23984	0.4
492.25259	1.1
505.22009	4.5
518.22980	0.4
519.24127	0.5
533.25488	21.8
534.26031	0.6
564.23602	0.7
565.28296	0.5
575.27087	0.3
578.25195	0.4
593.27570	100.0
594.27649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36451	2.1
99.74508	0.3
182.39088	0.3
195.09053	0.3
375.16812	0.3
387.16016	0.5
388.16858	0.7
389.17502	1.0
391.19019	0.3
401.17715	0.7
402.18442	0.9
403.19104	3.4
404.19995	1.2
405.20816	1.9
406.21454	0.3
416.15659	0.5
416.20316	0.8
417.16788	0.9
417.21274	4.7
418.21887	2.2
419.22321	3.5
420.22684	0.4
430.17154	1.2
431.18213	9.5
432.18646	2.2
432.24170	0.6
433.24142	7.5
434.24643	1.5
444.18866	0.5
445.19940	10.9
446.20761	5.1
447.21811	5.0
449.23352	0.4
458.21021	0.4
459.21576	3.7
460.22617	12.9
461.23334	11.0
462.19821	0.4
462.24799	0.3
463.21799	0.3
473.23654	2.3
474.24103	0.9
476.25861	1.5
477.22256	0.5
477.27032	0.7
478.24136	0.3
487.25565	1.5
487.31146	0.3
489.26575	0.3
491.24475	1.1
492.25174	1.2
493.25504	0.4
505.21866	4.6
515.24780	0.3
518.22961	0.9
519.24152	0.8
521.21893	0.3
533.25525	44.5
534.25952	1.0
538.39258	0.3
547.26617	0.4
561.25562	0.4
564.23663	0.6
565.27710	0.8
575.26520	0.6
593.27612	100.0
594.27911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54202	1.5
53.03942	8.0
55.01872	4.0
55.05509	11.3
57.03442	3.2
57.07049	2.3
65.03967	2.4
67.05504	30.9
69.03428	15.5
69.07063	6.5
69.69786	9.8
71.04997	3.3
74.88391	1.7
75.01141	1.6
79.05501	24.6
81.03417	25.3
81.07054	31.6
81.26535	1.6
83.04966	2.6
83.08620	3.2
85.02912	6.8
85.06534	2.3
91.05479	20.3
93.07047	25.1
95.04960	6.4
95.08605	22.4
97.02895	16.0
97.06548	1.8
97.10152	2.1
98.21544	1.7
99.04459	3.1
105.07048	16.4
107.04967	3.3
107.08619	15.7
109.02872	11.4
109.06532	6.5
109.10153	10.5
111.04484	4.4
117.07023	6.3
119.08583	11.0
121.02877	2.2
121.06482	2.1
121.10149	13.4
123.08087	3.2
123.11694	3.8
127.03918	6.6
129.06978	2.9
131.08539	11.3
133.10136	11.3
135.08109	2.9
135.11710	9.6
137.09621	2.7
139.03905	4.5
143.08571	2.8
145.10103	10.3
147.08029	2.4
147.11694	7.1
149.02336	5.7
149.13266	4.6
157.10135	4.7
159.11670	10.0
161.13301	2.8
163.11136	3.2
163.14848	2.0
167.03407	17.4
171.11690	3.8
173.13246	4.1
183.11656	1.8
185.04460	100.0
185.13199	2.4
187.11151	1.9
187.14746	2.4
189.12823	3.0
195.11649	2.1
199.14812	1.9
210.93239	1.6
229.19505	3.4
247.20590	7.8
263.20096	2.3
275.20038	2.8
285.07425	3.4
289.21542	2.0
301.21780	2.7
327.23465	2.4
355.22736	3.5
391.24689	2.8
593.27527	4.5
593.38507	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10262	0.5
55.05508	1.1
57.07069	0.4
66.87510	0.4
67.05510	1.7
69.07110	0.3
74.93587	0.4
75.38156	0.4
79.05487	0.9
81.07062	1.6
83.04983	0.4
84.99454	0.4
88.07639	0.5
91.05480	1.1
93.07055	1.4
95.08621	0.8
98.98480	3.4
105.07027	1.3
107.08626	0.7
109.10175	0.8
117.07014	0.7
118.06563	1.5
119.07345	0.7
119.08601	1.0
125.00019	12.2
128.06248	0.4
129.07005	0.6
131.07214	0.4
131.08597	0.5
133.10168	0.7
134.09665	14.1
134.10666	0.8
144.08081	7.1
145.08899	3.8
145.10048	0.6
157.10100	0.4
159.11723	0.4
160.11229	84.2
178.12303	6.3
256.26266	0.7
258.08929	100.0
259.09402	0.4
261.22098	0.4
269.17194	0.4
297.53445	0.4
300.28983	1.1
339.29022	0.4
349.24161	0.4
373.98938	0.4
576.34338	1.4
576.45880	1.1
594.35187	3.1
594.46851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31080	0.2
50.35992	0.2
61.02927	0.2
65.03940	1.4
67.04797	0.2
67.05496	0.2
68.31627	0.1
68.74635	0.2
68.99799	0.2
69.03441	0.4
70.41467	0.6
71.04990	0.2
79.05520	0.2
81.03423	0.4
85.02906	0.5
91.05489	12.7
93.07079	0.2
95.04940	0.2
95.08614	0.2
97.02901	0.4
105.03376	0.3
107.04943	0.5
109.02855	0.3
111.00824	0.7
119.04951	26.8
121.02895	2.1
125.03515	0.2
127.03921	0.3
128.04013	0.2
133.02863	0.3
135.04460	0.2
137.02347	0.8
145.06459	0.3
147.04420	100.0
148.04779	0.3
153.01822	2.8
157.06538	0.4
161.05948	0.2
165.01863	1.4
165.05498	0.3
181.04903	0.2
183.02892	0.6
185.05977	0.3
187.07513	0.2
199.03796	0.2
201.05592	0.2
202.41515	0.2
213.05429	1.4
229.08658	0.2
231.06587	0.9
241.05006	0.9
248.72105	0.2
255.24150	0.2
258.05255	0.7
259.05988	0.5
287.05515	78.2
288.05771	0.8
291.08609	0.6
309.09689	1.3
329.06577	0.5
395.07782	0.2
594.46014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
57.03447	0.2
65.03933	1.0
68.99814	0.2
69.03449	0.1
70.71670	0.3
71.05620	0.1
81.03433	0.4
85.02924	0.4
91.05487	9.1
97.02888	0.3
98.20883	0.2
99.04474	0.2
101.30571	0.1
105.03429	0.2
107.04957	0.2
111.00829	0.4
119.04951	22.0
121.02865	1.3
132.29503	0.1
133.02902	0.2
137.02356	0.2
147.04420	100.0
148.04771	0.6
153.01845	2.0
157.06602	0.2
165.01869	0.8
165.05508	0.2
183.02921	0.2
185.05988	0.2
203.07030	0.2
205.00456	0.1
213.05467	0.8
231.06581	0.5
241.04924	0.3
243.06291	0.2
249.07648	0.2
258.05362	0.6
259.06097	0.2
287.05515	53.9
288.05994	0.2
291.08704	0.4
304.12308	0.2
309.09711	6.0
329.06570	0.4
395.07419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
55.01878	0.8
60.04480	0.5
62.15698	0.5
65.03950	1.9
67.05509	1.0
68.99797	6.2
69.67905	1.6
69.68316	1.1
71.04987	1.2
77.03943	0.9
81.03436	2.5
84.04530	0.7
85.02922	1.2
91.05469	1.5
93.03407	0.9
95.04975	1.7
97.02882	0.6
98.21609	0.5
99.04461	1.2
105.03391	1.4
107.04968	1.5
109.02866	4.0
111.00814	5.3
111.04426	1.0
114.05616	0.5
119.04961	3.3
121.02860	1.8
123.04436	40.2
127.03923	69.2
131.04900	0.7
133.02866	1.9
135.04448	2.1
137.02344	1.4
137.05922	0.7
139.03909	52.5
143.04866	0.7
143.82860	0.5
147.04404	14.4
147.05531	0.9
149.02351	1.8
149.03499	0.5
151.03912	21.5
153.01831	1.0
155.03424	1.3
157.06548	0.9
159.04401	1.1
159.95848	0.5
161.06004	2.1
163.03864	4.3
165.05496	6.8
167.03423	1.6
169.04980	1.0
169.06422	0.5
171.04466	1.3
173.06007	1.5
175.03914	14.5
177.05452	4.7
179.03406	30.4
181.04991	3.1
183.04395	0.5
185.05997	1.9
187.03954	0.8
189.05550	3.9
191.03387	6.8
193.04959	5.5
197.06052	1.1
199.03911	1.9
201.05521	3.2
203.01491	1.2
203.03397	22.0
205.05008	1.3
207.06548	1.9
213.05418	4.8
215.03307	0.6
217.04988	5.0
219.06596	0.7
221.04501	1.0
225.05209	0.6
227.03447	0.9
229.04948	4.9
231.06520	3.2
233.04396	1.6
241.04980	3.1
243.06523	0.5
245.04488	13.3
257.04471	15.3
258.05185	2.0
259.06049	3.9
263.05511	4.8
269.04443	4.4
271.06061	3.0
273.07678	0.9
275.05502	13.1
281.04437	0.6
283.06116	0.8
287.05508	100.0
291.08652	11.3
299.05530	13.5
301.06967	0.7
303.08688	2.3
305.06607	7.6
311.05490	1.2
315.08423	0.6
317.06555	10.2
329.06400	0.9
333.09692	1.3
407.07620	0.9
409.09204	15.5
421.09152	1.5
425.03055	1.1
425.08664	12.7
427.10263	6.2
433.09448	1.3
439.10367	3.5
443.09570	2.1
449.10934	0.9
451.10287	5.2
469.11380	2.1
539.89874	0.6
595.15265	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.36675	0.5
55.01877	1.1
59.01302	0.6
62.71043	0.5
65.03941	0.8
67.01868	0.8
67.05522	0.8
68.99793	6.1
70.64517	0.6
70.64835	0.9
81.03416	2.7
87.79256	0.5
91.05473	0.7
95.04979	1.4
99.04457	1.2
105.03386	1.2
107.04908	0.7
109.02866	2.2
111.00807	6.6
111.04424	1.4
119.04936	1.7
121.02887	1.1
123.04436	24.7
123.05339	1.2
127.03921	100.0
127.14639	0.5
128.04242	0.5
129.66676	0.5
131.04961	0.6
133.02855	1.0
135.04434	1.4
137.02420	0.6
137.68161	0.6
139.03908	56.0
147.04404	11.0
149.02397	3.0
149.05972	1.1
150.03291	0.7
151.03908	23.1
152.74879	0.4
153.01881	0.7
155.03413	1.1
157.06520	1.3
159.04396	1.2
161.05994	1.8
163.03885	4.3
165.05481	5.5
165.14041	0.5
167.03423	4.4
171.04466	1.3
173.05998	1.4
174.49217	0.5
175.02361	0.5
175.02618	0.3
175.03903	15.6
177.05467	4.8
179.03403	32.3
181.04951	1.0
185.02469	0.5
185.05995	1.9
187.03955	0.8
189.05490	2.5
191.03418	9.5
193.04968	3.5
197.06061	1.1
199.03934	1.4
201.05516	3.4
203.03395	23.6
205.05022	1.2
207.06595	1.0
213.05472	3.8
215.03407	1.2
217.04930	3.5
219.06557	1.0
227.03275	0.7
229.04951	4.5
229.07248	0.7
231.06487	3.0
233.04459	6.2
241.04916	2.7
245.04477	7.8
247.06055	1.6
251.05603	1.7
253.05121	0.6
257.04462	13.3
259.06021	3.6
263.05521	7.2
269.04489	4.0
271.06021	1.8
273.07727	0.6
273.99750	0.5
275.05499	21.1
281.04422	0.7
281.88052	0.5
287.05508	57.5
288.06104	0.8
289.06900	0.5
291.08627	13.5
299.05518	14.0
303.08813	1.1
305.06586	11.2
311.05563	0.6
317.06592	11.7
407.07822	0.7
409.09222	6.8
425.08670	16.4
427.10214	4.6
443.09772	6.8
451.10382	1.1
519.81494	0.5
551.88007	0.5
595.15100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
65.03944	1.3
68.99792	6.5
69.26026	0.7
70.96151	1.7
81.03413	2.8
91.05479	1.0
93.03395	1.5
95.04947	2.1
99.04414	1.1
105.03419	0.8
107.04972	1.6
109.02882	4.3
111.00819	5.5
111.04433	3.1
115.05418	1.1
119.04936	2.7
121.02895	1.7
123.04438	36.5
127.03926	100.0
130.35921	0.8
133.02840	2.1
135.04434	11.0
137.02307	2.5
137.05960	1.0
139.03911	92.6
141.06975	1.2
147.04411	10.1
149.02376	5.5
151.02747	1.6
151.03917	26.5
153.01848	1.3
157.06520	1.5
159.04398	2.4
161.05939	3.2
163.03918	18.2
165.05467	7.3
167.03409	7.5
169.04913	1.2
173.05963	1.5
175.03902	12.1
177.05463	5.6
179.03404	27.4
181.04955	2.8
181.06403	0.8
183.04523	1.2
185.05940	1.6
187.03903	2.5
188.07143	1.2
189.05521	5.6
191.03395	16.1
192.56499	0.8
193.04973	3.0
197.05881	1.4
199.03947	1.9
201.05496	7.2
203.03397	21.5
204.92104	0.8
205.04980	2.5
211.03954	1.1
213.05476	7.1
215.03493	1.9
217.04955	3.5
225.05605	0.9
227.03409	1.3
229.04953	7.4
231.06552	2.8
233.04486	8.4
237.38554	0.8
241.04968	2.3
243.06563	2.0
245.04485	14.7
247.06017	12.2
251.05501	1.9
253.04921	1.2
257.04483	18.2
258.05331	1.3
259.06046	6.0
263.05536	10.1
269.04596	4.9
269.82907	0.9
270.05148	0.9
271.06064	8.7
275.05542	29.2
281.04459	0.9
283.05963	3.3
285.07559	1.0
287.05521	69.2
289.07050	5.5
291.08646	12.2
293.12970	0.8
299.05533	18.1
301.07056	5.0
303.08768	2.2
305.06613	10.0
307.08041	2.1
311.05438	1.6
317.06577	20.1
391.08310	1.0
407.07394	1.1
409.09207	15.3
425.08682	16.4
427.10294	6.2
433.09125	1.1
437.08694	1.0
443.09793	10.2
451.10123	1.2
455.09497	1.7
595.14819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
52.57241	0.2
54.03194	0.1
55.01865	0.4
65.03933	0.3
68.99767	0.8
71.04977	0.2
71.08643	0.4
81.03432	0.4
85.02869	0.2
94.85235	0.1
95.04958	0.3
105.22863	0.2
107.04955	0.2
109.02877	0.5
111.00839	0.8
111.04462	0.3
117.06947	0.2
117.56796	0.2
119.04936	0.6
121.02856	0.6
123.04431	7.0
123.05334	0.4
127.03915	8.7
133.02846	0.3
135.04404	0.4
137.02361	1.9
137.03368	0.2
139.03903	10.0
143.04883	0.3
147.04414	2.6
149.02315	0.6
149.05887	0.2
151.03909	3.2
153.01724	0.2
155.03404	0.2
157.06468	0.6
159.04443	0.2
161.05965	0.6
163.03911	1.7
163.05147	0.3
165.01823	0.2
165.05495	1.1
167.03339	0.4
167.04822	0.1
169.06482	0.2
171.04388	0.4
173.06038	0.3
175.03922	1.7
177.05478	0.5
179.03392	4.5
181.04947	0.4
185.06000	0.7
185.76166	0.2
189.05458	1.1
191.03365	1.2
193.04951	1.0
197.06065	0.3
199.03944	0.3
201.05463	0.6
203.03386	2.5
203.07094	0.3
207.06374	0.2
213.05458	2.2
215.03557	0.3
217.04904	0.8
227.03511	0.2
229.04958	1.0
231.06506	1.4
233.04486	0.4
241.04947	1.2
242.05750	0.3
243.06427	0.3
245.04471	2.4
247.06061	0.7
257.04459	2.6
258.05188	0.4
259.06030	0.7
263.05502	1.5
269.04520	0.8
271.05988	0.8
273.07520	0.3
275.05499	2.9
281.04462	0.4
283.05975	0.3
287.05490	100.0
288.05679	0.4
289.07220	0.4
291.08575	1.5
299.05524	2.6
301.06918	0.4
303.08911	0.3
305.06445	1.2
311.05405	0.2
317.06552	1.8
329.06393	0.2
409.09186	3.3
421.09317	0.2
425.08664	2.4
427.10165	0.7
433.09244	0.2
439.10181	0.3
443.09683	0.8
449.10797	2.5
451.10068	1.2
469.11166	0.5
531.00494	0.2
577.12573	0.2
595.16571	4.9
599.88458	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
52.92707	0.3
53.03934	0.4
54.48891	0.3
55.01861	0.3
55.05502	1.0
57.03425	0.6
59.64792	0.3
61.02924	0.5
63.02364	0.4
65.03921	0.4
66.39380	0.3
67.05511	1.7
69.03429	1.0
70.23064	0.3
71.04984	0.3
71.52658	0.3
71.53054	0.5
79.05476	1.9
81.03416	0.8
81.07049	1.0
83.04984	2.4
85.02908	2.2
89.03922	5.4
91.03931	0.3
91.05492	3.6
93.07029	0.6
95.04961	0.6
95.08632	0.4
97.02881	0.7
105.07034	0.7
107.04946	2.0
107.08607	0.4
109.10159	0.6
111.04439	1.5
112.39770	0.4
117.03382	6.9
119.04952	8.6
119.08616	0.5
121.02883	0.4
123.04362	0.7
127.03907	0.5
135.04427	16.7
137.02327	0.7
145.02856	11.5
145.04004	0.7
147.04419	43.0
151.03891	0.5
153.01892	0.4
155.58383	0.3
163.03914	100.0
169.04935	1.0
170.05322	0.5
177.05481	1.0
179.03371	1.3
181.04967	0.4
186.05476	0.5
191.03413	0.3
197.04465	6.3
198.04805	3.5
201.05466	0.5
213.05540	0.4
258.05167	0.3
267.09561	0.6
267.12280	4.1
268.12610	3.0
275.09222	1.6
280.70819	0.3
281.03424	0.3
287.05524	31.4
291.08575	1.0
293.10175	1.9
299.05740	0.6
303.05142	1.8
309.09708	5.7
327.05023	0.3
329.06540	0.3
359.07449	0.4
361.33542	0.3
429.17120	0.4
449.09882	0.7
595.16528	0.8
595.29785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01851	0.1
57.03444	1.5
61.02931	1.8
68.99792	0.4
69.03417	0.4
70.06231	0.5
71.01347	0.2
71.04996	9.5
73.02905	0.5
75.04459	0.3
79.05473	0.1
81.03411	0.1
82.41569	0.1
83.04991	0.4
85.02910	12.0
87.04456	0.2
89.28472	0.1
91.03950	0.8
93.70443	0.1
97.02899	1.0
98.21337	0.1
103.03945	0.2
105.03361	0.2
107.04959	0.2
109.02879	0.3
111.00800	0.4
111.04449	0.3
116.94357	0.1
121.02872	1.6
127.03881	0.5
129.05487	3.7
133.02867	0.3
137.02338	0.6
144.31979	0.1
145.04955	0.5
145.06465	0.2
147.04416	0.4
147.06503	1.0
153.01823	2.6
157.06468	0.2
165.01836	1.3
183.02910	0.4
185.06042	0.2
203.07137	0.1
213.05495	1.1
217.04985	0.1
231.06532	0.4
236.60400	0.1
241.04912	0.7
258.05170	0.6
259.06006	0.3
287.05505	100.0
288.05820	0.7
299.05698	0.2
329.06409	0.2
348.82574	0.1
353.06848	0.2
357.92542	0.1
446.90237	0.1
449.11084	0.7
589.40479	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.01870	1.1
55.05503	3.2
57.03441	10.7
59.05010	1.4
64.34130	0.8
69.03442	7.1
69.27717	7.0
71.01365	0.8
71.05000	62.1
73.02925	10.7
75.04490	2.0
80.15020	0.7
81.03437	1.4
83.04990	11.9
85.02913	65.0
87.04473	1.4
95.04975	1.4
95.97466	0.8
97.02911	1.2
97.06577	1.0
98.20806	1.9
99.04463	3.7
111.04462	8.3
113.06044	1.4
117.05508	8.4
117.11488	0.7
121.02866	1.5
123.04475	0.8
127.03949	2.7
129.05492	21.6
137.02347	5.6
137.03271	1.0
138.41908	0.8
139.73624	0.8
147.06549	7.4
153.01831	2.3
153.05476	3.3
159.80138	0.8
163.03944	1.1
163.06017	11.4
163.07224	1.1
165.01884	1.7
171.06509	1.4
179.04829	0.9
179.07048	0.9
182.40636	0.7
201.05495	1.9
221.08092	0.9
229.05054	2.5
239.09154	2.4
257.04483	3.5
275.11206	1.0
285.04050	1.4
287.05496	9.4
299.05588	1.6
303.05020	100.0
315.04974	8.8
327.04956	2.3
341.06516	2.3
345.06058	17.6
353.06473	1.5
367.08115	1.3
369.06039	5.6
374.19357	0.8
391.66324	0.9
395.07758	4.8
413.08746	10.1
431.09769	5.5
449.10901	21.7
595.15790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
52.03788	0.1
53.03944	0.2
55.05491	0.3
57.03435	2.3
58.56970	0.1
61.02914	0.3
68.99794	0.4
69.03431	0.3
69.81007	0.3
69.81416	0.7
70.06582	0.3
71.01370	0.2
71.04995	15.7
72.08158	0.2
75.04461	0.6
79.34137	0.1
83.04973	0.5
85.02908	16.6
86.09692	0.4
87.04444	0.3
97.02863	0.2
99.64184	0.2
107.04956	0.2
111.00802	0.5
111.04434	0.2
121.02871	1.8
123.04359	0.3
127.03886	0.4
129.05486	3.9
133.02808	0.4
135.04404	0.2
137.02338	0.7
139.03891	0.3
147.04399	0.6
147.06508	0.7
153.01826	2.0
155.17072	0.1
155.45126	0.1
157.06464	0.3
163.03879	0.5
165.01822	1.1
167.06961	0.2
171.04422	0.2
181.04897	0.2
183.02899	0.4
185.05940	0.5
203.06908	0.2
213.05449	1.1
231.06528	0.7
241.05019	0.7
258.05209	0.8
259.06061	0.3
269.04297	0.3
287.05496	100.0
288.05807	0.5
301.07431	0.2
329.06622	0.4
356.78546	0.2
410.02649	0.2
449.10818	14.0
460.56995	0.2
584.41852	0.2
595.16724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01884	0.6
55.05519	8.6
56.51886	0.6
57.03450	7.4
57.07090	0.7
57.54419	0.6
65.03934	1.4
67.05516	30.6
69.03428	1.3
69.06776	0.7
69.07085	7.2
71.04997	1.2
79.05071	1.0
79.05506	16.2
81.03423	4.2
81.07074	26.4
83.08641	3.2
85.02914	1.2
85.06519	0.5
85.18353	0.6
91.05492	9.0
92.75745	0.6
93.06484	1.0
93.07059	16.8
95.04963	1.7
95.08621	20.2
97.06540	1.7
97.10159	1.2
97.71069	0.5
98.98483	10.2
99.08102	0.8
105.07040	5.9
106.96385	0.7
107.08622	9.6
109.02894	3.3
109.06558	0.9
109.10169	7.8
111.08075	1.0
117.07051	1.7
119.08627	3.9
121.10167	7.2
121.70951	0.6
123.11734	2.0
125.09624	0.6
127.03947	1.4
129.05495	0.6
131.08569	3.1
133.10164	3.8
135.11734	4.1
143.01497	0.6
145.10156	2.0
147.11703	2.0
149.13280	1.7
155.01065	2.3
159.11703	1.6
161.13239	0.8
163.06065	0.9
173.13290	1.4
175.14871	0.9
261.03781	2.8
261.22211	2.7
278.13077	0.6
287.05630	1.5
317.06512	0.7
317.24753	0.9
335.25851	100.0
433.20258	1.2
490.82187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.3
55.01865	4.1
55.05517	13.4
57.03443	9.6
58.17138	3.3
65.03944	4.2
67.05509	86.9
69.03440	4.7
69.07072	22.0
71.04986	4.0
71.53529	4.8
79.05495	41.6
80.90275	2.7
81.07062	86.6
83.04993	7.6
83.08629	11.2
85.02888	3.2
85.06535	6.1
91.05486	62.9
93.07055	54.0
94.31257	3.3
95.04973	8.3
95.08618	52.9
97.06586	3.7
103.04008	3.1
105.07040	51.7
107.08605	49.3
109.10165	68.2
113.06059	3.9
117.07030	12.5
119.08584	19.8
121.10167	20.5
123.08154	5.4
123.11726	14.1
128.06206	3.0
131.08566	15.0
133.10144	100.0
135.11720	16.2
137.09557	3.7
143.08565	10.6
145.10129	11.2
147.11700	7.3
149.13281	10.8
151.11182	47.4
154.96172	3.1
159.11742	7.5
161.01437	3.0
161.09650	20.3
161.10883	3.8
161.13280	7.0
165.74287	3.2
169.12279	8.7
173.13329	6.7
175.14839	3.0
179.10661	17.7
187.14838	5.6
197.11708	6.4
208.39868	3.4
215.12794	31.2
233.22591	4.5
243.21132	8.3
253.14410	23.7
261.22159	41.4
271.15329	8.2
274.77945	3.5
279.23105	8.1
287.05405	9.1
299.14932	5.0
299.23370	3.2
317.15970	81.5
317.24820	10.8
335.25809	79.7
377.42154	3.3
531.36700	6.5
548.76233	3.0
577.37500	19.9
595.38104	11.3
623.81927	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	596.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50384	1.1
53.03949	3.2
55.01878	9.0
55.05516	51.3
57.03440	19.0
57.07082	2.5
59.05003	6.2
61.02923	5.7
65.03938	3.5
67.05509	100.0
69.03429	7.1
69.07062	11.9
70.10924	5.8
71.01366	2.3
71.04993	7.0
73.02927	4.3
75.04491	2.4
77.90688	1.3
79.05070	2.0
79.05501	29.4
81.03432	11.7
81.07064	36.3
83.01351	1.7
83.05002	11.5
83.08625	23.5
85.02913	25.8
85.06541	3.6
87.04466	7.9
91.03959	1.9
91.05492	16.0
93.07049	18.1
93.58810	1.4
95.04982	7.3
95.08614	15.6
97.02881	7.1
97.06550	6.7
97.10178	38.3
98.14453	1.2
98.20893	1.5
99.04482	1.3
103.03951	16.0
105.07025	6.5
107.04954	6.6
107.08604	19.3
109.06543	2.4
109.10165	81.1
111.04450	4.8
111.08092	4.0
113.05981	1.6
117.07061	3.8
119.08577	10.9
121.10152	5.6
123.08043	2.5
125.09640	49.6
127.11202	1.5
129.05492	2.0
129.07027	2.4
131.08575	2.4
133.10141	3.2
135.08055	1.5
135.11703	8.5
137.09642	4.7
143.10692	11.4
145.10143	6.5
147.08003	1.8
147.11676	1.7
149.09636	1.9
153.12747	13.2
155.08649	1.9
155.10638	7.5
163.11183	20.4
170.11803	1.4
173.04645	1.5
173.09601	4.0
173.11755	41.7
174.29401	1.5
181.12236	12.8
189.11275	3.0
191.10670	5.5
193.12230	2.8
199.13292	10.2
209.11708	16.0
217.14391	10.0
227.12776	20.2
229.14366	85.5
232.38324	1.6
245.13808	6.2
257.13876	31.2
273.16956	1.9
283.15411	22.6
287.05670	2.1
288.05777	3.0
301.16479	59.9
318.36923	1.5
319.17487	14.0
399.23819	4.9
436.20572	1.5
596.23651	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	596.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09829	0.8
53.03937	2.7
55.05520	10.8
57.03445	5.9
57.07067	1.5
59.19130	1.1
60.96854	0.8
65.03928	2.7
67.05514	53.9
69.07079	9.1
71.05003	16.9
79.05503	28.8
81.07067	75.4
83.04978	3.0
83.08640	5.3
85.06556	5.9
88.68532	0.9
91.05492	20.9
93.06488	1.8
93.07055	33.7
95.04958	3.0
95.08620	23.3
97.06565	4.6
97.10133	1.5
105.04469	1.1
105.07044	13.0
107.08607	14.7
109.06516	1.4
109.10171	9.0
111.08089	1.3
117.07016	3.2
119.08613	6.2
119.31944	0.9
121.10153	13.7
123.11720	10.4
127.07581	0.8
129.63905	0.8
131.08612	5.9
133.10152	13.7
135.11697	7.3
145.10121	3.9
147.11707	3.0
149.13245	5.4
151.11208	6.3
159.11699	3.8
161.13261	2.8
173.13147	1.7
177.12773	1.6
183.13829	2.8
187.13309	4.3
187.14894	1.4
195.13727	2.0
197.39745	0.9
200.11319	0.8
201.14899	1.8
221.04549	0.9
227.16496	1.4
257.17374	1.7
261.22168	2.0
269.17484	4.8
301.20111	19.6
311.29303	1.0
335.25842	32.3
485.36111	1.9
503.37366	100.0
517.38831	3.9
529.38971	5.7
561.41547	53.1
561.48737	0.7
561.50635	1.5
596.47473	2.3
609.74048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05270	0.7
55.05515	10.6
57.03443	6.8
57.07072	2.2
65.03940	0.8
67.05509	25.0
69.03423	0.9
69.07073	13.3
70.21857	1.9
71.04991	0.7
71.08636	0.6
79.05500	6.8
81.03438	2.6
81.07061	24.1
83.04997	1.4
83.08617	6.6
85.06562	0.7
91.05476	5.3
93.06500	0.5
93.07051	6.9
95.08609	19.3
97.06530	1.8
97.10171	3.6
98.98478	9.1
105.07037	3.4
107.08582	4.3
108.75269	0.5
109.02874	2.6
109.06522	0.6
109.10165	6.4
111.08028	0.5
111.11726	0.5
119.08569	3.3
121.10137	3.7
123.11701	2.4
127.04000	0.6
131.08598	0.5
133.10088	2.4
135.11691	1.7
135.19299	0.5
137.13287	0.7
147.04364	0.5
147.11676	1.7
149.13292	0.8
151.14912	0.5
155.01033	2.1
159.11600	0.5
161.13280	1.3
163.14833	1.3
173.02089	0.6
175.14882	0.7
209.13425	0.6
245.22612	0.5
261.03711	1.6
263.23758	1.4
283.38739	0.6
292.42227	0.5
300.03162	0.5
301.20221	0.7
317.06128	0.6
321.76050	0.5
335.07419	0.9
337.27377	100.0
338.27402	0.5
432.82245	0.5
597.39392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.9
55.01874	8.2
55.05521	5.3
57.03440	3.3
57.07080	20.3
63.15700	1.1
67.05505	10.4
69.03434	18.5
69.07059	5.9
69.22790	10.1
70.06595	17.9
71.05007	8.6
71.08637	17.1
73.02926	7.1
75.26469	1.0
79.05501	2.9
79.12673	1.2
81.03419	25.8
81.07059	12.5
83.08620	8.8
84.04510	4.3
85.02902	9.5
85.10178	9.1
88.07645	2.1
88.42149	1.1
89.06053	1.3
91.05435	1.3
93.07024	2.9
95.08612	16.4
97.02891	29.7
97.10164	4.0
99.04460	52.6
104.79361	1.0
105.07049	1.4
107.08620	1.5
109.02887	41.6
109.10168	6.3
116.07088	24.4
119.08596	2.0
121.10142	2.7
123.11718	2.6
125.01070	1.0
127.03925	100.0
137.13184	1.2
145.04965	13.7
149.02380	1.4
149.05977	5.5
167.10632	1.8
217.38460	1.2
239.23686	15.6
257.24628	1.8
284.29422	3.9
311.25784	4.6
318.11108	1.1
335.25790	3.0
341.10178	4.7
383.27942	30.8
401.28995	61.6
580.38916	2.1
598.37317	13.7
621.92236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86439	1.7
55.05515	13.9
56.60685	1.5
57.03448	7.0
57.03683	1.2
57.07084	3.5
65.03934	2.1
67.05512	64.9
69.06734	1.4
69.07080	16.6
69.33225	10.7
70.57811	1.2
71.04996	12.8
79.05506	18.0
81.07063	84.9
83.04986	2.9
83.08629	11.9
85.06553	5.0
91.05486	17.2
93.07049	19.1
95.04962	1.6
95.08619	34.2
97.06540	5.1
97.10159	3.3
99.08108	1.6
105.07044	10.0
105.14476	1.5
107.08606	14.1
109.10160	13.5
111.08109	2.1
117.06992	2.5
119.08613	4.8
121.10121	7.9
123.11720	11.3
131.08553	2.8
133.10144	16.0
135.11739	4.9
147.11708	2.1
149.13255	4.1
151.11215	3.8
155.69958	1.5
159.11716	3.1
161.13246	1.8
166.48279	1.4
175.14867	1.6
177.12883	1.6
183.13893	1.8
187.13356	2.7
195.13710	1.5
263.23758	2.3
269.17569	5.0
301.20117	17.6
329.51416	1.6
337.23318	2.0
337.27390	39.2
342.59744	1.4
505.38916	100.0
506.38916	1.6
519.40222	3.6
531.40308	7.2
542.35547	1.4
563.43060	57.7
585.67010	1.6
598.48651	3.0
598.62323	1.6
604.02252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01861	11.4
55.05513	54.0
57.07069	5.9
59.04998	3.8
65.03936	5.0
67.05503	51.4
69.03130	3.2
69.03431	31.7
69.07071	23.2
70.92060	5.9
71.04982	12.2
79.05500	34.4
80.06279	3.5
81.07059	46.8
83.04984	32.9
83.08621	60.7
85.06551	9.9
87.04457	10.2
91.05482	53.7
93.06490	4.9
93.07052	80.0
95.04974	38.8
95.08607	61.9
97.06536	60.5
97.10121	4.3
103.05459	5.8
105.04533	4.1
105.07037	92.3
107.04958	6.1
107.07881	5.2
107.08598	93.0
109.06525	19.5
109.10144	22.3
111.08067	11.1
113.09651	28.2
115.05466	5.7
116.06272	4.1
117.07025	16.7
117.07745	3.1
119.08585	79.1
121.06497	15.1
121.10149	83.4
123.08066	22.9
123.11683	8.7
125.09628	36.6
127.11202	3.3
128.06213	10.4
128.72734	3.3
129.06953	18.4
130.07784	5.1
131.08582	40.0
133.06516	4.8
133.10133	53.8
135.08046	18.7
135.11694	13.4
137.09595	11.9
139.11186	37.9
141.06982	10.1
142.07790	26.2
143.08565	53.7
144.09335	14.8
145.06470	6.5
145.10133	71.3
147.08034	10.2
147.11716	19.5
149.09639	23.9
149.13237	3.5
151.11153	7.0
153.06961	6.1
153.09122	4.3
153.12737	10.6
155.08589	19.2
155.10675	32.3
156.09367	18.8
157.10138	76.6
158.07271	4.5
158.10918	4.6
159.08046	22.2
159.11699	42.8
161.09627	19.0
161.13290	9.5
163.11172	11.3
165.06987	7.7
165.09129	4.7
165.12665	3.7
167.08542	12.9
167.10684	62.3
168.09317	10.4
169.10152	47.3
170.10852	7.0
171.11699	45.6
173.09605	8.7
173.13234	23.2
175.11168	13.1
175.14813	7.4
177.12759	5.9
179.08580	16.6
179.14305	11.8
180.09332	8.6
181.10161	20.0
181.12248	49.2
182.10918	10.2
183.11671	36.6
185.09599	9.0
185.13246	18.2
187.11154	7.7
187.14796	9.7
189.12724	9.2
191.14317	8.2
192.09302	5.7
193.10162	19.7
194.10924	12.2
195.11707	35.5
195.13814	13.6
196.12473	9.0
197.13251	31.1
199.11148	10.7
199.14861	15.8
201.12662	4.5
203.14346	7.4
204.09294	4.1
205.10135	5.9
206.10922	10.5
207.11774	19.9
207.13651	5.0
208.12506	5.7
209.13301	53.5
209.15179	6.9
211.14871	21.4
213.12727	6.4
213.16402	3.7
215.14294	8.0
217.10110	4.2
217.15845	10.8
218.10942	6.0
219.11717	11.1
220.12492	7.1
221.13220	20.7
221.15350	30.7
222.13811	3.4
223.11229	5.4
223.14923	19.9
223.16669	4.1
225.12732	5.9
225.16359	8.2
227.14284	5.6
230.11032	4.0
231.11708	5.8
232.12422	8.5
233.13237	11.6
233.15356	52.4
234.13960	4.2
235.14792	18.0
235.16925	6.8
237.16339	7.0
239.14334	7.3
239.18025	3.8
243.17519	4.5
243.92685	3.5
245.13220	7.6
247.14980	5.7
247.17000	10.7
249.16388	14.5
251.17845	6.9
253.15883	5.2
257.13205	4.0
257.19052	4.2
259.14767	6.5
259.17108	6.2
260.15570	3.3
261.16345	6.0
261.18756	5.2
263.17929	9.6
265.19696	5.5
267.17380	3.2
269.18924	12.6
273.16129	6.4
273.18719	6.9
275.17947	10.9
277.19421	7.5
281.19000	9.4
283.20621	5.2
285.18457	10.8
287.20154	6.1
289.19489	3.7
293.18921	5.3
295.20615	7.8
299.20218	25.5
301.21881	7.5
307.20651	4.6
311.19989	10.0
317.22577	4.0
317.47342	3.6
321.22235	3.9
333.22079	6.0
351.23108	6.3
353.15207	4.2
359.24091	3.7
361.25272	4.1
363.23184	4.2
365.24704	7.2
373.25330	4.4
377.24728	10.8
383.25836	7.7
391.26453	5.2
395.27328	3.6
401.27243	4.0
408.98486	3.8
413.28040	9.7
431.29434	6.9
493.57602	3.8
507.34506	6.4
563.38110	3.6
581.32605	3.6
581.40039	38.6
599.40985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63610	3.0
52.42237	2.5
53.03938	10.3
55.01873	10.4
55.05516	63.0
55.47177	2.5
57.07063	8.2
59.05001	5.4
63.12988	2.7
65.03941	8.9
67.05508	48.5
68.73267	2.6
69.03439	31.1
69.07079	31.5
69.25320	27.3
71.04989	12.2
77.03923	3.3
77.39797	2.9
79.05499	42.1
81.03419	3.7
81.07063	39.4
83.04984	33.5
83.08146	5.2
83.08627	75.1
85.06548	9.6
87.04437	2.7
91.05490	59.9
91.06036	5.7
93.07052	80.4
95.04982	39.3
95.08614	53.1
97.06543	64.9
99.08121	5.3
103.05492	4.2
105.04536	3.3
105.07041	100.0
106.42129	3.0
107.04939	3.5
107.07873	6.0
107.08598	93.7
108.72160	2.8
109.06549	19.0
109.10159	36.5
111.08104	14.0
113.09641	34.3
115.05473	10.4
117.07016	20.4
119.06116	2.9
119.08593	81.9
121.06538	18.5
121.10152	80.0
123.08058	20.5
123.11706	6.8
125.09639	36.1
127.11182	3.5
128.06223	18.0
129.07010	19.5
130.07780	9.2
131.08588	45.4
133.06525	3.6
133.10136	49.3
135.08084	20.1
135.11696	13.7
136.08844	4.2
137.09613	11.5
139.11191	34.5
141.07024	10.3
142.07797	32.1
142.38596	2.9
143.08569	43.2
144.09341	11.5
145.06480	6.3
145.10132	65.1
147.08072	9.0
147.11705	14.1
149.09636	22.6
151.07584	3.8
151.11163	4.1
153.07028	4.5
153.09140	4.4
153.12778	10.7
154.07768	6.0
155.08589	27.6
155.10683	33.6
156.09346	24.1
157.10146	74.0
158.10875	9.0
159.08086	19.1
159.11710	42.4
161.09602	18.5
161.13283	8.1
163.11230	8.1
165.07056	8.2
165.09088	5.6
166.07805	4.5
167.08600	16.2
167.10692	77.7
168.09357	12.8
168.91240	2.9
169.10133	44.4
170.10941	10.8
171.08090	3.5
171.11713	40.0
173.09669	12.3
173.13283	20.8
175.11177	12.5
175.14874	7.0
177.08951	3.0
177.12668	3.6
179.08563	23.0
179.14301	9.2
180.09341	10.6
181.10307	19.0
181.12219	46.5
182.10948	16.3
183.11703	40.2
184.12514	4.8
185.09619	6.9
185.13310	22.6
187.11244	6.9
187.14847	8.2
189.12744	10.2
191.14319	11.4
192.09331	7.0
193.10156	18.2
194.10971	20.7
195.11722	27.5
195.13789	10.6
196.12486	7.3
197.09615	3.4
197.13310	32.4
199.11116	4.0
199.14848	19.0
201.12682	6.8
203.14395	4.1
205.10091	3.2
205.15990	4.7
206.10968	7.1
207.11737	20.4
207.13623	4.7
208.12445	11.7
209.09821	3.1
209.13286	65.4
209.15346	9.9
210.14081	7.8
211.11124	3.9
211.14850	21.4
213.12712	6.5
213.16333	4.9
215.14296	8.4
217.10045	3.3
217.15909	11.5
218.10912	5.0
219.11664	8.4
220.12514	11.8
221.13271	21.5
221.15402	26.3
222.14005	6.1
223.14850	20.3
224.15508	3.2
225.12755	3.9
225.16400	8.1
227.14424	6.6
230.10861	5.6
231.11754	8.3
233.13251	9.6
233.15370	60.7
234.14131	3.4
235.14833	14.5
235.16925	5.7
237.16400	10.9
239.17909	4.5
241.15941	4.6
243.11659	3.7
243.17566	3.6
244.12563	5.4
245.13246	8.8
245.15497	5.5
246.14037	3.6
247.14825	9.1
247.17035	9.5
248.15681	3.1
249.16327	17.7
251.14214	3.8
251.18117	4.4
253.16072	3.1
255.17094	3.7
257.13263	4.7
257.19003	4.5
258.14029	4.9
259.14810	6.3
259.17120	3.6
260.15530	4.1
261.16425	9.9
261.18781	4.0
263.17908	7.5
267.17523	3.4
269.19080	9.6
273.18546	9.5
274.17050	3.8
275.17984	7.7
277.19479	4.8
281.18839	5.2
283.20535	7.8
285.18625	16.3
286.19284	3.2
287.17587	4.9
289.19516	3.7
291.17511	3.5
298.19177	2.9
299.20325	19.7
301.21744	6.4
303.21371	4.0
307.20636	4.4
311.20212	13.1
313.21826	4.9
315.21094	4.4
321.22318	4.9
351.23129	4.8
363.23447	5.6
364.23953	7.3
365.24765	6.4
377.24838	14.9
383.25763	11.6
391.26245	6.3
401.26755	3.5
413.28275	8.7
431.29498	12.5
439.45251	3.3
581.39850	20.5
599.40967	86.3
599.50500	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.8
52.73138	0.6
53.03943	1.4
55.01870	3.5
55.05516	9.5
57.07079	6.5
59.04971	1.7
60.65611	0.8
65.03918	1.3
67.05512	12.3
69.03426	9.4
69.07040	3.1
69.16508	8.3
71.05001	4.0
79.05489	10.4
81.03386	0.9
81.07063	11.9
83.04982	7.8
83.08624	9.4
85.06507	2.6
87.04411	1.3
91.04915	0.9
91.05478	16.5
93.07048	28.0
95.04983	9.1
95.08613	19.6
97.05929	1.3
97.06532	20.2
103.05447	1.4
105.04495	1.6
105.07034	25.6
107.08599	19.4
109.06505	5.3
109.10159	7.4
111.08080	3.6
113.09656	8.2
117.07022	6.7
119.04897	1.3
119.08588	24.7
121.06540	4.8
121.09347	0.9
121.10146	17.0
123.07219	1.3
123.08069	16.6
125.05972	2.3
125.09616	6.4
128.06210	3.3
129.06996	4.8
130.07826	3.5
131.08571	10.8
133.06458	2.3
133.07457	0.7
133.10132	12.5
135.08073	8.7
135.11734	5.0
137.08653	1.2
137.09619	11.2
139.07535	1.2
139.10252	0.9
139.11197	11.0
141.06967	2.5
142.07774	6.4
143.08562	12.8
144.09337	3.1
145.06488	1.4
145.10130	22.9
147.06952	1.5
147.08046	19.5
147.11662	4.0
149.09595	3.3
151.07541	13.2
151.11194	0.9
153.06955	0.8
153.09094	0.9
153.12692	3.3
154.07774	1.3
155.08646	4.4
155.10661	10.1
156.09387	5.4
157.10132	18.3
158.10957	1.7
159.08023	2.9
159.11714	9.6
160.08784	1.1
161.09622	4.6
161.13245	5.3
163.11169	7.4
165.06911	2.0
165.09120	40.1
166.07788	1.3
167.08543	3.4
168.09326	2.1
169.10118	10.2
169.12236	1.0
170.10881	3.2
171.11697	12.5
172.08821	1.1
173.09595	3.0
173.13298	4.2
174.10378	0.9
175.11258	1.9
175.14780	2.4
177.09102	1.3
177.12756	1.3
177.55057	0.8
179.08569	3.6
179.14246	5.7
180.09259	1.9
181.10133	5.2
181.12212	18.7
182.10880	3.2
183.08174	0.9
183.11716	10.4
185.09616	1.5
185.13257	4.9
187.11133	2.2
187.14830	1.1
189.12732	4.5
191.10597	1.4
191.14317	1.6
193.10106	4.5
193.12045	1.0
193.15891	1.0
194.10905	2.8
195.11678	8.6
195.13789	5.6
196.12479	2.1
197.09650	1.1
197.13252	9.2
199.11163	1.9
199.14774	2.2
201.12694	2.1
203.14305	15.6
205.15858	1.6
207.11694	4.0
207.13780	6.7
208.12483	2.8
209.13306	7.1
209.15193	1.3
211.11174	1.6
211.14819	6.4
213.12796	1.1
215.14391	1.2
217.15811	2.1
219.11781	1.0
220.12399	1.1
221.13409	5.4
221.15361	100.0
223.14836	8.4
225.12836	1.2
225.16418	1.2
227.14435	1.0
229.15907	1.4
230.16649	0.8
231.17273	0.8
233.13225	2.7
233.15405	2.6
235.14757	2.9
235.16948	1.4
237.12669	1.1
241.15712	1.1
243.17485	1.3
245.13182	1.1
245.15440	1.3
247.14735	1.6
247.16972	10.6
249.16380	3.0
251.17879	3.6
254.82458	0.8
255.17574	1.3
257.19116	1.6
259.14746	0.9
261.18692	1.6
263.17926	1.4
265.19345	0.8
269.19083	1.3
273.18542	2.1
275.17773	1.6
275.20392	1.1
281.18979	1.0
285.18497	3.2
285.36835	0.8
286.19257	1.0
287.20108	7.6
289.19534	1.0
298.19281	2.7
299.20114	12.7
301.21655	3.2
307.20660	1.0
311.20151	4.3
313.21640	5.3
323.19870	1.6
325.21545	2.2
333.22171	1.0
353.24890	1.2
358.11731	0.7
363.23224	0.9
365.24780	4.9
375.23111	0.9
376.23508	0.9
377.24677	1.0
387.25235	3.0
391.26508	6.6
413.27246	3.2
419.29529	5.3
427.28543	2.1
431.29636	3.2
453.30322	1.5
507.34949	2.1
508.33163	1.0
519.34882	1.2
543.34741	2.5
581.40173	4.1
599.40967	44.3
614.99231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17042	0.5
55.01881	1.4
55.05511	3.7
56.05021	0.8
57.03429	0.9
57.07077	0.6
57.98796	1.2
58.99289	0.9
58.99591	16.9
65.03957	0.9
66.62672	0.4
67.05509	8.4
69.03426	1.2
69.07080	5.2
69.36533	0.4
69.93945	0.8
69.94255	2.5
71.04989	1.0
73.01145	0.8
76.02233	74.1
76.04006	2.7
78.03816	0.7
79.05505	6.0
81.03431	1.0
81.04198	0.4
81.07058	9.4
83.04990	2.2
83.06103	1.7
83.08598	2.3
84.04511	13.2
85.02898	1.1
86.99054	4.0
88.02225	1.3
91.05482	6.9
93.07053	10.0
95.04990	2.3
95.08614	7.6
97.01150	0.7
97.02853	0.5
97.06545	1.3
97.10183	1.3
99.05574	0.8
105.07045	9.1
107.04964	2.0
107.08603	5.8
109.06546	4.5
109.10165	2.5
111.08090	1.3
114.03753	0.8
116.01687	19.7
117.07032	2.6
119.08589	6.4
121.06520	4.0
121.10119	3.0
123.08077	2.0
123.11686	0.9
125.09651	1.0
129.06639	1.1
130.05013	4.1
131.08577	6.7
133.06494	1.6
133.10139	6.5
135.08073	2.2
135.11702	2.1
137.09651	1.1
141.04839	0.8
142.03239	7.2
143.08560	1.6
144.01160	12.0
145.06311	1.1
145.10143	4.8
147.04391	0.5
147.08090	1.7
147.11710	5.0
149.09634	2.1
149.13295	1.7
151.11153	1.2
155.08549	0.8
157.10182	1.4
159.08128	1.1
159.11700	3.6
161.09653	1.6
161.13300	1.2
162.02217	40.0
163.11194	2.0
169.10158	0.7
170.02759	2.6
171.11719	1.4
173.09651	1.2
173.13248	2.9
175.11201	1.4
175.14839	0.6
177.12744	1.4
179.04866	100.0
183.11775	0.8
185.13301	0.6
187.05319	2.6
187.11186	1.0
189.12869	0.8
191.14297	1.1
193.68533	0.5
197.13264	0.8
199.14763	0.6
201.12674	1.2
207.13795	2.3
208.61699	0.7
215.04884	1.4
215.14395	0.6
219.13811	1.5
227.04861	0.8
229.19463	0.7
231.17433	0.6
233.05931	12.6
239.17990	0.7
245.05951	4.1
247.20602	1.2
255.17462	0.5
257.19022	4.3
265.11118	0.5
273.18488	3.7
275.20081	26.7
290.08026	1.1
291.06607	2.4
291.19598	2.2
293.17816	1.0
293.21121	20.5
308.09122	34.1
368.22559	11.6
369.23154	0.7
378.20987	0.8
422.12524	0.5
441.03055	0.4
453.24173	7.0
454.23242	0.5
471.25418	3.7
525.26135	4.2
537.26257	0.5
582.28564	1.8
600.29517	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	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50942	0.3
55.01870	1.2
55.05508	2.7
56.05033	0.8
57.03433	0.4
57.07073	0.5
58.99581	1.2
66.99854	0.3
67.04243	0.5
67.05175	0.5
67.05507	6.6
69.03397	0.4
69.07071	3.5
70.10707	0.7
70.11057	0.5
71.04990	0.7
73.96290	0.2
74.00672	1.9
74.64761	0.3
76.02236	1.5
76.02592	0.3
76.68709	0.3
79.05067	0.4
79.05498	5.5
80.05013	1.6
81.03428	0.5
81.07063	18.5
82.06565	0.3
83.04974	0.7
83.06102	1.6
83.08613	2.5
84.04513	4.5
85.01139	1.1
85.06540	0.7
86.00657	0.8
86.28187	0.3
91.05480	5.0
93.05779	0.3
93.07055	6.0
94.06562	1.1
95.04975	2.0
95.08617	9.9
97.01147	1.6
97.06535	0.9
97.10158	0.3
99.00861	0.3
99.01431	3.1
99.02681	0.4
99.05574	0.6
99.08060	0.4
100.02209	4.7
105.07038	5.4
106.06543	0.9
107.04984	1.5
107.06058	0.5
107.08612	4.5
108.08146	0.8
109.06526	3.5
109.10152	2.7
110.09695	0.3
111.02680	0.8
111.08060	0.6
112.02200	8.1
112.03876	0.3
113.02991	1.5
113.04241	0.8
114.03761	7.4
115.05806	0.4
116.01687	1.8
117.07008	1.4
119.08587	4.3
119.54367	0.3
120.08126	1.2
121.06487	1.0
121.10159	2.9
121.33613	0.3
123.02728	0.6
123.08064	0.7
123.11729	0.8
125.04239	1.1
125.09632	0.4
126.03754	2.5
129.06509	1.6
130.05025	1.5
131.08598	2.9
132.08171	0.4
133.10123	3.0
134.09669	1.0
135.08072	1.1
135.11710	1.2
136.03967	0.4
137.04193	0.9
137.09605	0.4
138.03743	1.9
139.03279	0.8
139.05779	0.6
140.05304	6.6
141.02483	0.4
141.03725	0.3
141.04874	0.5
141.07130	0.3
142.03212	1.0
143.08530	0.5
144.01170	0.5
145.06120	0.6
145.10132	2.5
147.08063	0.6
147.11694	3.2
149.04211	0.6
149.09628	1.6
149.13303	1.6
151.05789	0.7
151.11227	0.4
152.05287	1.7
153.06610	0.6
154.06859	1.3
155.08473	0.4
157.10146	0.8
159.08083	0.4
159.11664	1.0
161.13264	1.0
162.02205	1.0
163.05762	0.4
163.11212	1.1
163.14847	0.6
165.07378	0.4
165.12805	0.7
166.06883	1.5
167.07599	0.5
168.08432	15.4
169.06133	0.4
171.11749	0.8
173.09637	0.4
173.13249	2.3
175.11249	0.4
179.04866	1.2
180.08490	0.4
181.06178	0.9
185.03778	1.8
187.05429	0.8
187.11182	0.3
189.03294	0.4
191.14345	1.3
193.12254	0.5
199.07135	0.3
202.04112	1.5
207.13872	0.6
208.13396	0.4
208.16966	0.4
209.09329	0.7
209.15381	2.5
211.06995	0.4
215.04878	0.4
216.05656	2.7
218.15556	0.5
222.14923	0.5
223.11028	0.5
224.16519	0.4
229.06396	0.4
231.04388	3.5
233.05939	1.2
236.14514	1.5
236.16672	0.5
241.06415	1.4
247.20581	0.6
248.16547	0.4
255.07948	3.1
256.09155	0.4
257.19131	0.7
264.14203	6.3
265.14990	0.7
269.09598	1.5
270.10349	5.7
271.11105	1.3
275.17325	0.5
275.20099	6.4
281.14548	1.6
282.15244	30.2
292.22797	0.7
293.21185	1.3
294.15271	0.4
307.17380	0.6
308.09058	1.4
309.13956	0.3
321.16238	0.4
323.16037	1.1
324.19922	0.5
325.15744	0.4
332.20468	0.6
333.18915	2.1
339.17487	0.9
350.21484	9.9
351.19843	1.9
368.22562	12.6
378.20908	0.8
384.17169	9.6
385.17938	2.1
407.23898	0.4
435.23334	0.7
453.24216	100.0
454.24512	1.1
471.25143	0.5
479.25806	0.4
507.25330	0.5
525.26251	5.2
582.28375	1.6
583.26678	0.5
600.29584	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74029	2.6
51.02359	2.6
53.03947	8.5
55.01870	3.7
55.05518	29.0
57.07088	16.8
59.04982	4.6
65.03917	4.4
67.05518	32.9
69.03429	17.6
69.07069	24.0
69.33288	23.3
71.04986	11.6
77.03933	4.6
79.05500	36.1
80.05849	3.9
80.06274	2.7
81.07061	39.9
83.04981	19.6
83.08627	26.6
85.06545	12.0
87.04468	9.0
89.06037	17.6
91.05482	57.5
91.15410	2.6
91.51138	2.9
93.06490	4.7
93.07049	70.6
94.07375	5.7
95.04960	27.3
95.08611	44.4
97.06537	29.2
97.10139	4.4
102.66100	2.7
103.05474	3.8
105.07039	100.0
106.07276	2.9
107.08606	92.5
108.08895	4.1
109.06522	19.6
109.10157	34.4
111.08054	9.8
113.06003	2.6
113.09666	7.1
115.05449	9.6
116.06247	3.1
117.07011	28.1
117.09169	3.1
119.08594	86.7
120.08879	2.7
121.06529	19.3
121.10148	72.0
122.10510	3.6
123.08070	33.8
123.11697	8.9
125.09615	17.5
128.06194	14.8
129.07021	29.2
130.07861	13.4
131.08585	53.8
132.09096	3.7
133.06493	4.0
133.08624	6.6
133.10144	47.8
135.08067	18.9
135.11691	9.5
137.09602	9.5
139.11198	16.1
141.06992	12.0
142.07796	35.7
143.08572	56.7
144.09380	16.2
144.64418	2.8
145.06500	7.6
145.10127	82.3
146.07281	5.2
146.10680	3.3
147.08055	17.0
147.11713	24.7
149.09625	21.4
151.07532	7.7
153.06973	7.3
153.12721	4.3
154.07759	4.7
155.08578	27.0
155.10643	20.0
156.09352	26.6
157.10143	78.6
158.10794	12.5
159.08066	25.5
159.11700	51.0
160.08820	6.6
161.09610	18.2
161.13272	8.3
163.11188	9.3
165.06999	7.6
165.09146	7.4
166.07791	4.6
167.08595	14.9
167.10690	33.9
168.09270	9.8
168.10861	3.0
169.10109	39.1
170.10904	14.2
171.11687	47.3
172.08855	4.4
172.12328	6.7
173.09625	14.4
173.13229	29.0
175.11185	17.1
175.14807	10.2
177.11208	6.1
177.12697	4.2
178.07803	4.2
179.08575	15.4
179.10672	3.4
180.09303	9.2
181.10124	23.6
181.12219	15.2
182.11040	12.8
182.12492	4.2
183.11714	33.9
184.12308	8.4
185.09618	6.8
185.13235	30.3
186.13895	4.7
187.11165	8.4
187.14839	10.1
189.12744	8.7
190.13345	4.5
191.14378	5.5
192.09288	6.1
192.65939	3.2
193.10165	19.3
193.11981	3.7
194.10936	13.2
195.11702	31.3
196.12450	13.7
197.13232	34.5
198.13855	5.7
199.11133	9.1
199.14816	17.4
201.12776	6.3
201.16370	4.0
203.14291	13.1
205.10159	2.9
206.10837	7.9
207.11691	21.6
207.13626	5.5
208.12424	16.1
209.09622	3.2
209.13324	27.1
209.15211	5.7
210.13904	12.1
211.11197	5.2
211.14793	23.0
213.12732	14.7
213.16438	4.8
215.14221	13.5
217.10213	3.3
217.15904	7.8
218.10941	4.3
218.16637	4.8
219.11758	6.6
219.13724	5.1
220.12425	6.9
221.13283	18.5
221.15399	32.5
222.13919	6.2
222.15881	4.9
223.11229	4.0
223.14850	23.3
224.15494	5.6
225.12761	9.2
225.16374	9.9
227.14305	8.7
229.15868	5.8
231.11694	7.5
231.13928	3.0
232.12523	5.8
233.13177	8.6
233.15410	35.2
234.13914	4.2
234.16031	8.1
235.14796	14.8
236.15390	3.3
237.12698	3.9
237.16357	11.8
239.17932	5.7
239.90134	2.8
241.15977	3.6
245.13159	7.9
246.14038	6.7
246.16249	4.3
247.14722	7.5
247.16977	7.0
249.12762	4.0
249.16348	9.6
250.16808	4.8
251.18048	4.5
253.15730	5.6
253.19591	4.6
255.17473	37.9
259.14825	4.9
260.15430	3.7
261.16415	10.7
262.16965	2.9
263.17920	10.8
265.15909	3.3
265.19583	4.9
267.17432	4.2
268.18237	7.6
269.19040	11.1
270.19724	9.0
271.20251	3.6
272.15387	3.8
273.16119	5.2
273.18695	6.3
275.17883	4.8
277.19382	5.6
281.18976	8.5
283.20642	5.5
285.18723	6.2
286.19040	4.5
287.17450	3.9
287.20251	4.0
289.19586	7.4
295.20502	4.5
297.18805	4.0
299.20166	13.2
300.20847	3.8
301.21762	3.1
309.18521	4.0
311.20270	5.2
312.20670	3.3
315.21188	3.2
325.21527	4.0
347.23584	5.4
360.24310	3.6
365.24768	9.8
383.25769	10.9
522.10803	3.0
567.38196	4.0
582.40070	9.9
600.41412	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74029	2.6
51.02359	2.6
53.03947	8.5
55.01870	3.7
55.05518	29.0
57.07088	16.8
59.04982	4.6
65.03917	4.4
67.05518	32.9
69.03429	17.6
69.07069	24.0
69.33288	23.3
71.04986	11.6
77.03933	4.6
79.05500	36.1
80.05849	3.9
80.06274	2.7
81.07061	39.9
83.04981	19.6
83.08627	26.6
85.06545	12.0
87.04468	9.0
89.06037	17.6
91.05482	57.5
91.15410	2.6
91.51138	2.9
93.06490	4.7
93.07049	70.6
94.07375	5.7
95.04960	27.3
95.08611	44.4
97.06537	29.2
97.10139	4.4
102.66100	2.7
103.05474	3.8
105.07039	100.0
106.07276	2.9
107.08606	92.5
108.08895	4.1
109.06522	19.6
109.10157	34.4
111.08054	9.8
113.06003	2.6
113.09666	7.1
115.05449	9.6
116.06247	3.1
117.07011	28.1
117.09169	3.1
119.08594	86.7
120.08879	2.7
121.06529	19.3
121.10148	72.0
122.10510	3.6
123.08070	33.8
123.11697	8.9
125.09615	17.5
128.06194	14.8
129.07021	29.2
130.07861	13.4
131.08585	53.8
132.09096	3.7
133.06493	4.0
133.08624	6.6
133.10144	47.8
135.08067	18.9
135.11691	9.5
137.09602	9.5
139.11198	16.1
141.06992	12.0
142.07796	35.7
143.08572	56.7
144.09380	16.2
144.64418	2.8
145.06500	7.6
145.10127	82.3
146.07281	5.2
146.10680	3.3
147.08055	17.0
147.11713	24.7
149.09625	21.4
151.07532	7.7
153.06973	7.3
153.12721	4.3
154.07759	4.7
155.08578	27.0
155.10643	20.0
156.09352	26.6
157.10143	78.6
158.10794	12.5
159.08066	25.5
159.11700	51.0
160.08820	6.6
161.09610	18.2
161.13272	8.3
163.11188	9.3
165.06999	7.6
165.09146	7.4
166.07791	4.6
167.08595	14.9
167.10690	33.9
168.09270	9.8
168.10861	3.0
169.10109	39.1
170.10904	14.2
171.11687	47.3
172.08855	4.4
172.12328	6.7
173.09625	14.4
173.13229	29.0
175.11185	17.1
175.14807	10.2
177.11208	6.1
177.12697	4.2
178.07803	4.2
179.08575	15.4
179.10672	3.4
180.09303	9.2
181.10124	23.6
181.12219	15.2
182.11040	12.8
182.12492	4.2
183.11714	33.9
184.12308	8.4
185.09618	6.8
185.13235	30.3
186.13895	4.7
187.11165	8.4
187.14839	10.1
189.12744	8.7
190.13345	4.5
191.14378	5.5
192.09288	6.1
192.65939	3.2
193.10165	19.3
193.11981	3.7
194.10936	13.2
195.11702	31.3
196.12450	13.7
197.13232	34.5
198.13855	5.7
199.11133	9.1
199.14816	17.4
201.12776	6.3
201.16370	4.0
203.14291	13.1
205.10159	2.9
206.10837	7.9
207.11691	21.6
207.13626	5.5
208.12424	16.1
209.09622	3.2
209.13324	27.1
209.15211	5.7
210.13904	12.1
211.11197	5.2
211.14793	23.0
213.12732	14.7
213.16438	4.8
215.14221	13.5
217.10213	3.3
217.15904	7.8
218.10941	4.3
218.16637	4.8
219.11758	6.6
219.13724	5.1
220.12425	6.9
221.13283	18.5
221.15399	32.5
222.13919	6.2
222.15881	4.9
223.11229	4.0
223.14850	23.3
224.15494	5.6
225.12761	9.2
225.16374	9.9
227.14305	8.7
229.15868	5.8
231.11694	7.5
231.13928	3.0
232.12523	5.8
233.13177	8.6
233.15410	35.2
234.13914	4.2
234.16031	8.1
235.14796	14.8
236.15390	3.3
237.12698	3.9
237.16357	11.8
239.17932	5.7
239.90134	2.8
241.15977	3.6
245.13159	7.9
246.14038	6.7
246.16249	4.3
247.14722	7.5
247.16977	7.0
249.12762	4.0
249.16348	9.6
250.16808	4.8
251.18048	4.5
253.15730	5.6
253.19591	4.6
255.17473	37.9
259.14825	4.9
260.15430	3.7
261.16415	10.7
262.16965	2.9
263.17920	10.8
265.15909	3.3
265.19583	4.9
267.17432	4.2
268.18237	7.6
269.19040	11.1
270.19724	9.0
271.20251	3.6
272.15387	3.8
273.16119	5.2
273.18695	6.3
275.17883	4.8
277.19382	5.6
281.18976	8.5
283.20642	5.5
285.18723	6.2
286.19040	4.5
287.17450	3.9
287.20251	4.0
289.19586	7.4
295.20502	4.5
297.18805	4.0
299.20166	13.2
300.20847	3.8
301.21762	3.1
309.18521	4.0
311.20270	5.2
312.20670	3.3
315.21188	3.2
325.21527	4.0
347.23584	5.4
360.24310	3.6
365.24768	9.8
383.25769	10.9
522.10803	3.0
567.38196	4.0
582.40070	9.9
600.41412	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74029	2.6
51.02359	2.6
53.03947	8.5
55.01870	3.7
55.05518	29.0
57.07088	16.8
59.04982	4.6
65.03917	4.4
67.05518	32.9
69.03429	17.6
69.07069	24.0
69.33288	23.3
71.04986	11.6
77.03933	4.6
79.05500	36.1
80.05849	3.9
80.06274	2.7
81.07061	39.9
83.04981	19.6
83.08627	26.6
85.06545	12.0
87.04468	9.0
89.06037	17.6
91.05482	57.5
91.15410	2.6
91.51138	2.9
93.06490	4.7
93.07049	70.6
94.07375	5.7
95.04960	27.3
95.08611	44.4
97.06537	29.2
97.10139	4.4
102.66100	2.7
103.05474	3.8
105.07039	100.0
106.07276	2.9
107.08606	92.5
108.08895	4.1
109.06522	19.6
109.10157	34.4
111.08054	9.8
113.06003	2.6
113.09666	7.1
115.05449	9.6
116.06247	3.1
117.07011	28.1
117.09169	3.1
119.08594	86.7
120.08879	2.7
121.06529	19.3
121.10148	72.0
122.10510	3.6
123.08070	33.8
123.11697	8.9
125.09615	17.5
128.06194	14.8
129.07021	29.2
130.07861	13.4
131.08585	53.8
132.09096	3.7
133.06493	4.0
133.08624	6.6
133.10144	47.8
135.08067	18.9
135.11691	9.5
137.09602	9.5
139.11198	16.1
141.06992	12.0
142.07796	35.7
143.08572	56.7
144.09380	16.2
144.64418	2.8
145.06500	7.6
145.10127	82.3
146.07281	5.2
146.10680	3.3
147.08055	17.0
147.11713	24.7
149.09625	21.4
151.07532	7.7
153.06973	7.3
153.12721	4.3
154.07759	4.7
155.08578	27.0
155.10643	20.0
156.09352	26.6
157.10143	78.6
158.10794	12.5
159.08066	25.5
159.11700	51.0
160.08820	6.6
161.09610	18.2
161.13272	8.3
163.11188	9.3
165.06999	7.6
165.09146	7.4
166.07791	4.6
167.08595	14.9
167.10690	33.9
168.09270	9.8
168.10861	3.0
169.10109	39.1
170.10904	14.2
171.11687	47.3
172.08855	4.4
172.12328	6.7
173.09625	14.4
173.13229	29.0
175.11185	17.1
175.14807	10.2
177.11208	6.1
177.12697	4.2
178.07803	4.2
179.08575	15.4
179.10672	3.4
180.09303	9.2
181.10124	23.6
181.12219	15.2
182.11040	12.8
182.12492	4.2
183.11714	33.9
184.12308	8.4
185.09618	6.8
185.13235	30.3
186.13895	4.7
187.11165	8.4
187.14839	10.1
189.12744	8.7
190.13345	4.5
191.14378	5.5
192.09288	6.1
192.65939	3.2
193.10165	19.3
193.11981	3.7
194.10936	13.2
195.11702	31.3
196.12450	13.7
197.13232	34.5
198.13855	5.7
199.11133	9.1
199.14816	17.4
201.12776	6.3
201.16370	4.0
203.14291	13.1
205.10159	2.9
206.10837	7.9
207.11691	21.6
207.13626	5.5
208.12424	16.1
209.09622	3.2
209.13324	27.1
209.15211	5.7
210.13904	12.1
211.11197	5.2
211.14793	23.0
213.12732	14.7
213.16438	4.8
215.14221	13.5
217.10213	3.3
217.15904	7.8
218.10941	4.3
218.16637	4.8
219.11758	6.6
219.13724	5.1
220.12425	6.9
221.13283	18.5
221.15399	32.5
222.13919	6.2
222.15881	4.9
223.11229	4.0
223.14850	23.3
224.15494	5.6
225.12761	9.2
225.16374	9.9
227.14305	8.7
229.15868	5.8
231.11694	7.5
231.13928	3.0
232.12523	5.8
233.13177	8.6
233.15410	35.2
234.13914	4.2
234.16031	8.1
235.14796	14.8
236.15390	3.3
237.12698	3.9
237.16357	11.8
239.17932	5.7
239.90134	2.8
241.15977	3.6
245.13159	7.9
246.14038	6.7
246.16249	4.3
247.14722	7.5
247.16977	7.0
249.12762	4.0
249.16348	9.6
250.16808	4.8
251.18048	4.5
253.15730	5.6
253.19591	4.6
255.17473	37.9
259.14825	4.9
260.15430	3.7
261.16415	10.7
262.16965	2.9
263.17920	10.8
265.15909	3.3
265.19583	4.9
267.17432	4.2
268.18237	7.6
269.19040	11.1
270.19724	9.0
271.20251	3.6
272.15387	3.8
273.16119	5.2
273.18695	6.3
275.17883	4.8
277.19382	5.6
281.18976	8.5
283.20642	5.5
285.18723	6.2
286.19040	4.5
287.17450	3.9
287.20251	4.0
289.19586	7.4
295.20502	4.5
297.18805	4.0
299.20166	13.2
300.20847	3.8
301.21762	3.1
309.18521	4.0
311.20270	5.2
312.20670	3.3
315.21188	3.2
325.21527	4.0
347.23584	5.4
360.24310	3.6
365.24768	9.8
383.25769	10.9
522.10803	3.0
567.38196	4.0
582.40070	9.9
600.41412	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05505	5.4
57.03423	1.2
57.07080	16.1
59.05001	3.1
65.03939	3.4
67.05504	15.2
69.03430	9.1
69.07061	6.8
70.68979	2.7
70.69312	2.2
71.08624	2.2
79.05507	14.0
80.06278	1.8
81.07066	23.8
81.24451	1.2
83.04993	6.9
83.08627	3.1
84.24944	1.2
85.06538	5.6
87.04439	1.3
89.06026	4.3
91.05480	25.5
93.07043	35.3
94.07346	2.0
94.07858	1.5
95.04967	10.3
95.08608	23.5
97.06545	6.3
103.05465	2.0
105.04510	1.4
105.07037	50.4
106.07848	1.7
107.08602	22.7
109.06523	10.4
109.10160	7.4
111.04485	1.4
111.08076	2.7
115.05462	2.6
117.07027	14.0
119.04945	2.3
119.08589	60.9
120.09411	1.8
121.06493	7.8
121.10146	21.4
121.10944	2.2
122.07331	2.0
123.08093	15.7
123.11720	2.0
125.05995	12.1
125.09614	1.8
128.06250	4.1
129.07011	11.7
130.07796	3.6
131.08591	24.4
132.09369	3.0
133.06500	5.3
133.08607	3.7
133.10141	19.5
134.10828	2.2
135.08052	18.7
135.11702	5.8
137.06000	3.1
137.09631	15.1
141.07004	3.3
142.07797	10.5
143.08592	24.3
144.09354	6.6
145.06517	5.0
145.10129	37.7
146.10602	1.5
147.08067	26.1
147.11719	8.5
148.08517	2.9
149.09630	12.4
151.07529	11.3
151.11183	2.8
152.08092	1.4
153.07005	1.2
154.07829	1.2
155.08536	9.9
156.09380	7.6
157.10135	33.0
158.10855	4.8
159.08095	7.6
159.11707	24.2
160.08852	7.9
161.09610	11.2
161.13277	6.2
162.10313	2.3
163.11182	19.5
165.07079	2.2
165.09123	46.4
166.09444	2.2
167.08611	4.6
168.09366	3.9
169.10138	16.4
170.10905	5.6
171.08113	2.7
171.11710	18.1
172.08875	1.8
172.12502	4.3
173.09625	9.9
173.13277	6.5
174.10435	2.4
175.07881	1.4
175.11191	20.7
177.09186	3.8
177.12787	3.1
178.09933	2.8
179.08585	4.5
179.14339	1.4
180.09340	1.6
180.11481	3.3
181.10234	8.1
181.12271	23.6
182.10857	5.5
182.12457	1.7
183.11700	16.8
184.12393	3.2
185.09685	5.3
185.13283	10.4
186.10352	1.6
186.13969	1.9
187.11198	5.5
187.14864	3.2
189.12785	8.1
190.13531	7.6
191.10683	4.9
191.14340	2.7
192.09338	1.5
193.10162	5.1
193.12274	14.7
194.10921	4.4
195.11787	10.6
195.13535	2.0
196.12424	4.4
197.13266	12.3
199.11217	8.0
199.14841	2.7
200.12013	1.6
201.12735	7.4
203.14296	15.4
205.12329	1.9
207.11728	7.7
207.13860	11.5
208.12473	4.1
208.14615	9.5
209.13277	10.6
209.15157	2.6
210.10483	1.6
210.13947	1.8
211.11241	3.9
211.14822	8.9
212.11871	1.5
212.15594	2.3
213.12851	5.4
213.16368	1.5
214.13350	1.7
215.10692	1.9
215.14421	3.6
217.12138	1.8
219.11829	2.5
219.13838	7.7
220.12457	2.4
221.13341	5.9
221.15364	100.0
222.15788	10.7
223.11230	2.2
223.14825	5.6
225.12724	5.3
225.16435	4.4
226.13576	1.7
227.14348	3.4
229.15996	2.6
231.13826	1.8
233.13268	3.3
233.15404	5.1
234.13890	2.6
234.16129	21.8
235.14861	2.9
235.17061	1.8
237.12778	4.4
239.14340	2.4
240.18689	2.4
241.15945	4.1
243.13971	2.1
245.13251	2.1
245.15544	1.9
247.14500	2.3
247.16960	30.0
248.17580	4.0
249.16527	1.8
251.14401	3.1
251.17793	2.1
253.15935	4.0
257.15359	1.9
259.17026	4.0
263.14099	1.4
263.18088	1.7
265.19424	2.8
267.17392	2.6
269.15421	2.7
269.19135	1.8
271.17017	3.7
273.18588	2.6
274.19354	12.9
279.17502	3.2
281.19138	3.2
283.17026	1.5
283.26462	2.0
285.18591	4.2
286.19296	5.6
287.20114	15.0
288.20700	1.6
297.18518	3.3
297.22000	1.5
298.19327	2.0
299.20096	18.8
300.20929	3.5
307.20630	2.7
309.18481	2.5
310.19250	2.1
311.20078	4.7
312.20895	8.9
313.21573	8.2
314.21793	1.4
325.21613	17.3
327.23206	2.9
337.21750	4.7
339.23215	4.5
340.24042	18.0
352.23990	30.4
365.24673	6.4
366.25519	4.6
377.24890	2.0
379.26584	4.2
387.25339	4.2
391.26401	4.6
392.27020	3.3
400.26270	2.8
413.27090	5.6
415.25510	1.7
419.29401	9.1
420.30243	3.3
425.26923	8.4
426.27740	5.5
427.28467	15.6
428.28784	2.0
440.29257	51.4
441.29715	2.2
442.31061	2.0
454.31076	2.6
494.34210	1.6
502.34070	1.5
505.33148	1.6
507.34940	3.8
508.35425	4.9
520.35553	43.3
521.36133	2.2
582.40546	4.3
585.39203	3.2
600.41559	48.2
600.56061	5.8
601.42902	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
54.33223	2.4
55.01866	2.2
55.05515	11.7
56.90789	2.2
57.07071	11.6
59.05018	4.6
61.27121	2.4
65.03934	5.2
67.05507	17.9
69.03442	11.5
69.07064	9.6
69.20267	23.8
70.49762	2.1
71.05003	4.2
78.68506	2.3
79.05505	26.3
80.06321	2.3
81.07057	35.4
83.04983	13.3
83.08618	5.2
85.06537	7.5
91.05482	42.2
93.07051	66.1
94.07864	2.6
95.04985	13.5
95.08059	3.2
95.08615	32.8
97.06528	6.6
98.21581	4.1
103.05485	5.0
104.06271	3.0
105.07039	83.9
107.04939	3.7
107.08600	49.9
108.05746	4.2
109.06535	20.2
109.10160	12.9
111.08111	4.3
113.09665	1.9
115.05431	5.3
116.06373	2.4
117.07021	18.1
119.04824	2.1
119.08591	67.2
120.09328	3.1
121.06528	16.8
121.10161	34.2
122.07317	3.8
123.08088	25.0
123.11718	4.2
125.05957	2.9
125.09631	8.5
128.06198	14.2
129.07011	23.3
130.07790	7.8
131.08582	38.6
132.09291	2.3
133.06479	6.9
133.07495	2.4
133.10138	35.7
135.08070	26.9
135.11713	12.2
137.09653	13.0
139.07501	2.7
139.11192	2.3
141.07011	10.5
142.07788	25.1
143.08575	48.3
144.09361	12.6
145.06482	4.3
145.10132	49.2
146.07253	3.3
147.08058	34.4
147.11713	13.2
148.08748	2.5
149.09665	20.6
149.13356	2.5
151.07568	14.3
151.11137	3.6
153.06924	2.9
154.07660	3.9
155.08568	16.0
155.10637	2.4
156.09369	20.8
157.10147	63.9
158.10887	9.2
159.08093	17.1
159.11719	27.9
160.08821	3.0
161.09634	20.9
161.13248	6.5
163.11174	18.3
165.06992	7.2
165.09119	49.0
167.08543	6.6
167.10674	15.0
168.09375	2.9
169.10133	25.3
170.10884	13.9
171.07974	3.4
171.11711	29.3
172.12419	7.4
173.09573	13.4
173.13255	12.6
174.10455	3.4
175.11218	22.4
175.14842	4.2
177.09189	3.0
177.12770	5.4
179.08580	8.8
179.10661	5.3
180.09285	5.9
180.11569	3.6
181.10150	14.8
181.12190	14.2
182.10887	7.4
183.08089	3.6
183.11732	21.1
184.12450	5.2
185.09627	8.3
185.13264	21.9
186.10468	3.2
186.14104	4.1
187.11169	7.3
189.12766	13.9
190.13559	11.3
191.10664	3.1
191.14293	6.5
192.09502	2.7
192.11375	2.7
193.10129	14.7
193.12257	8.5
194.10857	6.9
195.11700	20.8
195.13574	4.5
196.12483	5.6
197.11723	3.8
197.13255	21.8
198.10240	4.5
199.11157	8.6
199.14828	6.1
200.07559	2.5
201.12753	8.0
203.14313	27.5
205.10100	4.0
206.10896	4.6
207.11713	13.7
207.13820	16.2
208.12425	6.4
208.14590	10.7
209.09552	4.3
209.13315	18.1
209.15192	4.3
210.10471	2.7
210.14021	5.4
211.11212	4.9
211.14754	10.7
212.11780	2.9
212.15546	3.3
213.12772	9.5
213.16206	3.1
214.13313	3.1
215.10663	3.0
215.14384	6.0
217.15845	2.6
218.10857	2.3
219.11681	8.7
219.13695	4.2
220.12515	4.5
221.13258	13.3
221.15352	100.0
222.15947	2.9
223.11273	4.6
223.14746	12.7
225.12767	8.1
227.14326	7.9
229.12170	3.1
232.12434	2.8
233.13297	5.4
233.15370	23.3
234.14056	3.6
234.16135	14.2
235.14867	7.5
237.12714	6.3
237.14725	33.6
238.17171	3.0
239.14244	4.2
239.17932	4.9
241.15865	5.5
245.13237	4.5
247.14876	5.6
247.16985	10.6
248.14073	16.3
249.12868	2.7
249.16325	6.2
251.14270	3.4
253.15884	6.2
255.17450	19.9
257.15433	2.6
261.16431	5.4
263.18198	2.9
267.17422	3.2
268.18192	3.6
270.19846	8.2
271.17020	7.8
274.19376	17.4
277.15671	2.4
279.17572	6.5
281.18997	6.4
283.17447	2.9
285.18622	6.3
286.19360	16.3
287.19992	10.0
289.19711	2.9
294.19748	6.6
295.20749	3.4
297.18646	2.7
299.20267	15.4
303.19580	57.3
307.20624	2.8
309.18585	2.7
311.20050	5.0
312.20770	7.5
313.21701	16.2
325.21832	19.0
337.21646	10.0
352.23990	96.7
365.24860	22.3
366.25266	3.0
377.24582	7.9
383.25894	7.2
420.30258	4.2
437.09521	2.3
487.31750	5.6
498.87057	2.5
502.34552	12.4
503.34940	6.9
505.32785	5.4
507.34610	15.0
508.34857	9.4
520.35590	56.7
521.35687	4.3
567.38245	2.6
569.91724	2.5
582.40186	6.2
583.41791	2.4
585.39368	5.5
600.32227	2.9
600.41638	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.05520	12.5
56.82620	2.2
57.07077	15.0
58.06635	2.4
59.04995	6.1
67.05502	19.3
69.03418	9.6
69.07063	10.0
71.05010	4.0
71.26606	4.1
79.05493	19.6
81.07063	26.2
83.04977	8.8
83.08612	7.2
85.06549	7.0
89.06055	12.9
91.05481	43.7
91.66650	2.1
92.06278	3.7
93.07050	42.7
95.04971	12.0
95.08616	33.6
97.06528	12.9
97.10222	3.4
105.07034	58.7
106.07866	4.3
107.08603	30.2
109.06516	18.1
109.10177	12.2
111.08054	2.8
111.92017	2.5
115.05441	5.9
117.07045	21.6
119.08593	80.2
120.09428	3.3
121.06512	10.9
121.10154	31.0
122.07304	4.0
123.08076	22.2
123.11723	3.3
125.05995	11.2
125.09636	4.5
128.06236	8.2
129.07018	13.0
130.07791	4.0
131.08578	33.6
132.09314	3.2
133.06523	5.2
133.08588	6.4
133.10130	24.6
134.10934	3.7
135.08066	21.8
135.11723	13.6
136.08803	3.2
137.05972	3.0
137.09615	14.5
139.07550	3.3
139.11166	2.9
141.06947	6.8
142.07805	13.9
143.08588	31.6
144.09337	9.4
145.06432	4.9
145.10144	55.1
147.08047	32.7
147.11688	8.9
149.09669	17.2
150.10416	4.2
151.07486	13.9
151.11203	3.9
153.07007	2.9
155.08588	13.6
155.10602	4.1
156.09314	8.4
157.10152	45.0
158.10909	8.9
159.08076	11.1
159.11707	29.4
160.08873	6.0
160.12393	3.5
161.09612	13.9
161.13254	10.6
163.11212	23.6
165.09140	43.5
167.08539	3.4
168.09331	3.9
169.10126	17.2
170.10941	7.2
171.08023	3.3
171.11713	23.1
172.12448	4.2
173.09683	12.2
173.13254	16.0
175.11217	18.1
177.09079	5.3
177.12791	4.2
178.09879	2.9
179.08635	6.4
179.10588	3.2
180.09227	4.7
180.11511	3.3
181.10155	11.2
181.12221	21.8
182.10919	8.3
183.11726	18.0
184.12460	4.8
185.09651	6.8
185.13266	10.1
187.11194	9.2
187.14876	5.4
189.12733	10.5
189.16414	2.6
190.13461	13.5
191.10693	5.4
191.14334	4.5
193.10109	7.0
193.12276	15.4
194.10861	4.9
195.11684	11.9
196.12456	5.1
197.09567	2.8
197.13258	17.9
198.13850	3.1
199.11200	7.1
199.14902	3.4
201.12743	9.8
203.14325	22.5
205.10146	2.6
207.11758	6.8
207.13818	11.4
208.12605	5.8
208.14577	8.9
209.09662	3.1
209.13286	10.1
209.15172	2.4
210.13867	2.6
211.11238	3.5
211.14705	13.6
213.12775	8.9
213.16278	3.8
216.15314	2.6
219.11896	4.1
219.13867	8.8
220.12541	5.0
221.13376	7.7
221.15381	100.0
222.10390	2.6
222.15707	5.8
223.14832	7.2
224.15852	3.1
225.12779	4.8
225.16415	4.1
227.14252	2.8
229.15959	2.8
231.11794	3.9
231.13895	2.9
233.13286	4.2
233.15393	6.1
234.16165	18.8
235.14807	4.6
237.12698	5.7
237.16382	5.7
239.14374	3.1
241.15913	4.1
247.14626	2.1
247.16959	32.6
248.17578	3.9
249.16312	5.7
251.14302	3.1
251.18001	5.1
253.15782	3.8
259.16953	8.1
260.17715	2.8
269.18967	2.7
271.17001	6.1
273.18726	2.7
274.19305	10.9
279.17383	3.2
281.18921	3.7
283.26328	7.6
286.19272	4.5
287.20258	12.7
297.18530	7.8
299.20142	21.2
300.21030	3.5
300.29037	4.1
307.20468	4.1
310.19318	3.1
311.20181	4.8
312.20770	9.8
313.21600	10.3
325.21619	17.1
327.23328	4.8
337.21292	4.2
339.23114	7.2
339.28979	2.5
340.24084	18.6
352.23987	45.7
365.24741	8.2
366.25525	4.5
377.24704	4.5
379.26505	6.9
387.25229	3.1
391.26309	4.5
392.27069	4.3
400.25916	2.7
413.26733	8.1
419.29443	8.5
420.30231	5.9
425.26913	6.9
426.27792	6.4
427.28604	18.2
440.23459	4.5
440.29224	63.8
442.30994	3.4
454.30536	4.2
507.34705	3.3
508.34805	6.6
520.35522	47.6
521.35547	2.7
585.38458	2.9
600.41620	40.0
600.55524	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52251	2.1
53.03944	5.1
55.01863	5.1
55.05513	22.8
57.03449	2.5
57.07082	14.7
57.07300	2.5
59.05001	6.5
65.03938	5.3
67.05511	25.5
69.03437	21.0
69.07060	22.3
69.22867	24.2
70.06597	38.7
71.05002	5.6
71.94922	2.9
79.05493	36.2
81.03423	3.3
81.06590	3.2
81.07056	41.4
83.04979	18.1
83.08615	10.2
85.06551	13.5
89.06033	2.7
91.05488	67.5
93.07046	77.1
95.04956	31.0
95.08604	47.2
97.06534	15.9
103.05479	7.1
103.24251	2.3
105.07033	99.0
107.04926	5.1
107.08601	72.7
109.06521	22.7
109.10163	25.1
111.08051	4.2
113.51865	2.3
115.05473	8.5
116.06300	4.6
116.07085	54.0
117.07010	30.8
119.04986	2.6
119.08587	87.1
120.08938	2.2
120.09376	2.7
121.06521	14.7
121.10149	56.9
123.08063	37.0
123.11675	6.0
125.05984	7.3
125.09590	9.1
128.06212	17.1
129.07010	27.1
130.07790	10.4
131.08578	54.7
132.09294	3.8
133.06506	8.3
133.10133	53.2
135.08058	27.3
135.11719	16.1
135.93100	2.4
137.05968	4.4
137.09605	16.8
139.07463	2.7
139.11195	5.9
141.06917	13.7
142.07794	31.7
143.08554	63.3
144.09370	14.8
145.06497	6.3
145.10132	71.3
147.08061	37.5
147.09195	2.2
147.11690	18.8
148.08832	4.8
149.09616	31.6
151.07564	20.9
153.07010	4.5
153.09070	3.0
154.07765	3.3
155.08557	24.6
155.10643	4.3
156.09372	22.9
157.10136	82.4
158.10980	12.5
159.08067	23.8
159.11707	44.8
160.08815	4.6
161.09625	23.6
161.13245	9.8
162.10298	4.7
163.11234	15.4
165.06999	7.3
165.09102	48.4
167.08556	10.9
167.10667	20.5
168.09309	8.1
168.10944	3.2
169.10132	33.4
170.10881	17.6
171.07970	3.3
171.11693	42.9
172.08899	2.8
172.12288	7.9
173.09648	15.3
173.13231	22.7
174.10355	3.8
175.11198	28.7
175.14801	5.2
177.09062	5.5
177.12720	6.9
179.08566	12.7
179.10617	4.0
180.09312	7.3
180.11476	2.8
181.10107	19.2
181.12195	16.3
182.10896	8.9
183.11667	29.9
184.12430	8.2
185.09648	7.3
185.13258	26.8
186.13858	4.6
187.11255	14.9
187.14783	9.0
189.12759	14.7
190.13498	12.9
191.14299	4.6
192.09302	7.3
193.10132	16.7
193.12222	8.4
194.10928	10.3
195.11716	29.7
196.12386	11.1
197.09645	8.4
197.13295	23.3
198.10358	3.6
198.13791	4.2
199.11169	10.8
199.14853	14.7
201.12766	10.8
203.14348	27.6
205.10170	4.8
205.12106	4.4
206.10904	5.4
207.11688	21.0
207.13800	17.4
208.12396	8.7
208.14519	8.0
209.13278	22.3
209.15225	4.5
210.10381	2.9
210.13835	6.8
211.11111	5.9
211.14893	14.8
213.12735	13.8
213.16272	6.3
215.14323	7.3
217.12253	4.5
217.15906	4.4
219.11758	6.2
219.13806	6.7
220.12531	7.6
221.13255	14.5
221.15331	99.3
222.13875	5.4
222.15842	5.3
223.11140	5.2
223.14822	13.8
225.12729	9.7
225.16364	9.7
226.13382	2.8
227.14313	7.6
229.15919	5.2
231.11676	5.7
231.13748	3.3
232.12477	4.6
233.13243	8.4
233.15363	26.9
234.13872	5.7
234.16048	14.7
235.14790	10.1
236.15602	3.7
237.12675	10.3
237.14670	41.4
239.14354	8.6
241.15895	5.1
243.13869	5.9
245.13283	6.0
246.13924	5.8
247.14734	8.6
247.17026	10.8
248.13850	14.4
249.16374	8.6
251.14198	3.0
251.18156	3.9
253.15834	7.7
255.17464	24.0
257.13162	3.3
257.19186	3.5
259.14737	6.8
259.17169	4.2
260.15240	4.0
261.16336	8.0
263.18170	5.6
265.19678	5.1
267.17322	4.8
268.18274	4.3
269.18857	3.2
270.19897	9.0
271.17078	6.0
273.18723	6.0
274.19287	9.8
277.15756	3.9
279.17584	5.4
281.19006	9.4
283.20425	2.7
285.18539	9.7
286.19345	15.0
287.20105	12.9
293.18942	4.0
294.19724	4.7
295.20264	5.2
297.18579	4.3
299.20190	17.9
303.19559	56.6
312.20779	6.1
313.21671	13.4
319.20685	3.5
325.21744	17.4
333.22122	2.8
337.21579	10.4
352.23975	100.0
358.44943	3.1
364.24091	3.5
365.24765	24.8
377.24744	8.2
378.25491	3.3
383.25696	8.3
414.27655	3.6
420.30212	5.8
428.28860	2.6
454.30688	4.4
490.33960	3.2
502.34293	15.1
503.34863	6.0
505.33386	5.1
507.34653	17.6
508.34946	11.5
520.35571	57.2
567.37427	5.5
582.40912	3.4
583.41425	5.3
585.39050	3.5
600.41528	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01878	1.4
55.05512	6.2
57.07079	9.7
59.05003	3.2
65.03962	1.4
67.05511	10.0
69.03427	6.9
69.07066	5.3
69.94736	2.4
69.95132	3.2
71.26089	1.3
79.05499	12.6
80.06259	1.4
81.07061	17.1
81.07476	1.9
83.04993	4.9
83.08624	2.3
85.06554	5.7
89.06042	1.8
91.05485	25.1
92.06267	3.2
93.07053	29.5
95.04966	7.9
95.08612	19.5
97.06524	6.1
97.96676	1.1
98.20785	1.5
100.06957	1.2
103.05468	1.5
105.07036	45.0
106.07835	2.0
107.04974	1.5
107.08607	18.1
109.06528	12.8
109.10165	7.3
111.08098	2.0
115.05452	1.7
116.06285	1.8
117.07014	11.3
119.08588	54.7
120.09386	3.5
121.06516	6.7
121.10154	20.4
121.10973	1.2
122.10529	1.1
123.08089	13.6
123.11732	1.6
124.08406	1.5
125.05999	11.2
128.06264	2.8
129.07050	7.8
131.08575	21.5
132.09317	3.6
133.06496	4.7
133.10143	22.6
133.11104	2.0
134.10910	1.4
135.08058	17.5
135.11729	5.8
137.05969	1.8
137.09618	13.8
139.07547	2.1
141.07021	3.3
142.07791	7.6
143.08568	18.6
144.09366	6.5
145.06531	2.4
145.10138	37.5
146.07352	1.4
146.10669	1.1
147.08054	28.2
147.09232	1.4
147.11705	5.8
148.08807	3.7
149.09644	11.0
151.07533	12.4
152.08310	1.2
154.07822	1.4
155.08521	9.9
156.09349	7.7
157.10130	30.2
157.11319	2.1
158.10777	4.9
159.08078	8.0
159.11697	22.4
160.08917	1.8
160.12453	2.8
161.09598	9.5
161.13225	6.5
163.11200	19.9
165.07062	1.8
165.09114	43.0
166.07980	1.7
166.09465	4.0
167.08545	3.4
168.09387	1.5
169.10155	14.0
170.10988	5.8
171.08086	3.5
171.11702	12.4
172.12433	5.1
173.09660	8.8
173.13223	7.4
174.10384	2.0
175.11183	17.6
177.09167	2.6
177.12761	2.1
178.09964	3.0
179.08601	3.2
180.09311	1.5
180.11516	3.0
181.10158	8.1
181.12228	19.6
182.10945	3.7
183.08115	1.4
183.11700	12.8
184.12482	2.6
185.09651	5.0
185.13283	7.6
187.11093	5.8
187.14896	2.8
188.11990	2.0
189.12712	7.8
190.13509	8.5
191.10696	6.1
192.09375	1.7
192.11334	1.5
193.10152	4.2
193.12294	10.1
194.10971	2.3
195.11742	8.9
195.13597	2.1
196.12427	3.6
197.09709	1.6
197.13275	12.9
198.10434	1.6
198.14011	2.0
199.11221	4.6
199.14769	1.5
201.12787	6.0
203.10661	1.6
203.14340	21.0
204.14772	2.4
205.12181	2.2
206.10901	1.4
206.12914	1.5
207.11714	6.3
207.13852	10.5
208.12660	2.1
208.14508	8.0
209.13354	7.7
209.15193	1.7
210.10396	1.6
211.11301	3.5
211.14827	8.7
212.11920	1.9
212.15475	2.5
213.12781	3.2
215.14362	2.8
216.15121	3.0
219.11848	2.2
219.13812	6.1
220.12448	2.0
221.13380	3.9
221.15373	100.0
222.13922	1.8
222.15768	9.2
223.11229	1.8
223.14874	3.9
225.12807	4.2
225.16400	3.4
227.14299	3.3
229.12320	1.5
229.15889	1.5
231.14046	1.5
233.13321	2.6
233.15378	2.7
234.13885	1.9
234.16158	22.8
235.14879	2.5
235.17001	1.5
237.12791	3.6
237.16458	2.3
239.14372	2.8
240.18829	1.8
241.15945	4.8
243.13818	2.7
245.15408	2.0
247.14557	2.4
247.16954	26.8
248.17696	4.1
249.16281	1.8
251.14346	2.0
253.15938	3.4
259.17038	5.6
260.17776	2.6
261.18765	1.9
265.15805	2.1
266.16739	1.4
269.15778	1.5
271.16974	2.7
273.18610	1.8
274.19308	13.1
279.17435	1.9
281.19034	3.6
285.18503	3.5
286.19348	4.1
287.20087	10.9
288.20538	1.3
297.18570	2.3
298.19318	2.1
299.20090	19.4
300.20721	3.7
307.20563	2.6
310.19403	1.9
311.20059	5.5
312.20886	11.8
313.21564	7.9
314.22168	1.5
323.20169	1.4
325.21692	14.4
326.22406	1.5
327.23257	5.0
333.22485	1.8
337.21680	4.4
339.23178	8.4
340.24030	20.1
351.23395	1.5
352.23999	29.4
353.24799	2.2
365.24622	7.3
366.25610	4.1
377.24591	1.9
379.26337	4.0
387.25342	4.9
391.26379	4.4
392.27036	4.1
400.26096	3.7
402.28134	1.5
413.26907	7.6
419.29306	7.5
420.30203	5.1
425.26956	7.4
426.27725	4.3
427.28497	21.9
428.29263	1.7
439.28607	1.6
440.29236	56.3
440.35361	2.8
442.30920	3.2
454.30905	2.9
505.33026	1.8
507.35190	3.0
508.35519	6.8
520.35529	47.3
521.36371	1.7
582.40674	2.0
585.39404	3.8
600.41522	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.38531	1.6
54.47206	2.1
55.05516	22.4
56.07837	1.7
57.03433	4.4
57.07082	11.2
57.49749	1.6
67.05508	61.9
69.07071	31.6
69.86552	4.1
69.86966	7.6
71.05004	19.1
71.08618	4.5
74.58522	1.9
77.31949	1.6
79.05493	18.6
81.07061	83.4
83.08616	25.2
85.06538	7.5
89.06030	5.4
91.05486	16.1
93.06494	2.4
93.07049	20.4
95.04967	2.6
95.08620	29.5
97.06518	4.1
97.10176	13.3
98.21523	2.3
105.07019	8.1
107.08604	14.9
109.10152	15.8
111.08041	2.1
111.11732	4.1
117.06991	3.9
119.08578	2.2
121.10149	13.8
123.11727	11.6
131.08592	2.6
133.08592	4.2
133.10149	11.1
135.11693	6.4
139.11166	1.7
149.13261	5.5
151.11195	6.0
159.11690	3.6
187.13255	4.1
221.15353	2.1
265.25308	2.8
269.17462	3.3
279.15427	1.7
301.20120	18.7
339.28958	41.4
377.88693	2.1
494.54172	1.9
507.40482	100.0
533.42047	6.3
565.44604	60.3
600.50220	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05513	4.8
57.07080	7.9
59.04998	3.1
65.03943	1.5
67.05507	9.3
69.03435	7.1
69.03748	1.4
69.07079	5.4
71.24063	1.7
71.24403	0.9
74.38394	0.8
79.05498	8.9
81.03421	1.8
81.07068	14.5
82.07376	0.8
83.04993	2.6
83.08618	2.7
85.06532	2.4
91.05485	20.9
92.05788	1.0
93.06474	1.9
93.07050	25.4
94.07341	1.0
95.04980	5.6
95.08620	17.0
97.06529	3.0
103.05444	2.1
105.04521	1.0
105.06322	1.5
105.07035	32.3
106.07349	2.0
107.08606	15.8
109.06520	8.8
109.10156	8.1
111.08083	2.7
115.05485	1.8
117.07025	7.5
119.08586	35.5
120.08917	1.2
121.06513	4.5
121.10166	16.1
123.08084	12.4
123.11752	2.0
124.08374	1.2
125.06000	5.2
128.06206	2.6
129.07021	7.3
129.59583	0.9
130.07773	2.7
131.08582	15.8
132.09338	1.4
133.06477	2.3
133.10138	18.4
135.08060	12.2
135.11710	6.1
136.08452	1.2
137.06082	1.2
137.09619	12.7
139.07567	1.0
139.11290	1.0
141.06999	1.9
142.07794	4.8
143.08568	12.0
144.09267	3.1
145.10132	25.6
146.10532	1.5
147.08054	19.3
147.11679	5.2
148.08430	2.0
149.09612	5.4
149.13243	1.1
150.10063	0.9
151.07535	10.5
153.06963	0.9
153.09161	1.4
155.08519	4.5
156.09361	3.6
157.10149	16.8
158.10735	2.2
159.08066	1.5
159.11705	15.6
160.12093	1.0
161.09590	4.2
161.13275	6.4
163.11211	8.7
164.11577	1.7
165.09131	45.8
165.12701	1.1
166.09509	2.7
167.08556	3.5
167.10838	1.2
168.09338	1.8
169.10136	8.9
170.10909	3.8
171.11736	9.3
172.12384	1.6
173.09653	2.9
173.13255	6.2
174.10043	1.6
174.13705	1.1
175.11157	5.5
175.14868	4.1
176.11581	1.3
177.09085	2.4
177.12836	1.3
179.08607	3.3
181.10220	4.9
181.12241	10.6
182.10933	3.9
182.12466	1.2
183.11693	8.6
184.12257	2.2
185.09644	1.3
185.13251	7.6
187.11192	2.6
187.14853	4.1
189.12759	3.8
190.13307	1.7
191.10774	1.5
191.14227	2.2
193.10147	2.2
193.12227	1.9
194.10852	1.9
195.11758	6.3
195.13426	1.2
196.12450	2.2
197.13268	6.4
198.13748	1.1
199.11287	2.1
201.12782	3.5
201.16475	1.0
203.14326	15.3
204.14709	2.0
207.11859	1.7
207.13860	7.5
208.12512	1.1
208.14549	2.1
209.13290	6.5
209.15204	1.6
210.13992	1.7
211.14851	4.4
212.15475	1.2
213.12828	1.3
213.16380	2.2
215.14397	1.7
217.15753	1.3
219.11752	1.2
219.13805	1.6
221.15373	100.0
222.13835	1.3
222.15756	10.5
223.11247	1.2
223.14902	2.9
225.12752	1.6
225.16388	1.7
227.14366	2.0
233.13268	1.2
233.15437	1.7
234.16197	3.5
235.14873	2.6
235.16840	1.4
237.16341	1.4
239.17880	1.4
247.14795	1.4
247.16924	5.8
248.17345	2.7
261.16107	1.0
263.17935	1.3
265.19571	1.7
267.17456	1.3
271.17004	1.1
272.17517	1.0
274.19421	1.8
275.20227	1.1
283.20706	1.9
285.18668	1.7
286.19287	2.7
287.20102	6.3
288.20712	1.6
295.20645	1.0
297.22070	1.6
299.20102	4.3
300.20605	4.8
301.21664	4.0
311.19949	1.5
312.20798	2.1
313.21558	2.8
325.21622	2.0
326.22119	2.8
339.23248	1.1
340.23810	3.4
341.24384	3.7
349.25449	1.6
351.23090	1.5
352.24072	3.6
353.24399	5.9
365.24908	1.3
366.25528	1.3
367.26312	6.6
375.27051	2.0
378.25482	1.3
393.27789	3.1
403.30206	1.1
420.29858	1.5
421.30566	1.6
426.27423	2.6
427.28662	2.1
428.29303	2.1
440.29230	3.6
441.29626	9.7
491.35403	9.7
509.36075	4.1
520.35614	1.3
521.35962	11.4
565.40454	2.1
583.41309	12.2
601.42444	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05511	4.2
57.07080	9.3
59.05001	2.5
65.03936	1.5
67.05505	10.9
68.79360	1.2
69.03441	6.3
69.07069	4.3
69.18355	2.8
69.18771	8.3
79.05497	11.5
81.07066	15.2
82.10116	1.0
83.04977	4.1
83.08636	1.9
85.06561	4.7
88.72176	1.0
91.05499	16.1
92.05821	1.3
93.07059	29.7
94.07423	1.9
95.05000	6.0
95.08616	14.3
97.06553	3.4
103.05479	1.1
105.04568	1.2
105.07038	33.2
106.07320	1.6
107.08620	14.9
109.06550	8.7
109.10158	7.9
110.06933	1.2
111.08101	1.8
117.07051	8.1
119.08596	36.6
120.08942	3.5
121.06531	4.8
121.10152	16.7
123.08092	12.9
123.11713	1.6
125.06029	3.6
128.06239	1.8
129.07051	6.9
130.07806	2.3
131.08592	15.6
132.09042	1.4
133.06502	1.5
133.10141	15.4
135.08075	10.8
135.11725	7.2
137.09636	12.9
141.07039	1.5
142.07761	6.0
143.08568	11.5
144.09314	3.8
145.10149	28.1
146.10545	1.8
147.08060	22.2
147.11708	5.9
148.08383	1.7
149.09653	5.0
150.10036	1.2
151.07552	11.4
155.08607	4.2
156.09412	5.4
157.10146	17.8
158.10715	2.5
159.08093	2.3
159.11739	15.4
160.12102	1.4
161.09663	4.9
161.13313	5.6
163.11191	9.3
164.11601	1.4
165.09137	47.1
166.09439	3.4
167.08577	2.0
169.10136	7.3
170.10898	3.9
171.11731	11.1
172.12405	2.0
173.09654	2.4
173.13245	6.2
175.11235	4.5
175.14856	4.6
176.11563	1.5
177.12639	1.6
179.08551	1.7
179.10733	1.2
181.10126	3.9
181.12292	8.4
182.10880	2.8
183.11687	7.9
184.12283	1.9
185.09691	1.4
185.13239	7.0
186.13763	1.4
187.11200	2.0
187.14870	5.2
188.15233	1.6
189.12804	3.6
190.13310	1.1
191.10786	2.0
191.14297	2.6
193.10228	3.0
193.12231	2.6
194.10909	1.8
195.11696	5.7
196.12497	1.7
197.13237	7.7
198.13765	2.1
199.11208	2.0
199.14908	1.9
200.11771	1.2
201.12769	2.8
203.14346	16.4
204.14761	1.4
205.15878	1.5
207.11726	2.9
207.13869	6.4
208.12456	1.9
208.14401	2.4
209.13242	5.0
209.15218	2.2
210.13879	1.7
211.14813	4.3
213.12846	1.8
213.16479	1.4
215.14325	2.2
216.14917	1.1
219.11899	1.6
219.13930	1.3
221.13354	4.9
221.15382	100.0
222.15741	9.1
223.14786	2.7
225.16325	1.8
231.13739	1.9
232.12605	1.5
233.13304	1.9
233.15425	2.0
234.14056	1.3
234.16199	3.2
235.14647	1.5
235.16689	2.4
237.12843	1.4
237.16351	1.2
239.14406	1.6
241.12241	1.4
241.15594	1.5
247.17017	6.3
248.17397	2.5
265.19592	1.7
271.17120	1.8
272.17471	1.6
274.19272	2.7
275.19986	1.9
283.20645	2.2
286.19400	3.2
287.20200	5.7
288.20447	1.6
299.20166	4.0
300.20572	5.9
301.21658	3.2
311.20169	1.7
312.20822	2.8
313.21576	2.6
314.22034	1.3
325.21707	1.6
326.22125	1.9
340.23877	3.0
341.24380	2.0
352.24063	4.0
353.24493	4.5
367.26273	6.9
375.27084	1.6
377.24988	1.4
378.25873	1.4
380.26962	1.4
393.27872	2.3
399.28738	1.7
420.30075	1.9
427.28424	2.3
428.28775	3.0
440.29346	4.4
441.29666	12.5
455.31720	1.3
491.35089	9.5
509.36090	4.4
521.35864	14.2
583.41504	12.6
601.42163	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89562	2.7
52.47818	2.7
55.05504	12.8
57.07077	8.9
67.05511	17.3
69.03429	6.0
69.07057	9.0
69.14613	2.6
69.50958	2.7
69.80901	15.0
79.05492	13.5
81.07068	25.5
83.04980	4.6
83.08611	6.7
85.06544	3.6
89.03695	3.4
89.06038	5.9
91.05489	28.7
93.07047	34.8
95.04996	4.1
95.08616	22.7
97.06577	3.3
97.13517	2.8
105.06406	3.8
105.07041	46.6
107.08603	23.3
109.06510	11.5
109.10153	15.8
111.08106	3.9
117.07033	10.9
119.08588	45.0
121.06544	5.2
121.10159	28.2
123.08071	17.1
123.11678	3.6
125.06006	4.0
128.06215	3.0
129.07068	5.6
131.08568	18.1
133.06549	3.7
133.08557	3.5
133.10146	24.4
135.08066	12.4
135.11700	7.8
137.09634	17.1
139.07574	3.3
142.07784	8.9
143.08569	18.6
144.09389	4.7
145.10144	30.4
147.08073	19.5
147.11700	7.9
149.09622	6.3
151.07581	14.3
152.81841	2.9
155.08585	5.6
156.09367	5.1
157.10117	17.9
159.11693	17.4
161.09605	6.6
161.13248	6.4
163.11195	7.8
165.09129	58.1
166.09430	3.3
167.08649	4.5
168.09325	3.7
169.10106	11.1
171.11681	11.0
173.13216	4.7
175.11220	4.3
175.14828	4.9
181.10097	6.5
181.12274	12.3
182.11034	4.3
183.11711	13.1
185.13277	11.0
187.11133	4.4
187.14909	5.9
189.12767	4.8
193.10149	5.7
195.11636	8.1
196.12306	3.4
197.13226	3.3
203.14386	15.6
207.11772	3.8
207.13765	7.2
209.13287	7.8
209.15233	4.4
211.14828	4.2
213.16370	3.1
221.15379	100.0
222.15761	7.3
223.14774	5.0
269.18954	3.1
286.19376	4.5
287.20074	7.0
297.22223	3.3
300.20868	4.2
301.21521	6.8
311.19913	3.0
367.26065	6.3
441.29681	4.5
491.35342	13.9
509.36096	6.9
513.43317	3.3
521.35730	5.6
581.36066	3.6
583.41772	15.1
601.42621	59.3
601.51788	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01870	3.1
55.05511	22.8
57.07062	8.3
65.03939	5.0
67.05508	25.7
69.03433	15.5
69.07067	22.9
69.17496	21.8
71.05003	5.2
79.05495	35.7
81.07058	40.7
83.04996	19.9
83.08629	13.9
85.06544	5.7
87.04469	4.9
91.05487	61.0
92.05822	3.5
93.07047	76.0
94.07384	3.2
95.04971	24.0
95.08621	34.2
97.06535	13.1
97.10184	2.4
103.05473	3.8
105.04536	3.4
105.07036	100.0
106.07366	3.7
107.04969	3.7
107.07880	4.6
107.08598	76.5
109.06492	15.0
109.10158	38.5
111.08090	6.4
113.09656	3.2
115.05460	10.2
117.07033	24.2
119.06154	2.6
119.08592	89.2
120.08889	5.1
121.06528	14.4
121.10152	77.3
122.10506	3.2
123.08076	18.5
123.11729	7.9
125.05979	3.0
125.09628	15.4
128.06230	16.5
129.07036	18.5
130.07774	8.1
131.08585	48.9
132.08949	2.8
133.06537	4.3
133.10139	67.9
135.08070	17.5
135.11723	19.1
137.09607	7.8
139.11172	8.8
141.07022	8.2
142.07796	21.5
143.08577	44.9
144.09271	10.2
145.06496	5.7
145.10129	75.8
146.10500	3.6
147.08066	10.0
147.11696	20.2
149.09607	19.7
149.13293	4.4
151.07561	4.6
151.11221	5.2
153.07028	5.6
154.07730	2.7
155.08594	19.5
155.10649	7.4
156.09363	20.2
157.10141	57.5
158.10785	8.1
159.08058	12.1
159.11691	37.3
160.08713	2.5
161.09627	15.6
161.13281	11.3
163.11203	7.2
165.06972	6.1
165.09135	11.2
166.07782	5.5
167.08620	12.0
167.10684	69.4
168.09306	5.0
169.10129	27.0
170.10847	7.8
171.11711	33.6
172.12224	6.0
173.09688	7.0
173.13281	31.9
175.11180	13.9
175.14836	14.7
179.08563	12.7
180.09256	9.8
181.10129	18.1
181.12192	7.1
182.10822	10.3
183.11725	27.9
184.12288	8.2
185.09689	5.0
185.13269	17.6
186.13791	2.8
187.11177	6.5
187.14845	10.9
189.12708	7.2
189.16443	2.6
191.14326	6.6
192.09395	5.7
193.10144	13.4
194.10893	5.3
195.11674	25.7
196.12296	8.0
197.13248	25.3
198.13780	4.8
199.11188	6.7
199.14830	17.2
201.12711	5.1
201.16396	5.0
203.14290	7.2
205.10085	2.7
206.10912	6.6
207.11775	13.7
207.13651	4.3
208.12483	4.2
209.13309	28.9
209.15205	4.6
210.13847	5.3
211.11119	3.8
211.14851	16.6
212.15399	3.8
213.12799	6.3
213.16251	5.3
215.14301	9.9
216.14632	2.7
217.15883	5.5
219.11752	6.4
219.17322	2.6
221.13272	16.4
221.15440	20.2
222.13857	5.9
223.14786	15.6
223.16736	2.7
224.15381	4.2
225.12827	5.2
225.16437	7.2
226.16957	3.7
227.14316	4.6
228.14789	3.0
229.15736	3.7
231.11694	3.1
232.12379	3.8
233.13208	7.7
233.15413	30.2
234.13800	4.7
234.15955	4.2
235.14775	8.0
237.12732	3.1
237.16377	9.2
239.14362	4.2
241.15886	2.9
241.19440	3.6
245.13173	3.6
246.13901	3.0
247.14813	7.5
247.17110	4.0
249.16371	10.3
249.30698	3.0
250.16928	3.0
251.18031	4.7
253.15997	4.3
255.17502	6.0
256.17908	8.2
259.14694	5.4
261.16479	8.0
262.16882	3.4
263.17966	7.7
265.19580	5.9
267.17365	2.8
269.19052	11.1
270.19345	3.2
273.16083	3.8
275.17798	5.4
277.19568	5.7
279.21060	3.3
281.18979	4.4
283.20569	7.0
285.18759	3.9
287.20120	3.0
289.19455	4.9
295.20374	4.1
297.22070	3.6
299.20132	6.3
301.21793	3.6
317.22525	4.9
329.22458	3.1
339.21106	3.5
343.23889	3.9
349.25555	4.8
377.24750	2.9
382.26285	2.6
565.40100	5.7
583.41345	8.3
601.42285	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.05514	20.1
57.03440	3.0
57.07064	9.2
59.05005	3.8
65.03938	6.4
67.05514	33.0
69.03432	14.0
69.07081	17.7
69.32693	20.9
71.04948	3.5
77.03876	3.4
79.05496	28.9
81.07059	42.7
83.04979	16.9
83.08609	12.0
85.06541	7.5
91.05482	56.2
92.05788	4.3
92.52407	3.0
93.06485	4.6
93.07047	68.8
94.07362	5.2
95.00508	2.8
95.04975	19.7
95.08607	38.5
97.06522	10.5
103.05497	6.7
105.07036	100.0
107.08601	75.5
108.04996	3.1
108.08923	4.1
109.06516	12.5
109.10179	28.2
110.57575	2.8
111.08031	4.8
113.09634	3.1
115.05430	8.3
117.07058	14.1
119.08584	98.4
120.08885	6.3
121.06495	13.3
121.09322	5.3
121.10146	69.7
123.08067	18.0
123.11718	8.1
124.08347	3.8
125.05955	4.4
125.09637	9.3
128.06190	11.1
129.07014	16.9
130.07770	4.3
131.08574	49.4
132.08897	4.5
133.10129	53.1
134.10411	3.8
135.08064	20.3
135.11697	18.9
137.06033	2.8
137.09596	13.3
141.06969	12.6
142.07776	25.9
143.08589	37.2
144.09218	11.2
145.06511	3.6
145.10126	68.0
146.10497	6.2
147.08047	22.4
147.11676	23.1
149.09592	17.9
151.07547	13.1
151.11211	4.5
153.06960	3.0
154.07719	4.4
155.08566	19.4
155.10599	5.6
156.09355	21.6
157.10139	60.8
158.07266	4.0
158.10629	9.3
159.08092	16.3
159.11708	38.0
160.12077	5.9
161.09615	14.1
161.13266	12.1
163.11183	11.5
165.07004	7.8
165.09131	28.3
166.09569	4.0
166.66110	3.1
167.08556	8.2
167.10680	38.9
168.09317	7.8
169.10129	32.5
170.10754	10.0
171.11696	35.8
172.12238	6.8
173.09642	9.1
173.13284	19.8
174.10378	3.6
175.11182	14.6
175.14838	11.1
177.09155	3.1
177.12741	3.4
179.08554	9.2
180.09294	6.5
181.10117	18.8
181.12230	9.8
182.10814	12.0
183.11728	25.5
184.12178	6.0
185.13284	21.9
187.11166	6.2
187.14752	9.1
189.12805	7.9
190.13429	6.2
191.08617	2.9
191.14236	7.3
193.10110	13.2
193.12112	4.8
194.10805	11.2
195.11697	22.9
196.12332	9.6
197.09621	3.0
197.13242	25.0
198.13582	4.5
199.11151	7.3
199.14816	15.7
201.12738	6.9
201.41019	3.2
203.14313	17.6
204.14664	4.7
205.10143	3.5
206.10881	9.7
207.11649	15.1
207.13846	9.2
208.12411	8.4
208.14334	3.4
209.13303	24.5
209.15173	5.2
210.13753	6.2
211.11169	6.5
211.14848	18.0
212.15315	4.8
213.12721	4.0
213.16350	4.5
215.14346	6.4
215.22137	3.0
217.15680	6.1
219.11667	4.3
221.13217	13.0
221.15356	58.0
222.13797	3.1
222.15717	13.0
223.14786	15.8
225.12811	4.7
225.16353	8.1
227.14336	4.5
233.13213	8.4
233.15369	19.7
234.13686	4.3
234.15942	5.3
235.14743	9.6
235.16835	4.0
236.15309	4.4
237.14665	6.6
237.16653	4.6
238.17035	4.9
241.15727	3.2
245.13159	5.9
246.14052	4.7
247.14706	6.7
247.16931	5.3
249.16441	7.3
251.18066	6.8
253.19341	3.5
255.17476	9.0
256.17847	6.6
261.16272	7.0
262.16937	4.6
263.17841	3.2
269.18939	8.3
273.16159	4.4
275.17694	7.2
277.19543	3.6
281.18942	5.1
283.20703	4.6
285.18463	3.7
286.19150	6.6
287.20081	5.6
289.19516	4.3
291.20886	3.9
295.20346	9.0
299.20059	4.8
300.20621	7.1
301.21835	7.0
303.19559	8.1
304.19901	8.6
311.20074	4.8
313.21454	3.2
314.22168	4.7
349.25024	6.5
352.24014	16.7
353.24429	28.2
359.23175	5.0
359.75018	3.3
361.25266	5.1
365.24768	4.5
366.25180	4.8
367.26169	3.9
375.26581	3.7
377.24707	3.5
503.34763	6.8
508.34894	6.7
518.64325	3.3
520.34906	4.5
521.35632	21.5
565.40515	7.0
583.41254	11.4
601.42444	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.05519	35.3
55.72294	3.6
57.07081	12.5
65.03938	6.4
67.05508	35.5
69.03425	13.6
69.07078	22.2
69.19641	40.8
71.04980	4.7
74.24487	3.9
79.05498	32.7
81.07056	56.1
83.04990	18.9
83.08615	44.9
85.06557	9.1
85.33200	3.9
91.05481	64.2
93.07047	62.7
95.04984	27.5
95.05477	4.4
95.08606	41.4
97.06535	14.8
103.05485	7.2
105.06328	5.3
105.07038	100.0
107.08596	73.2
109.06528	19.0
109.10166	39.5
111.08073	5.1
113.09617	8.3
115.05446	10.1
117.07036	21.3
119.08586	85.4
121.06533	10.1
121.10163	70.2
123.08074	18.0
123.11704	14.0
125.06067	5.0
125.09637	19.3
128.06265	10.6
129.07018	19.8
130.07788	9.7
131.08580	45.7
133.10123	60.8
135.08078	16.1
135.11697	20.1
137.09605	17.5
139.11209	10.3
141.07008	8.1
142.07788	17.9
143.08563	36.2
144.09352	6.9
145.10126	72.9
147.08105	10.4
147.11691	22.3
149.09618	18.6
151.11229	4.8
153.07104	5.3
153.89163	4.5
154.07780	5.7
155.08563	14.4
155.10635	5.5
156.09341	11.3
157.10143	57.6
158.10898	11.0
159.08066	8.2
159.11716	37.3
161.09637	15.8
161.13327	10.8
163.11235	13.4
165.06912	6.0
165.09116	4.4
166.07779	4.7
167.08591	10.1
167.10696	47.9
169.10110	29.7
170.10876	9.0
171.11687	37.4
173.09607	7.2
173.13264	30.5
175.11206	7.0
175.14838	15.6
178.07681	4.7
179.08574	11.6
181.10104	15.8
181.12248	18.1
182.10936	12.8
183.11732	19.8
185.13281	20.2
187.14760	7.4
191.14325	9.2
191.51091	4.1
192.09296	7.1
193.10260	7.6
194.10986	6.4
195.11674	22.0
195.13795	3.8
196.12462	10.1
197.13341	26.5
199.14813	16.0
201.16353	6.6
203.08691	5.2
203.14444	6.1
206.10880	9.5
207.11740	17.4
207.13710	5.7
208.12431	8.5
209.13257	23.4
211.14888	18.2
213.12778	5.1
213.16328	7.5
215.14482	7.8
217.15842	11.7
219.11755	6.9
220.12596	5.0
221.13258	16.6
221.15395	26.2
223.14867	19.6
225.14816	12.4
227.14204	6.0
229.16032	4.8
231.17482	6.5
233.13316	8.0
233.15363	33.8
235.14746	12.9
237.16371	7.1
247.14742	8.3
247.16968	5.4
251.18042	12.5
255.64330	5.5
261.16333	6.8
265.19293	5.7
269.18933	10.2
271.14807	4.5
277.19461	5.1
283.20599	10.8
289.19751	5.3
291.17526	5.7
295.20621	10.0
299.20068	6.1
301.21771	5.4
319.34042	5.0
343.24216	5.7
361.25305	6.5
415.29822	9.2
555.57025	4.8
565.40240	13.3
583.41327	19.8
601.42499	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95967	2.5
55.01869	7.1
55.05515	55.2
56.51772	2.8
57.03431	10.3
57.07079	14.6
67.05225	3.0
67.05505	32.1
69.07073	52.0
69.27335	16.5
69.27744	5.1
71.08627	7.0
72.68592	2.9
79.05502	31.3
81.07058	43.3
83.04966	6.0
83.08621	36.5
85.10196	3.7
89.06042	4.1
91.05491	54.1
93.07053	35.9
95.04971	7.2
95.08617	33.7
97.06523	4.1
97.10175	25.9
105.07037	45.2
107.04996	3.0
107.08587	18.2
109.06541	7.9
109.10155	12.0
111.08086	4.8
111.11716	4.7
115.05455	5.4
116.06279	3.4
117.07026	29.8
119.08597	35.7
121.06538	2.9
121.10159	19.2
122.55612	3.0
123.08051	9.4
123.11725	3.3
125.09657	4.4
128.06216	15.0
129.07021	18.5
130.07785	7.1
131.08574	59.0
133.06497	5.1
133.08647	3.2
133.10120	17.0
134.74550	2.8
135.08061	3.6
135.11749	5.9
137.05888	2.7
137.09647	6.2
138.18443	2.9
141.06987	7.2
142.07806	5.0
143.08572	58.7
145.10139	61.3
147.08051	7.3
147.11668	7.7
149.09599	4.3
149.13266	4.4
149.72917	3.5
151.07693	3.0
155.08554	7.3
156.09261	3.5
157.10176	14.8
159.11720	15.7
161.09673	6.8
161.13200	4.6
163.11157	3.1
165.09155	3.6
165.12823	5.3
167.08560	4.5
169.10118	13.7
171.11700	12.2
174.75557	2.8
175.11240	3.2
181.10104	10.3
183.11708	10.0
185.13396	4.2
187.11116	3.1
195.11684	15.8
209.13400	3.4
213.12776	2.9
221.15251	6.9
227.17906	7.0
237.16479	17.6
237.22250	7.4
241.14417	5.4
245.19147	4.3
255.17455	15.8
273.18542	41.6
291.19543	12.3
311.25806	100.0
329.21118	6.5
330.63306	3.2
347.22107	20.9
583.43640	37.9
601.43634	25.5
601.52026	6.7
606.32959	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	602.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01853	0.6
55.05500	0.6
57.03441	1.3
58.02953	0.3
61.02929	2.2
67.01845	0.4
67.05487	0.7
69.03094	0.4
69.03433	5.4
69.07048	0.7
69.58482	1.6
70.06596	0.5
71.04975	0.5
73.02896	0.8
74.92837	0.2
76.29917	0.3
77.42058	0.2
79.05502	1.2
81.03422	2.9
81.07063	6.1
83.01331	0.6
84.04522	1.2
85.02910	13.4
86.09684	0.3
87.04452	1.1
91.03938	1.0
91.05482	0.6
93.07014	0.4
94.02908	0.8
95.01330	0.4
95.04967	0.5
95.08601	0.5
96.04467	0.5
97.02899	5.6
99.04447	1.0
105.06989	0.4
105.14340	0.2
107.04991	0.2
107.08556	0.5
109.02891	2.1
110.02387	1.1
111.08086	0.3
113.02352	0.3
119.08611	0.4
121.10115	0.3
123.04414	1.3
127.03927	3.3
128.03429	0.4
131.04913	0.3
135.04385	0.3
135.08037	0.5
139.03876	1.0
140.03468	0.4
141.01814	0.4
145.04976	1.9
145.06125	0.3
147.04434	0.4
149.06001	0.5
151.03922	2.5
153.05380	0.2
155.03421	1.1
159.04356	0.5
163.03888	3.1
167.03387	1.0
167.07082	0.3
169.04971	6.7
173.09589	0.3
177.05415	1.5
177.09010	0.3
179.03395	9.0
181.04965	11.9
183.02902	0.8
185.04454	3.4
187.02473	0.3
187.03954	1.0
187.07561	1.1
191.03363	0.4
193.04947	0.6
194.04427	0.3
195.02911	0.2
195.06522	1.2
195.10167	0.3
197.04465	47.5
201.09134	0.5
205.04958	3.6
205.08626	1.6
209.04491	2.3
209.08086	1.4
211.05919	1.6
211.07716	0.6
213.03937	0.5
219.10167	0.6
221.14932	0.3
223.03893	0.5
223.06033	8.0
223.09483	2.0
229.08617	0.9
237.11102	0.3
247.09714	3.6
256.11801	3.3
257.10239	0.3
265.10712	100.0
266.11081	0.4
292.07178	0.3
293.07977	1.3
294.08423	1.2
335.12823	0.7
336.13132	1.5
347.09561	0.4
370.07672	2.4
370.44128	0.2
422.14542	0.3
427.16016	24.2
440.15500	5.2
519.11407	0.3
532.12811	2.9
602.20721	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01868	0.6
57.03424	1.5
59.83799	0.5
61.02917	2.1
69.03438	5.3
69.07079	0.7
70.06596	18.0
70.10902	2.1
71.01360	0.5
71.04999	0.6
73.02925	0.8
77.66854	0.5
79.05479	2.0
80.66001	0.5
81.03423	2.8
81.07069	6.3
83.01331	1.2
85.02911	13.2
86.09716	0.6
87.04463	0.9
91.03971	1.1
94.07351	0.7
97.02900	5.7
98.21428	0.9
99.04476	0.7
109.02902	1.1
113.06374	1.0
113.07137	15.2
114.05553	2.7
115.08709	4.8
116.07067	2.0
123.04400	2.1
123.28642	0.6
125.81377	0.5
127.03916	2.8
135.04440	0.5
139.03917	0.6
145.04959	2.0
147.04428	0.8
149.06018	0.6
151.03896	3.8
155.03464	1.1
159.07664	45.8
163.03905	3.6
169.04987	6.9
176.10316	53.0
177.05449	1.6
179.03403	10.5
181.04977	9.2
185.04506	1.0
187.03903	1.5
187.07568	1.7
191.03511	0.7
191.05147	0.7
193.04913	0.6
195.06546	1.6
197.04465	47.3
201.09088	1.4
204.39882	0.6
205.04993	3.2
205.08623	2.1
209.04436	2.0
209.08138	1.5
211.05914	0.9
211.07654	1.0
221.85593	0.5
223.05997	6.0
223.09694	2.1
229.08685	1.0
247.09557	3.4
249.87029	0.5
265.10724	100.0
266.11102	1.1
427.16077	5.7
468.76465	0.6
550.89923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55364	0.8
53.03936	1.2
55.05507	1.0
56.38003	1.0
57.03426	2.1
61.02922	3.9
67.05477	1.2
69.03427	4.4
69.07069	1.3
69.42679	2.7
69.43088	3.9
70.06596	22.6
71.05000	1.4
72.08132	1.1
73.02919	1.2
79.05500	1.3
81.03414	2.5
81.07059	7.2
84.04491	1.4
84.57984	0.8
85.02905	17.8
86.06100	1.0
86.09694	2.8
87.04459	0.9
93.07032	1.0
95.04982	1.1
96.04533	0.9
97.02897	4.9
99.04444	1.4
107.04913	1.3
107.08556	1.1
109.02889	2.0
113.07136	15.9
114.05545	2.4
115.08672	6.1
116.07123	3.1
123.04412	2.9
127.03914	2.5
130.04887	0.9
130.09659	0.8
139.03879	1.2
145.04968	2.1
147.04387	1.6
149.05980	0.9
149.90334	0.8
151.03879	4.0
152.94049	0.8
155.03375	1.2
159.07661	48.5
163.03915	3.5
167.07042	4.0
169.04984	6.6
176.10318	54.9
179.03391	11.0
181.04980	10.9
183.02948	1.3
187.03947	1.5
187.07562	1.7
195.06546	1.1
197.04462	58.2
204.79764	0.9
205.04979	3.8
205.08488	2.0
209.04446	3.3
211.06007	2.1
218.57088	0.9
223.06015	8.5
223.09599	2.1
229.08357	1.1
247.09637	3.3
265.10718	100.0
326.20984	1.4
386.64627	1.0
391.07440	1.0
427.16037	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	602.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36079	0.3
55.05485	0.5
57.06838	0.4
57.07078	5.3
58.06602	1.8
65.03937	0.8
67.02824	0.3
67.05473	0.7
69.03419	0.5
69.07068	0.5
69.29153	0.3
70.06598	17.1
70.92640	0.7
70.92980	0.4
71.08632	3.2
74.06078	0.5
79.05459	0.5
81.03416	0.4
81.07041	0.7
84.08134	0.3
85.02895	0.4
88.07639	20.7
93.07026	0.4
94.22382	0.3
96.96499	0.3
102.09190	13.2
105.03407	0.7
112.33860	0.3
128.32884	0.3
131.04938	0.8
139.03856	0.5
147.04417	0.8
149.02357	31.4
149.03419	1.5
150.23341	0.4
156.17480	0.9
175.03943	1.2
176.14345	1.7
177.05446	1.5
185.47945	0.3
193.04984	44.0
200.20111	48.4
201.20499	0.3
219.06560	1.2
225.05412	0.9
237.05284	0.7
237.07614	11.3
244.22737	0.8
259.80844	0.4
269.04498	1.6
286.18329	0.3
293.08014	0.5
297.04041	2.4
313.07132	2.0
325.26898	0.4
336.13452	0.5
341.06564	8.5
359.07590	6.0
385.09225	18.7
403.10315	0.5
417.66437	0.4
422.65518	0.4
429.11871	25.1
466.30957	0.4
540.25299	0.5
584.28381	2.0
602.29626	100.0
603.30072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01873	6.0
55.05505	2.4
57.03418	4.5
61.02918	2.9
62.41992	1.0
67.05511	6.1
68.99780	2.1
69.03427	10.0
69.07076	1.4
71.04984	2.9
71.52807	1.1
71.53174	1.4
73.02907	2.8
79.05478	3.2
81.03426	18.0
81.07062	7.4
83.04968	1.5
83.08607	1.5
85.02909	30.4
87.00832	12.6
87.04443	1.3
91.03923	1.6
91.05470	4.1
93.07026	4.5
95.04961	2.5
95.08586	2.1
97.02892	15.4
97.06518	2.3
97.10148	1.4
99.04437	6.8
105.01860	7.0
105.07037	2.7
107.04909	1.6
107.08635	1.9
109.02881	11.9
109.10130	1.5
117.01849	3.3
117.07021	2.0
119.08587	1.3
121.06490	3.5
123.04424	3.6
127.03925	18.8
129.01881	2.0
131.08543	1.6
133.10115	1.8
135.04399	2.0
141.07013	1.6
145.04964	11.2
145.06088	1.4
145.06557	1.3
145.10201	1.1
147.07985	1.8
151.40797	1.1
153.05328	1.2
159.02895	9.6
159.08026	2.4
161.05989	2.3
165.05424	5.8
167.03386	4.3
173.09558	1.6
187.07541	4.1
201.12708	1.6
203.10683	2.7
210.06796	1.8
211.07556	8.3
225.09160	2.1
227.07037	2.3
231.04872	2.2
239.07109	9.0
240.07938	1.6
241.08624	4.6
242.05756	3.7
248.08498	1.3
253.08603	3.8
255.06718	1.7
256.07306	54.9
257.08090	65.3
263.06982	2.3
264.07852	1.5
265.08481	1.5
266.05927	1.2
267.06586	4.5
267.10129	1.3
268.07190	2.8
269.08099	13.3
277.08627	6.1
279.06638	2.0
280.07211	3.9
281.08136	20.5
290.09384	3.0
293.08124	9.8
293.11377	2.0
294.08832	5.2
295.09647	13.3
299.09058	1.6
301.14105	1.6
309.14810	4.6
311.12833	13.6
319.13281	15.6
323.09067	1.7
335.13156	1.3
337.14355	94.2
355.15405	100.0
361.14493	1.3
365.10254	1.9
379.15515	7.2
397.16519	2.5
398.93707	1.5
445.16553	2.2
463.17111	1.4
494.53070	1.3
567.29443	1.5
585.30438	3.8
603.31549	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	603.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01868	5.2
55.05508	4.6
57.03434	6.1
61.02917	3.8
66.61971	1.4
67.05514	8.8
68.99784	2.3
69.03438	12.7
69.07043	1.8
70.64089	2.4
70.64460	2.9
71.04972	3.7
73.02917	3.4
79.05486	4.4
80.18355	1.1
81.03426	18.6
81.07065	11.4
83.04990	2.5
83.08614	4.1
85.02908	31.4
87.00844	13.1
91.05471	9.7
93.07048	5.8
95.04984	5.1
95.08607	3.5
97.02892	16.4
97.10201	2.0
99.04480	7.1
103.05462	1.3
104.87742	1.3
105.01862	4.9
105.07031	5.7
107.04970	2.8
107.08578	2.6
109.02897	12.0
109.10165	3.7
111.04457	1.8
115.05441	1.8
117.01882	1.7
117.07056	3.3
119.04922	1.7
119.08592	4.0
121.06518	4.8
121.10154	2.6
123.04402	3.6
123.08081	2.4
125.09598	2.0
127.03928	19.5
129.01897	2.1
129.07005	1.9
131.04929	3.0
131.08556	2.3
133.06432	1.9
133.10126	2.2
135.04440	2.4
143.68080	1.4
145.04977	8.1
145.06531	1.6
145.10144	2.3
147.04419	5.7
147.08112	2.1
147.11676	2.3
155.08549	1.8
159.02893	6.2
159.08009	2.1
161.06018	3.7
165.05498	5.0
165.06929	1.8
167.03423	4.7
171.08188	1.6
173.05962	3.5
173.09508	1.4
185.06036	1.5
187.07558	4.0
187.11212	1.8
189.05479	3.1
189.11333	1.4
193.12244	2.5
195.08099	1.5
201.09073	2.1
201.12764	3.7
210.06763	2.1
211.07639	7.1
225.09174	2.5
229.08578	1.9
239.07054	9.4
240.07890	2.3
241.08586	4.2
242.05798	2.9
253.08670	4.2
255.06549	2.7
256.07318	55.6
257.08093	68.6
263.07062	2.8
267.06570	4.6
267.10284	1.6
268.07193	3.0
269.08060	14.8
277.08630	5.7
279.06461	1.6
280.07260	4.6
281.08078	27.8
285.14767	1.9
290.09396	3.3
293.08057	9.3
293.11404	3.1
294.08789	4.1
295.09677	14.4
295.12936	2.2
296.10141	1.8
298.08511	1.5
299.09195	3.2
301.14316	6.3
304.38931	1.4
309.14825	6.9
311.12823	13.5
319.09824	2.3
319.13190	13.6
337.14359	92.1
338.14246	1.9
341.17490	1.9
355.15399	100.0
365.09952	1.8
375.18353	2.7
379.15494	7.1
383.39395	1.7
384.02704	1.5
397.16284	2.3
419.25983	1.9
445.16821	1.6
456.24225	3.9
463.17859	2.2
585.30872	9.2
603.31396	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.2
55.05516	54.8
57.03424	9.5
57.07084	40.5
67.05504	56.8
69.07067	47.9
71.08636	26.8
77.42531	5.1
79.05511	37.2
81.07062	59.4
83.04987	8.3
83.08607	31.7
85.06536	5.5
85.10175	16.3
88.25125	4.6
91.05474	71.7
93.07021	45.9
95.04983	8.1
95.08614	53.6
97.06532	8.1
97.10177	16.8
99.08091	8.2
103.05484	7.0
105.07034	49.5
105.98553	5.1
107.04955	6.5
107.08611	27.3
109.06518	6.9
109.10144	17.6
111.08115	8.4
115.05460	10.8
116.06274	6.9
117.07014	34.7
119.08615	36.7
121.06498	7.3
121.10129	15.3
123.08089	8.0
123.11692	7.6
125.09563	8.0
128.06253	26.0
129.06981	23.5
130.07771	11.5
131.08582	86.9
133.06482	5.8
133.10132	20.3
135.11691	6.8
140.89444	5.8
141.07022	10.7
142.07750	8.0
143.08566	89.6
145.09061	8.8
145.10146	100.0
145.11267	5.4
147.11702	15.1
149.09647	6.1
155.08527	6.3
157.10146	26.8
159.11667	17.6
161.09648	7.4
167.08545	5.9
169.10129	20.7
171.11691	24.2
175.11189	9.0
181.10147	16.1
183.11641	9.4
185.13268	5.9
195.11736	19.4
199.14824	8.2
227.18033	7.0
237.16325	28.4
245.18927	5.8
255.17459	19.6
273.18552	66.0
275.20041	19.2
293.21271	27.6
311.25858	16.7
313.27396	93.0
329.21149	6.9
347.22208	31.4
349.23593	7.4
491.37308	7.3
505.38748	22.8
585.45190	42.2
603.46008	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.4
55.01874	5.8
55.05511	23.9
57.03421	3.9
57.07063	7.9
59.48144	2.4
65.03945	5.9
67.05508	68.5
69.03426	32.5
69.07071	19.7
71.01340	2.6
71.04990	6.0
72.71849	2.6
73.02903	3.1
75.99451	2.3
77.03931	3.0
79.05500	53.8
81.03420	56.0
81.06592	5.5
81.07059	81.1
81.57484	2.4
83.04980	9.4
83.08611	10.9
85.02914	19.5
85.06542	4.8
87.04466	5.3
91.05487	57.2
93.07052	73.9
95.04956	11.1
95.08613	51.8
97.02909	29.6
97.06527	5.3
97.10146	5.6
98.20705	6.2
99.04461	10.2
99.08114	2.7
100.17333	2.3
100.69570	2.6
103.03970	3.6
105.04511	3.2
105.07045	39.3
107.03860	2.1
107.04933	6.0
107.08591	40.0
109.02901	17.7
109.06512	7.6
109.10169	28.3
111.04452	5.6
111.08012	4.1
115.03963	4.0
117.07034	20.9
119.04961	24.0
119.08578	37.6
121.06514	8.4
121.10156	32.8
123.08068	3.4
123.11694	11.3
127.03894	13.2
127.27008	2.5
128.06247	3.1
129.06999	11.7
131.08560	30.3
133.06493	6.0
133.10132	26.2
135.08054	6.0
135.11726	21.1
135.68022	2.5
137.09579	4.5
141.07002	6.0
142.07755	2.9
143.08543	13.8
145.04913	3.1
145.06538	2.6
145.10146	25.7
147.04416	100.0
147.11703	20.8
149.09644	3.3
149.13272	9.3
151.07637	3.1
155.08582	4.8
157.06526	3.1
157.10097	8.0
159.11713	22.0
161.09669	4.7
161.13264	12.8
163.07509	2.9
163.11177	5.7
163.14810	5.6
165.05516	5.9
165.09093	3.4
166.33420	2.6
167.08560	3.6
169.10164	8.4
171.11687	11.1
173.09653	3.1
173.13271	16.5
175.11215	4.7
175.14871	4.4
181.10025	2.6
183.11783	6.1
185.13242	8.6
187.11301	4.7
187.14821	7.5
195.11644	3.0
197.13248	2.9
199.14859	3.4
203.14424	3.4
209.15300	3.5
211.11089	3.7
211.14803	4.2
213.12761	4.6
221.15363	3.4
235.13167	3.0
243.21191	5.0
259.20572	8.0
261.22113	18.3
271.16916	3.8
273.22101	4.4
277.21643	8.8
283.20874	2.8
285.18610	3.6
285.22086	6.0
289.21573	7.0
291.23160	5.0
297.22205	2.4
301.21719	4.5
303.23187	13.6
309.22070	2.5
313.21576	3.0
315.23209	7.7
317.24637	3.1
319.22675	6.2
327.23047	5.1
341.24619	8.7
345.24121	5.4
351.23297	14.8
369.24249	29.1
387.25314	32.6
405.26410	26.9
423.27536	7.0
569.31244	3.1
604.42401	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	605.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.7
55.05506	0.5
56.82544	0.3
57.03442	1.6
61.02929	2.1
61.82613	0.3
63.52023	0.3
67.05489	0.3
69.03432	6.2
69.07036	0.5
70.06591	0.7
71.04993	0.9
71.52840	0.5
72.08138	0.4
73.02917	0.9
79.05487	1.1
81.03425	2.9
81.07056	4.1
83.01337	0.7
84.04523	0.5
84.08138	0.9
85.02908	15.4
86.09702	0.8
87.04450	0.9
91.03945	1.1
91.05447	0.3
92.06652	0.3
93.07039	0.5
95.04955	0.4
95.08610	0.7
97.02896	5.0
97.46928	0.3
99.04444	1.0
103.05393	0.3
104.72894	0.3
105.07018	0.3
107.04962	0.6
109.02881	1.5
115.03955	0.6
120.08123	0.9
121.06491	0.4
123.04404	1.3
123.08015	0.4
127.03919	3.0
133.04974	0.6
139.03912	0.7
145.04971	2.8
149.05910	0.4
151.03906	2.3
153.05492	0.3
155.03404	1.1
163.03911	2.8
167.03424	0.6
169.04965	4.7
177.05513	1.2
179.03416	6.6
181.04955	8.9
181.06548	0.6
183.02905	0.7
187.03877	0.7
187.07626	0.6
191.03462	0.4
193.04953	0.4
195.06520	0.7
197.04459	39.0
201.09103	0.8
205.04987	3.1
205.08540	1.3
209.04486	2.0
209.08131	1.1
211.06017	1.2
219.10080	0.9
223.06065	6.4
223.09538	2.0
229.08638	1.1
247.09637	3.1
265.10712	100.0
265.80545	0.3
266.11041	0.6
375.77652	0.3
416.11719	0.3
427.16034	21.1
605.31494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05527	3.8
57.03426	1.3
57.07077	5.1
58.67279	0.4
60.60751	0.5
60.89783	0.4
61.02927	0.8
64.55242	0.4
67.01875	0.5
69.03433	5.5
69.45153	2.3
69.45570	1.1
70.06602	0.6
71.05003	1.0
79.05488	0.8
81.03414	1.5
81.07046	0.9
82.60349	0.4
84.04509	2.9
85.02439	0.6
85.02917	7.7
86.09707	0.9
87.04488	0.7
87.08114	23.3
91.03934	0.6
91.05466	1.1
93.07047	0.5
97.02908	4.2
97.06522	1.5
99.04459	0.8
104.05370	0.6
109.02838	0.9
109.06541	0.4
111.08067	1.2
119.04931	0.8
120.52749	0.5
123.04385	0.5
123.08118	0.5
127.03943	3.1
130.05009	4.7
130.11754	0.4
137.05963	0.5
145.04961	1.9
147.04420	4.7
147.07651	6.7
162.87474	0.5
163.03868	0.5
165.05481	1.5
169.05005	1.2
175.03955	2.4
177.05428	0.7
177.95508	0.4
179.03387	0.8
181.04973	1.4
183.06570	0.6
193.04993	14.0
197.04462	8.1
209.04396	0.6
211.06030	100.0
212.06448	0.6
217.10751	1.3
223.06116	0.9
256.67642	0.5
265.10739	17.0
265.13565	0.9
267.12332	3.4
268.21774	0.5
297.13330	4.3
303.27539	0.5
361.02145	0.6
373.11316	17.0
427.16071	15.2
427.20901	0.4
459.18427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
53.42175	0.4
55.01882	0.5
55.05518	3.1
55.19326	0.4
57.03439	0.8
57.07082	4.5
58.51908	0.4
61.02919	0.9
67.01865	0.4
69.03149	0.3
69.03437	4.3
69.97705	0.5
69.98048	1.5
71.05007	0.7
79.05500	0.4
81.03405	1.7
81.07041	0.4
83.04979	0.4
84.04506	3.0
85.02435	0.5
85.02912	8.2
87.08113	23.1
91.03962	0.5
91.05476	1.0
93.07034	0.4
97.02898	3.0
97.06544	1.7
98.95239	0.3
99.04453	1.1
103.03922	0.4
109.02879	1.2
109.06499	0.4
111.08092	1.3
119.04928	1.2
123.85793	0.4
127.03941	2.8
127.45029	0.4
130.05025	3.7
137.06006	0.5
142.52310	0.3
145.02794	0.4
145.05005	1.8
147.04445	4.8
147.06601	0.5
147.07663	6.2
151.03906	0.6
155.03394	0.4
163.03798	0.4
165.05487	1.9
169.01186	0.4
169.04968	1.5
174.57385	0.3
175.03917	2.1
179.03413	1.0
181.04947	0.9
183.06474	0.6
193.04973	14.6
197.04463	7.2
199.09691	0.8
211.06023	100.0
212.06342	0.6
217.10722	1.3
223.06094	0.6
247.09474	0.4
265.10730	15.6
267.12234	2.9
297.13333	4.5
373.06583	0.7
373.11328	15.2
427.16016	15.6
459.18561	1.0
611.74377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72139	1.4
53.03940	5.5
55.05505	7.1
57.03428	2.3
65.03938	3.3
67.05514	21.6
69.03439	12.8
69.07066	6.2
69.81840	3.7
69.82243	6.3
71.04991	2.6
73.02927	1.9
76.77087	1.9
79.05497	21.4
81.03424	19.1
81.07065	21.9
82.89060	1.5
83.04980	3.6
83.08614	3.7
85.02906	10.3
85.06537	2.1
91.05480	32.5
93.07047	29.6
95.04969	2.3
95.08606	14.8
97.02901	10.3
97.06503	3.4
99.04470	3.8
105.07037	31.6
107.04948	2.4
107.08594	16.2
109.02889	7.7
109.10160	5.1
111.04443	5.1
115.03988	1.6
115.05456	3.9
117.07017	14.5
119.08590	25.8
121.02881	2.4
121.06526	2.9
121.10159	16.9
127.03925	4.0
128.06242	1.6
129.07010	9.8
131.08583	20.9
133.06450	3.1
133.10132	19.8
135.11697	14.4
139.03981	3.5
141.07037	5.0
142.07776	3.2
143.08571	10.8
145.05055	1.4
145.10141	23.0
147.08029	2.6
147.11707	20.1
149.02338	5.2
149.13284	8.9
150.13025	1.7
155.03442	2.1
155.08528	5.1
157.10143	6.4
159.11693	15.3
161.09648	2.4
161.13271	13.5
163.14848	4.4
167.03416	18.3
167.08560	4.5
169.05009	3.3
169.10152	5.8
171.11671	9.2
173.13322	12.8
175.14815	5.1
179.03441	3.2
181.04895	1.9
181.10156	3.6
183.11696	3.5
185.04469	100.0
185.13268	6.7
187.11131	1.7
187.14790	3.9
189.12672	2.8
197.04457	12.3
197.13190	2.8
199.14859	6.0
201.12857	1.9
206.42209	1.7
209.13206	2.9
211.14845	2.1
213.16533	2.1
227.05482	2.6
231.21169	2.1
239.17952	2.8
241.19627	8.9
257.19000	8.8
259.20621	18.6
265.10767	7.0
271.20578	2.7
275.20187	5.8
277.21893	1.8
283.20578	2.1
289.21768	2.0
301.21616	10.0
313.21695	3.1
319.22736	2.8
325.21637	2.2
337.21683	2.1
339.23297	2.5
349.21616	2.1
357.24509	2.2
367.22653	10.3
385.23761	16.0
401.23221	3.1
403.24780	26.5
421.25848	27.6
443.24252	5.0
558.83716	1.9
569.28345	2.0
605.29559	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	606.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78577	0.2
63.02354	0.4
66.10793	0.3
69.03433	7.8
70.06593	1.9
71.04999	0.3
71.53036	0.4
76.02237	0.4
79.05486	0.7
81.03404	0.4
81.07049	0.4
84.08139	0.7
85.02889	0.8
89.03925	4.1
91.05504	0.4
91.28043	0.3
91.28732	0.2
93.07037	0.4
97.02883	1.0
98.09686	0.5
99.04440	0.5
107.04971	1.4
108.08168	0.3
109.02895	0.7
117.03394	4.8
120.08126	0.9
127.03922	3.7
135.04420	13.5
139.03842	0.5
145.02853	10.5
147.04427	0.5
152.39464	0.3
155.03421	0.7
156.07693	0.3
163.03906	100.0
164.04353	0.5
169.04976	0.4
173.05969	0.7
179.03384	0.5
181.04915	1.3
189.05501	0.5
191.07004	1.6
197.04456	2.0
201.05511	0.4
203.06969	0.3
205.08620	0.4
209.08173	0.6
217.04987	0.6
222.11310	0.5
226.53426	0.3
233.08026	0.8
240.12321	5.2
247.06058	0.6
251.09164	0.8
259.14301	0.3
264.12314	0.9
269.14346	0.3
282.13367	29.2
307.08133	5.3
325.09213	10.4
444.18411	1.9
464.20496	0.3
539.59424	0.4
574.93011	0.4
606.21826	18.8
607.21906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01876	0.6
55.05517	3.3
57.03426	1.4
57.06836	0.4
57.07080	5.7
61.02919	0.9
68.66953	0.4
69.03440	4.9
69.32355	3.3
71.04993	1.0
73.02905	0.9
79.05491	0.7
81.03404	1.8
81.07053	1.0
85.02445	0.7
85.02915	7.9
87.08115	25.4
87.14084	0.4
91.03947	0.7
91.05489	1.0
93.07076	0.4
97.02899	3.0
97.06527	1.8
99.04453	1.4
103.03921	0.5
109.02889	0.9
109.06539	0.9
109.32081	0.4
111.08064	0.8
119.04934	1.1
123.04423	0.5
127.03942	3.1
137.05991	0.7
139.07460	0.4
145.04973	2.2
147.04434	5.1
147.65758	0.4
155.03311	0.5
163.58498	0.4
165.05499	1.5
169.05002	1.6
175.03871	1.9
179.03362	0.9
181.04929	0.8
183.06541	0.9
193.03542	0.4
193.04973	14.3
197.04469	7.8
211.06029	100.0
212.06287	0.7
217.10680	1.1
223.05954	0.6
247.09673	0.4
265.10745	17.3
267.12302	3.1
275.10181	0.4
297.13324	4.4
373.11334	17.0
383.51440	0.4
427.16043	16.4
589.10571	0.4
617.03259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01874	0.5
55.05516	3.6
57.03421	1.6
57.07084	4.7
61.02927	0.7
67.05497	0.5
69.03437	5.0
69.64333	0.3
69.97796	1.7
69.99626	0.4
71.04996	1.1
73.02927	0.6
79.05470	0.6
81.03401	1.7
81.07030	0.9
84.04486	0.5
85.02908	8.9
86.57426	0.4
87.08109	23.7
91.03966	0.6
91.05487	0.7
93.07014	0.7
97.02885	4.1
97.06525	1.9
98.20619	0.4
99.04431	1.2
109.02882	1.1
109.06508	0.9
111.08080	0.7
119.04942	1.2
123.08047	0.5
127.03922	2.8
130.04974	0.4
137.05962	0.6
140.10666	0.5
145.04953	2.1
147.04395	4.9
148.86530	0.4
151.03983	0.4
155.03346	0.5
163.03880	1.2
165.05478	1.4
169.04948	1.9
175.03922	2.4
177.05481	1.0
179.03412	1.2
181.04942	1.1
183.06500	0.5
193.04977	13.0
194.40982	0.4
197.04472	7.1
199.09663	0.8
205.05003	0.5
211.06020	100.0
212.06355	2.9
217.10776	1.4
223.05956	0.7
265.10712	16.4
266.11005	0.7
267.12283	3.6
297.13269	3.6
373.11313	17.7
374.11948	0.8
427.16010	15.7
428.16403	1.2
459.18552	1.4
510.77756	0.5
517.08331	0.4
606.21381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2558
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.39591	0.2
54.48533	0.2
62.80426	0.2
63.99647	0.2
67.05510	0.3
79.05482	0.2
81.07050	0.3
91.05466	0.3
93.07041	0.3
95.08610	0.3
105.07027	0.3
131.08604	0.2
163.48326	0.2
185.04497	1.1
221.10826	0.3
251.11771	0.3
263.11963	0.3
326.13031	0.3
350.84277	0.2
374.15195	0.3
375.15961	0.6
377.17831	0.3
387.16367	0.6
388.16763	1.0
389.17761	2.6
390.18484	0.6
391.19193	1.1
401.17871	0.6
402.14182	0.4
402.18744	0.9
403.19504	4.1
404.20178	1.7
405.20731	2.9
406.21506	0.4
416.16513	1.0
417.16464	4.2
417.21164	1.1
418.17468	0.8
418.21625	1.0
419.22552	6.1
420.23120	0.9
429.16812	0.5
430.18005	0.9
431.18332	7.1
432.19296	3.4
433.20261	3.4
435.22253	0.3
443.18665	0.6
444.19531	0.4
445.20218	5.3
446.21048	7.3
447.21762	8.1
447.27716	0.4
448.23315	0.4
449.19626	0.3
457.19852	0.3
459.17801	1.1
459.22198	1.1
460.18994	0.7
461.19574	2.1
462.24341	0.7
463.20898	0.4
463.25522	0.4
473.23654	1.0
474.20447	5.5
475.21106	4.7
476.22012	0.6
477.22931	0.9
478.23602	1.0
487.21423	1.7
488.22308	0.5
489.23288	0.3
490.23874	0.6
491.20261	3.2
501.22906	1.1
503.24872	0.5
504.21918	0.3
505.22183	1.0
506.23294	0.6
507.22598	0.2
519.24109	17.4
520.24286	0.6
532.21252	0.3
533.22113	0.4
547.23444	14.4
548.23688	0.4
551.26544	0.3
561.25336	0.7
570.47644	0.3
579.26074	6.1
589.24677	0.3
607.25555	100.0
608.25903	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.09723	0.3
62.03235	0.3
73.40507	0.3
77.77579	0.2
98.21519	0.5
209.10762	0.3
218.13243	0.3
389.17596	0.6
401.18631	0.3
403.19330	1.2
404.20032	0.5
405.20856	0.8
415.19012	0.4
416.19958	0.4
417.21616	2.0
418.21744	1.0
419.22357	2.3
431.18140	4.0
432.19580	1.1
433.24005	4.2
434.24808	0.5
444.23596	0.3
445.19821	4.8
446.20563	2.0
447.21686	1.9
458.21057	0.3
459.21405	2.0
460.22516	5.2
461.23364	5.3
473.23633	1.1
477.22833	0.4
487.24890	0.8
492.25513	0.3
505.22281	0.8
505.26395	0.3
515.24561	0.3
519.23938	0.6
532.24603	0.3
533.25958	0.4
547.27051	15.0
548.27496	0.4
575.26385	0.4
578.25439	0.3
607.29156	100.0
608.29370	1.9
611.72015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72478	0.3
70.76937	0.5
70.77277	0.4
83.87833	0.3
93.53372	0.3
103.07176	0.3
104.22452	0.3
119.73605	0.3
154.80249	0.3
388.16919	0.5
389.17642	0.8
390.18619	0.4
395.37457	0.3
401.18060	0.5
402.18622	0.9
403.19290	2.8
404.20016	1.1
405.20703	1.6
415.19244	1.1
416.19955	1.2
417.15866	0.5
417.21237	4.2
418.21652	2.3
419.22318	2.7
430.17130	0.6
430.22156	0.5
431.18069	6.8
431.23578	0.7
432.19321	1.3
432.24237	0.4
433.24045	9.7
434.24554	1.0
443.18121	0.4
444.19296	0.5
445.19846	9.2
446.20804	3.7
447.21548	3.5
457.20380	0.3
459.21542	4.9
460.22604	10.5
461.23358	13.0
473.23584	2.9
474.24292	0.9
477.22791	0.8
487.24966	1.2
488.25800	0.6
489.22711	0.4
490.23511	0.4
491.24704	0.6
492.25284	0.7
504.25464	0.5
505.21835	1.6
506.26443	0.8
515.24365	1.0
518.22748	0.5
519.24542	1.0
519.27344	1.3
532.24615	1.0
533.25311	0.4
547.27094	45.5
548.27625	0.8
575.26544	1.1
579.29730	0.9
607.29187	100.0
608.29120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15758	0.3
51.02370	0.6
53.03747	0.3
53.03943	4.0
55.01873	2.0
55.05513	8.1
57.03438	2.4
57.07062	1.3
61.02920	0.6
65.03938	2.2
67.05505	25.5
69.03431	14.4
69.07071	6.2
71.01359	0.5
71.05000	2.7
71.08619	0.3
73.02902	0.9
77.03882	0.6
79.05494	22.9
81.03419	25.2
81.07056	26.5
83.01361	0.4
83.04987	3.6
83.08630	3.2
85.02905	8.6
85.06522	0.7
87.04449	0.8
91.05482	15.5
93.03412	0.5
93.07045	24.1
95.01333	0.4
95.04975	3.3
95.08607	21.9
97.02895	13.1
97.06525	1.8
97.10165	1.5
99.04462	3.1
99.08084	1.0
103.03927	1.0
103.05457	0.7
105.04509	0.7
105.07035	13.5
107.04949	1.1
107.07872	0.7
107.08597	12.9
109.02882	7.0
109.06542	1.6
109.10156	10.3
111.04448	3.2
111.08084	1.1
115.03927	0.7
115.05455	0.4
117.07017	7.1
119.07722	0.4
119.08582	10.2
121.02863	2.6
121.06493	1.0
121.10152	12.3
123.04412	0.8
123.08060	1.4
123.11710	4.1
125.02351	0.5
125.05982	0.4
125.09605	0.4
127.03915	4.5
128.06207	0.8
129.05440	1.1
129.07005	3.3
130.07776	0.4
131.04892	0.4
131.08568	9.1
133.06525	0.9
133.10133	7.7
135.08052	1.2
135.11693	8.8
136.01573	1.1
137.09581	1.0
137.13239	1.0
139.03108	0.3
139.03929	3.3
139.11172	0.6
141.06987	0.8
142.07791	0.7
143.03410	1.0
143.08551	2.8
145.04999	2.0
145.06476	1.3
145.09042	0.7
145.10123	7.5
147.08054	1.0
147.11687	6.5
149.01173	0.4
149.02354	6.0
149.09598	1.4
149.13229	4.9
151.07619	0.5
151.11139	0.6
151.14716	0.3
155.08528	1.4
156.09328	0.3
157.06465	0.6
157.10103	3.2
159.08130	0.8
159.11688	6.7
161.06007	0.5
161.09694	0.6
161.13245	4.3
163.07541	0.4
163.11159	1.0
163.14807	2.2
165.09131	0.4
167.03407	18.3
167.08566	0.4
169.10124	1.3
171.08037	0.7
171.11685	2.3
173.09669	0.7
173.13260	5.6
175.11194	1.2
175.14835	1.9
177.12723	0.9
177.16397	0.9
179.10791	0.4
179.14281	0.6
181.04961	0.6
181.10124	0.8
183.11707	1.2
185.04456	100.0
185.13240	2.2
187.11127	0.7
187.14735	1.8
189.12749	0.8
191.14308	0.4
193.10176	0.5
193.12100	0.4
195.11778	0.6
195.13676	0.3
197.04448	1.2
197.09630	0.4
197.13275	1.4
199.11183	0.7
199.14821	1.3
200.82018	0.4
201.12779	0.7
201.16373	0.7
203.10590	0.4
207.11821	0.4
209.04478	3.2
209.13304	0.6
211.11201	0.4
211.14830	0.6
213.12775	0.8
213.16409	0.6
215.14435	0.7
215.17957	0.4
217.12289	0.3
219.17244	0.4
223.14960	0.6
227.05479	2.8
227.14398	0.5
231.21219	0.5
233.04474	0.5
233.22615	0.4
235.13222	0.9
239.14293	0.3
241.19603	0.8
243.21043	2.3
249.01338	0.4
251.05605	1.5
253.19467	0.5
255.17599	0.5
257.15433	0.4
257.18863	0.4
259.20551	2.0
261.22150	8.7
271.20715	0.4
273.18805	0.4
273.22211	0.9
275.05463	1.4
277.14285	0.7
277.21664	1.7
279.12173	0.5
285.22089	0.7
289.21622	1.2
291.23203	1.2
293.06552	1.1
297.22165	0.6
301.21609	0.8
303.23172	2.8
313.21698	0.7
315.23077	1.7
319.22717	0.9
327.23123	0.8
341.24805	1.4
345.24454	0.6
351.23166	1.8
357.24460	0.4
369.24222	3.5
387.25262	3.3
405.26407	4.1
443.32047	0.4
497.80029	0.4
607.43292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
54.29742	0.7
55.01867	3.3
55.05268	1.3
55.05517	16.9
57.03450	5.0
57.07069	1.4
65.03936	3.2
67.05515	51.3
69.03438	12.5
69.06736	1.0
69.07079	15.9
69.81577	0.7
71.01354	0.8
71.05005	5.2
73.02921	0.8
79.05504	34.3
81.03431	44.7
81.07069	65.6
83.04993	12.5
83.08632	12.0
85.02927	6.4
85.06548	3.6
91.05494	27.7
91.05970	0.6
93.07057	47.2
95.04993	6.7
95.08624	18.8
97.02907	7.5
97.06549	10.1
97.10167	1.1
99.04467	2.8
99.08114	1.6
105.04530	0.9
105.07047	13.3
107.04971	2.4
107.08611	24.8
109.02885	7.6
109.06549	3.1
109.10177	4.0
111.04465	5.1
111.08121	5.2
113.09660	1.1
115.05488	1.4
117.07044	9.5
119.08605	6.8
121.06504	4.0
121.10164	13.1
122.01702	0.8
123.08018	1.3
123.11687	3.9
127.03909	6.1
127.07535	0.8
129.07065	2.3
131.08588	11.5
133.06467	1.3
133.10156	9.6
135.08061	2.3
135.11737	6.4
136.06216	3.2
143.08539	1.9
145.10133	2.4
147.04390	1.1
147.08142	0.9
147.11720	8.2
149.09631	1.8
149.13277	19.5
151.11243	1.3
155.08615	1.3
157.10182	2.2
159.08051	1.6
159.11711	9.6
165.12810	4.6
173.13368	1.2
175.11328	1.2
177.12762	6.7
183.06602	1.7
183.11690	1.4
189.12798	1.0
193.12340	0.8
195.13828	14.9
201.12630	1.0
213.14951	2.9
219.13902	1.4
233.15405	1.3
249.14937	1.1
251.16550	0.9
253.18219	1.0
267.15961	4.1
269.17499	11.3
275.16406	1.4
285.14584	1.3
297.17184	1.3
303.16061	2.7
311.18484	1.5
321.17096	3.2
339.18039	12.3
348.07147	1.7
362.67899	0.9
377.19653	3.5
395.20712	12.5
402.92242	0.9
463.30585	9.7
479.30011	1.4
571.32953	1.4
589.33893	3.5
607.34863	100.0
608.35083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.9
55.01880	4.2
55.05510	16.7
57.03446	5.2
57.07081	2.1
59.04995	0.9
65.03941	3.0
67.05507	46.8
69.03432	13.8
69.06692	1.1
69.07068	15.1
69.51990	5.7
70.61732	0.8
71.01361	1.3
71.04990	6.5
73.02901	1.7
79.05495	33.6
81.03420	50.4
81.07058	67.4
83.04975	12.2
83.08625	9.7
85.02903	7.1
85.06560	3.2
91.05486	25.5
93.07045	43.5
95.04977	9.3
95.08612	19.8
97.02903	9.5
97.06540	7.2
97.10197	1.6
99.04446	4.0
99.08092	1.9
103.05446	1.3
105.04572	0.8
105.07040	16.1
105.38077	0.9
107.04958	3.6
107.08598	20.7
109.02882	10.9
109.06548	3.7
109.10188	3.9
111.04454	6.0
111.08081	4.4
113.05992	1.1
115.91453	0.8
117.07022	10.9
119.04956	0.9
119.08575	9.0
120.53012	0.7
121.06510	3.1
121.10152	11.3
123.04433	1.1
123.08080	1.4
123.11705	5.2
127.03919	7.9
127.07596	1.1
129.07024	3.5
131.04959	0.9
131.08553	12.3
133.06526	1.7
133.10139	10.7
135.04399	1.4
135.08057	3.0
135.11719	7.1
137.06027	1.6
139.11287	0.8
141.06982	1.5
143.08601	2.0
145.06561	1.1
145.10162	2.7
147.08083	1.9
147.11674	8.1
149.05814	0.8
149.09628	1.9
149.13255	17.1
149.14388	1.2
155.08569	1.4
157.10120	2.7
159.11684	11.1
159.12840	1.0
161.13239	2.0
165.12787	4.0
169.10121	1.7
171.08043	1.1
171.11775	1.7
173.04477	1.9
173.06001	1.3
173.13303	1.4
175.11227	1.6
177.12782	6.7
179.14337	0.9
183.06523	2.3
191.14339	0.9
195.13814	14.5
197.13295	0.8
213.14890	3.7
229.14250	1.1
253.18091	0.9
257.15347	1.6
261.14780	1.4
267.16025	3.4
269.17459	8.0
275.16394	1.9
285.14783	2.4
287.16473	1.4
290.17230	0.8
290.82938	0.8
297.17188	1.7
303.16037	3.3
311.18561	1.0
321.17075	5.5
339.18051	11.1
353.24664	1.6
371.25574	1.4
377.19632	2.8
389.27066	0.9
395.20636	13.0
445.29337	7.1
463.30423	12.0
479.06201	1.1
533.31104	1.0
571.32367	2.3
589.34021	6.8
607.34766	100.0
608.35083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.9
50.96445	0.8
51.02387	1.6
52.28501	0.9
53.03951	7.3
54.63670	0.8
55.01869	3.8
55.05275	1.2
55.05521	18.5
57.03442	7.5
57.07079	2.1
63.84944	1.0
65.03938	3.2
67.05514	54.4
69.03442	14.9
69.07077	16.5
70.57449	0.8
70.57796	3.1
71.01378	1.2
71.04997	6.8
73.02930	1.6
77.03941	1.0
79.05499	40.9
81.03427	56.1
81.07066	73.9
81.90493	0.9
83.04989	12.4
83.08626	13.5
85.02912	6.2
85.06575	5.1
91.05492	31.4
93.07053	48.7
95.04987	9.4
95.08617	22.4
97.02897	8.6
97.06527	8.7
97.10172	1.1
99.04474	3.1
99.08109	2.4
105.04469	1.1
105.07043	17.7
107.04991	3.2
107.08603	25.9
109.02895	10.9
109.06519	4.6
109.10177	4.4
111.04454	8.2
111.08113	4.6
113.06013	1.1
115.05497	1.3
117.07034	10.2
119.08587	10.0
121.06536	3.6
121.10153	14.5
123.04408	1.5
123.08073	2.9
123.11699	4.5
127.03951	5.9
128.06236	1.1
129.05513	1.1
129.06999	4.7
131.04994	2.1
131.08577	12.2
133.06490	2.0
133.10153	12.4
135.08058	2.6
135.11705	5.8
137.05978	1.0
139.11151	0.8
141.06915	1.2
143.08569	2.6
145.06517	2.4
145.10162	3.6
147.04512	1.3
147.08083	2.3
147.11714	9.7
149.09665	2.0
149.13271	21.3
151.11253	1.3
155.08572	2.7
157.06581	1.5
157.10188	2.8
159.08101	1.8
159.11702	10.9
161.13237	1.1
165.12776	3.6
169.10115	1.3
173.04529	3.2
173.09677	1.4
173.13341	1.4
177.12738	6.7
181.10121	1.6
183.06566	2.4
183.11748	1.4
185.13324	1.3
195.11993	1.5
195.13821	16.4
197.04573	0.9
211.14886	1.1
213.14932	3.4
219.13927	1.6
231.13963	1.2
251.16420	0.9
257.15515	1.6
261.14993	1.6
267.15964	4.4
269.17532	12.3
273.14944	1.3
275.16486	1.3
285.14838	2.3
290.09067	1.0
293.17682	0.9
297.17056	2.0
303.16034	3.4
321.16953	5.4
339.18076	11.1
359.18677	1.5
371.26071	1.2
377.19855	2.7
389.26923	1.2
395.20810	11.1
445.29553	6.2
463.30597	12.2
479.30154	1.7
507.42648	1.0
529.31415	1.0
539.37756	1.0
571.32227	1.1
589.33746	6.6
607.34827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.4
53.03952	7.1
55.01875	3.8
55.05518	14.7
57.03439	6.2
65.03954	3.5
67.05508	50.1
69.03432	14.6
69.07075	14.4
71.01352	1.8
71.04998	5.5
75.94159	1.2
79.05024	1.6
79.05495	32.4
81.02927	2.2
81.03420	54.5
81.07060	64.9
83.04987	12.0
83.08620	11.6
85.02923	5.2
85.06556	4.6
86.09724	1.5
91.05482	31.2
93.07047	42.5
95.04972	9.7
95.08612	19.1
97.02904	10.1
97.06537	9.5
97.10176	2.2
98.06065	1.5
99.04463	3.3
99.08121	1.7
105.07036	19.4
105.07684	1.6
107.04971	3.9
107.08600	25.0
109.02872	6.5
109.06567	3.4
109.10189	5.3
111.04455	6.8
111.08101	3.4
111.91865	1.3
117.07034	9.5
119.08577	10.5
121.06528	3.5
121.10149	13.4
123.04475	1.5
123.08102	1.7
123.11741	3.8
127.03888	6.8
129.07019	5.9
131.08557	12.6
133.06528	2.9
133.10138	12.2
135.08104	2.2
135.11699	7.5
143.08598	2.5
145.06514	1.4
145.10118	2.2
147.08099	2.4
147.11707	9.4
149.09711	1.9
149.13275	14.1
151.11224	2.4
155.08601	1.8
157.10178	3.7
159.11693	10.5
160.57335	1.4
161.09669	2.3
163.03975	3.8
165.12741	2.3
169.10201	1.5
173.04523	3.5
173.13316	2.1
177.12807	5.1
183.06528	2.3
183.11786	2.6
184.07425	4.5
195.13818	13.8
213.14868	2.9
218.89366	1.5
219.13954	1.5
267.15912	3.1
269.17499	10.7
275.16470	1.6
303.16086	2.8
321.17078	3.8
339.18158	7.2
342.62070	1.6
348.18683	2.3
377.19812	2.7
395.20642	10.0
410.26447	2.1
434.58157	1.3
445.29361	7.1
445.56976	1.6
463.30704	10.1
571.33215	2.1
589.33392	5.9
607.34802	100.0
608.35187	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79486	1.5
52.44467	1.6
53.03934	4.9
54.50698	1.4
55.01838	2.4
55.05500	7.6
56.05032	3.0
57.07072	2.3
60.04495	1.8
67.05507	23.8
69.03411	4.8
69.07063	8.0
71.04976	2.6
71.53051	1.6
79.05120	1.8
79.05492	16.3
81.03424	11.5
81.05772	2.1
81.07061	28.8
82.06579	3.8
83.04967	2.5
83.08601	4.2
85.02907	4.0
87.04453	3.7
91.05487	7.9
93.07047	22.7
94.06553	12.2
94.07359	2.0
95.04955	4.8
95.08607	33.2
96.08962	2.1
97.02851	2.0
97.06536	8.0
102.06411	1.6
103.05463	2.3
105.07018	10.9
107.04937	1.7
107.07370	2.5
107.08595	3.3
108.08897	2.0
109.10149	6.0
110.09674	6.7
111.08096	12.2
111.13950	1.9
117.06986	2.5
119.08562	3.0
121.10166	3.5
122.08879	2.4
122.09672	30.9
123.08067	22.2
123.11741	1.8
128.10719	31.0
129.11063	1.8
132.08888	2.2
135.53352	1.6
140.10707	85.5
141.09135	9.3
149.13255	4.4
158.11731	8.2
178.97684	1.7
225.87564	1.7
247.99464	1.7
251.32870	1.9
267.15912	2.0
270.24268	5.8
279.48996	1.6
295.64969	1.6
368.25861	2.1
380.31656	10.3
392.31677	15.3
401.53946	1.7
410.32669	100.0
428.33820	20.5
448.53946	1.6
548.27179	1.9
608.34802	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	609.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02178	0.1
51.02391	0.2
53.03962	0.2
55.01880	0.2
57.03439	0.3
57.77847	0.2
58.09986	0.1
58.59320	0.2
63.02390	0.2
65.03943	1.9
68.65063	0.2
68.99800	0.5
70.09343	0.3
70.09740	0.4
71.01362	1.3
73.02916	0.4
75.86867	0.2
81.03410	0.3
85.02914	2.1
91.05494	17.7
94.04211	0.6
95.04965	0.2
97.02896	0.7
98.20832	0.2
99.00848	0.3
103.05447	0.2
105.03378	0.2
105.07059	0.4
107.04954	0.6
111.00826	0.3
113.02349	0.7
115.58192	0.2
117.07061	0.2
119.04961	34.1
121.02883	1.7
125.11766	0.2
128.06245	0.2
129.07008	0.3
131.03435	0.4
131.04953	1.0
131.08640	0.2
132.05717	1.8
133.02896	0.2
133.06525	1.4
137.02415	0.3
140.80775	0.2
141.01863	0.3
141.07014	0.5
144.05672	0.2
145.06509	1.0
147.04431	100.0
148.04764	0.5
149.05980	0.2
153.01820	1.3
157.06534	1.6
159.02939	0.4
159.04300	0.3
159.08101	0.3
160.05223	0.3
161.06030	0.5
163.03932	0.2
165.01884	0.6
165.05482	1.5
165.06500	0.1
169.06523	0.7
173.05988	0.9
174.06754	1.2
175.03975	0.5
177.05475	1.3
183.02980	0.3
184.05222	0.2
185.05991	1.5
187.07578	0.7
189.05536	0.5
197.06023	0.6
201.05473	0.5
202.06287	2.3
203.07063	1.3
213.05504	2.2
215.07053	0.6
230.05785	11.6
231.06540	2.1
241.05019	2.4
243.06569	1.9
248.61343	0.2
258.05252	0.4
259.06058	2.6
261.07535	1.3
269.04507	3.4
287.05536	43.0
288.05835	0.4
305.06516	1.8
319.67905	0.2
323.07669	4.5
463.08740	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	609.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
53.29918	0.1
55.01862	0.2
56.77544	0.1
57.03426	0.1
58.07812	0.1
65.03940	1.7
68.99787	0.7
69.03446	0.2
70.77366	0.4
71.01353	1.4
72.65730	0.1
75.04861	0.1
76.20940	0.1
79.05507	0.2
81.07063	0.1
85.02893	1.6
91.05485	13.4
94.04201	0.9
95.01302	0.2
95.04979	0.2
97.02898	0.8
97.67636	0.1
99.00814	0.2
105.07047	0.5
107.04971	0.7
109.02875	0.3
109.86673	0.1
111.00797	0.3
113.02376	0.4
114.58713	0.1
115.23064	0.1
119.04947	29.4
121.02884	1.3
123.04433	0.2
128.06198	0.2
129.06961	0.2
129.45747	0.1
131.03429	0.2
131.04912	1.7
132.05701	2.4
133.06499	1.9
134.03656	0.3
137.02307	0.3
141.01840	0.3
141.07028	0.7
144.05788	0.2
145.06474	1.4
146.07187	0.2
147.04414	100.0
148.04750	0.4
149.05974	0.3
153.01826	0.8
153.06941	0.1
155.06017	0.1
157.06493	2.3
159.02963	0.3
159.04401	0.5
159.08066	0.4
160.05211	0.4
161.05966	0.6
165.01843	0.4
165.05508	1.5
167.05095	0.1
169.06473	0.9
171.04373	0.4
171.08052	0.2
173.05968	1.3
174.06784	1.9
175.03929	0.6
177.05473	1.8
183.02930	0.3
184.05241	0.3
185.05992	1.9
187.07523	0.9
188.04822	0.2
189.05510	0.9
191.91296	0.1
197.05942	0.8
201.05502	0.7
202.06238	3.6
203.07024	1.2
209.26375	0.1
213.05472	2.8
215.03429	0.1
215.07121	1.0
225.05496	0.2
229.04977	0.4
230.05754	17.1
231.02945	0.1
231.06514	2.9
241.04948	2.5
243.06548	3.5
244.07022	0.1
258.05267	0.3
259.06009	3.8
261.07584	2.3
269.04468	5.0
277.07053	0.3
287.05508	32.5
288.05814	0.2
305.06537	3.0
323.07632	10.5
414.19858	0.1
463.09106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
61.02925	0.3
68.99796	0.4
69.03419	0.4
70.06590	0.8
70.49967	0.7
71.01360	1.1
71.02316	0.2
71.04996	6.2
73.02925	1.4
75.04482	0.3
79.05501	0.3
80.25256	0.2
81.03422	0.4
83.04993	0.4
84.04509	0.2
84.08144	0.2
85.02911	9.4
91.05477	0.2
95.01345	0.5
97.02924	0.6
99.00816	0.2
101.02419	0.2
103.03961	0.4
109.02897	0.2
111.00787	0.6
111.04453	0.3
113.02393	1.8
119.04986	0.2
121.02871	1.8
127.03889	0.3
129.05505	1.1
131.03398	0.8
133.02829	0.5
135.04446	0.3
137.02356	0.4
141.01840	1.1
147.04434	0.8
147.06543	0.2
153.01820	2.5
159.02931	1.0
163.03870	0.2
165.01878	0.8
167.72121	0.2
183.02895	0.6
213.05507	0.9
231.06519	0.6
241.04945	0.5
258.05267	0.7
259.06149	0.2
285.07617	0.3
287.05505	100.0
288.05753	0.6
301.60385	0.2
306.64383	0.3
402.67114	0.2
437.68430	0.2
463.08749	2.9
474.74130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.71560	0.2
55.05519	0.3
64.35243	0.2
67.05505	1.1
69.07077	0.4
79.05521	1.0
81.07051	0.6
83.08634	0.3
91.05479	0.7
91.92027	0.2
93.07047	0.8
95.08622	0.8
105.07046	0.5
107.08620	0.6
109.10184	0.4
117.07047	0.6
119.08575	0.6
121.10165	0.4
128.06216	0.2
129.07036	0.2
131.08592	0.5
133.10190	0.2
143.08548	0.3
145.10127	0.4
159.11803	0.2
169.10162	0.3
171.11726	0.3
197.13245	0.3
209.10805	0.3
220.97981	0.3
224.12970	0.2
242.55901	0.2
243.20987	0.2
270.59329	0.2
275.20071	0.4
305.48480	0.2
335.25827	0.3
353.32831	0.2
363.16394	0.2
375.16354	0.5
377.17813	0.4
378.18539	0.2
387.16574	0.4
388.17197	0.3
389.17697	0.9
390.18530	0.6
391.19260	1.8
392.20050	0.5
399.16776	0.3
400.16943	0.2
401.18118	0.5
402.18570	0.7
403.19308	2.2
404.20105	0.9
405.16620	0.2
405.21100	2.4
406.21884	0.6
407.22321	1.9
415.19650	1.1
416.20566	0.5
417.16846	1.1
417.21826	1.8
418.17261	1.0
419.18399	1.0
419.23099	3.1
420.23621	1.1
421.24210	0.4
428.20367	0.2
429.16495	0.3
429.21429	0.4
430.17358	1.3
431.18054	3.7
432.18686	1.6
432.24268	0.5
433.20282	8.1
434.21179	0.9
435.21912	0.7
443.18472	1.8
444.19260	2.4
445.19931	3.6
446.21222	3.0
447.21927	4.3
447.26831	0.3
448.22708	1.4
449.23740	0.3
457.20389	0.6
458.21024	5.7
459.21869	5.1
460.23010	3.5
461.19989	0.7
462.20239	0.4
463.21210	2.7
465.22913	0.6
472.22916	0.3
473.23605	0.5
474.20068	0.3
475.20786	2.0
476.22104	0.8
477.22971	1.5
478.24118	0.4
487.25739	0.3
489.19275	0.7
490.23740	0.8
491.20984	0.7
503.20560	0.6
503.24472	0.7
516.21912	0.3
517.22052	1.2
518.23242	3.1
519.23944	10.9
521.22278	1.9
521.24872	1.6
531.23688	1.1
532.24847	1.2
535.23633	0.4
549.25043	3.6
562.21735	0.3
563.26984	0.6
573.25385	0.5
576.23163	0.4
579.26031	0.6
591.26056	12.9
592.27087	0.3
609.27124	100.0
609.44543	2.5
610.27448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01855	0.4
55.05504	0.4
62.32431	0.3
64.49817	0.3
67.05502	1.0
69.31545	2.3
71.05003	0.4
73.55724	0.3
79.05485	0.9
81.07072	0.8
91.05500	0.7
93.07057	0.7
95.08604	0.7
107.08600	0.7
109.10205	0.5
117.07075	0.4
119.08549	0.4
132.08124	0.4
133.10155	0.5
134.71635	0.4
147.34708	0.4
166.08562	0.3
174.46870	0.3
194.08215	0.4
195.09160	1.0
196.09969	1.1
197.10808	1.3
199.08763	0.5
208.11499	0.4
209.10753	3.3
210.11458	1.9
211.08752	0.7
211.12320	3.3
212.13091	0.4
221.10811	0.6
222.07809	0.3
222.11302	0.6
222.13054	0.4
223.08760	0.7
223.12326	4.1
224.09587	0.4
224.13095	4.6
225.10289	1.3
225.13795	1.8
226.14775	0.5
235.08665	0.7
235.12393	0.4
236.09482	0.5
237.10233	1.7
237.13879	2.6
238.11111	0.6
238.14709	1.3
239.08330	0.4
239.11749	0.5
239.15439	3.1
240.16219	0.5
247.12328	0.4
249.10381	1.1
250.11163	0.7
251.08403	0.7
251.11862	1.5
253.09720	0.6
253.13594	0.4
255.11363	0.5
262.26196	0.3
265.09967	0.7
265.13400	1.9
267.11356	0.4
267.15112	1.0
269.12936	0.5
277.09747	0.8
279.11365	1.3
282.09955	0.4
283.11005	0.7
283.14407	0.5
295.10916	0.6
297.12451	0.9
316.18399	0.4
323.10309	0.9
323.48361	0.4
324.11401	0.5
326.16653	0.4
340.14493	0.4
377.17569	0.4
391.18958	0.4
402.16183	0.5
404.16406	0.8
405.16757	0.6
417.16895	0.5
418.17828	0.7
419.18765	1.4
431.19241	0.5
432.19485	0.6
433.20605	1.8
447.17975	0.9
447.22809	0.5
448.18222	0.5
461.19772	1.5
462.20450	0.4
463.21524	1.0
468.15701	0.3
475.21167	1.1
476.22162	1.8
477.22546	1.7
483.48468	0.4
490.23538	0.5
493.21976	0.9
503.24640	0.7
504.23099	0.3
505.26825	0.4
506.23315	0.5
507.24274	0.5
508.24643	0.4
519.20673	0.8
521.22156	2.7
531.23676	1.6
532.22321	0.3
533.25995	0.3
534.22595	2.0
535.23584	0.7
537.21838	0.4
541.23065	0.3
549.16473	0.7
549.25018	13.6
550.25421	0.5
552.23920	0.3
559.23303	0.8
577.24451	3.3
580.23474	0.8
581.27271	1.3
591.26233	0.6
609.27081	100.0
610.27515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05502	0.5
63.92031	0.6
66.25806	0.5
67.05508	1.7
68.92982	0.6
70.17769	2.0
79.05503	1.3
81.07085	2.7
83.08640	0.7
86.16004	0.5
91.05491	1.6
93.07056	1.3
93.14716	0.6
95.08618	0.8
98.98453	0.7
103.49491	0.5
105.07048	1.7
107.08573	1.2
107.25527	0.5
109.10207	1.0
119.08578	1.1
131.08551	0.8
133.10152	1.7
135.11717	0.6
136.59456	0.5
145.10146	1.0
171.11690	0.6
353.15186	0.6
384.83176	0.6
391.19086	1.1
391.66296	0.6
403.19363	0.6
405.21118	1.4
406.21671	1.6
407.22311	1.1
418.17789	1.6
419.18561	2.4
420.23410	1.9
421.24066	2.1
431.18915	0.7
432.19244	1.2
433.20007	7.1
434.20538	2.5
435.21487	0.7
446.21228	0.9
447.22293	5.5
448.22763	3.6
449.23398	2.2
462.20267	1.3
463.20557	2.5
465.22543	0.9
475.21417	0.8
476.21936	4.5
477.23019	4.1
479.24866	1.1
489.22919	1.0
503.24490	1.0
507.23660	1.2
511.37570	1.3
520.24536	2.3
521.25409	2.7
549.24982	21.8
580.26630	2.0
581.27612	0.9
590.27454	0.7
609.27081	100.0
610.27472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.7
53.03948	3.8
55.01856	1.9
55.05516	9.3
57.03422	2.2
57.07074	3.3
65.03923	1.8
67.05510	37.5
69.03437	15.8
69.07074	9.4
71.04973	2.0
71.08611	2.1
73.02899	0.9
73.94296	0.5
78.98202	0.5
79.05500	13.8
81.03423	28.5
81.07062	38.9
83.01330	0.5
83.04996	3.3
83.08218	0.6
83.08630	6.0
85.02910	9.8
85.06528	1.1
85.10141	1.0
91.05488	11.8
93.03417	0.6
93.06494	0.9
93.07053	15.6
95.04962	2.8
95.08613	28.7
97.02898	14.3
97.06529	2.2
97.10171	5.2
99.04464	3.7
99.08096	1.5
103.03945	0.7
103.05415	0.6
105.06387	0.9
105.07038	9.1
107.04950	1.0
107.08604	9.7
109.02889	9.5
109.06512	1.6
109.09467	0.9
109.10162	12.1
109.70113	0.6
111.04458	2.9
111.08070	1.4
111.11686	1.2
113.09620	0.9
117.07030	3.4
119.08600	6.6
121.02851	2.4
121.06494	1.7
121.10155	8.2
123.08036	0.7
123.11715	4.9
125.02367	0.7
125.09604	0.9
127.03924	7.0
128.06238	0.6
129.05463	0.8
129.07002	1.4
131.08589	3.9
133.06467	0.8
133.10139	5.5
135.11710	4.0
136.01613	0.8
137.09624	0.8
137.13239	1.8
137.22971	0.5
139.03893	3.0
139.11176	0.7
143.03378	1.1
143.08565	1.8
145.04974	2.6
145.06496	0.5
145.10135	3.3
147.08020	0.7
147.11716	4.0
149.02364	5.5
149.09633	1.1
149.13292	3.5
151.11205	1.1
151.14801	1.7
153.12668	0.9
155.08531	1.0
157.06517	0.6
157.10135	1.8
159.08066	0.7
159.11699	2.2
161.09668	0.9
161.13268	3.2
163.11203	0.7
163.14824	2.6
165.12729	1.0
165.16406	1.1
167.03419	17.6
167.14357	0.7
168.09427	0.6
169.10156	0.7
171.11588	1.0
173.09636	0.6
173.13246	1.7
175.14848	3.0
177.12720	0.9
177.16412	1.0
179.14264	0.5
179.17943	0.5
181.04932	0.6
183.11690	0.7
185.04466	100.0
185.13237	1.0
187.14787	1.7
189.12723	0.7
189.16399	1.8
191.14360	1.1
193.12286	0.7
193.16035	0.7
195.11719	0.6
197.04477	1.2
197.13252	0.8
199.14806	0.9
201.16356	0.7
203.17885	0.7
205.12177	0.8
209.04453	2.7
215.18054	0.5
217.15945	0.6
227.05482	3.2
231.17319	0.7
233.15343	0.7
235.16902	0.8
243.21164	1.2
245.22687	4.8
251.05478	1.7
254.50679	0.7
261.22202	2.0
263.23688	10.0
273.18515	0.7
275.05527	1.7
275.20233	1.2
275.23730	0.8
279.23257	1.5
291.23138	2.0
293.06689	0.7
293.24768	2.0
303.23199	2.0
305.24826	1.8
317.24786	1.5
321.24515	1.0
329.24658	1.2
333.24048	0.7
343.26404	2.6
347.26111	0.6
353.24890	1.9
358.94373	0.6
371.25812	6.9
389.26852	6.5
391.19226	0.7
393.20737	0.7
407.22400	1.7
407.28009	7.6
417.43967	0.6
419.18481	1.2
425.28830	0.6
433.20523	1.1
434.20999	1.1
435.21927	1.9
447.17862	0.8
459.95038	0.6
462.20590	1.5
463.21835	1.0
475.21692	0.6
521.26062	2.9
527.39935	0.6
549.25018	6.8
609.27075	23.2
609.43542	3.6
610.27112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
54.17157	2.2
55.01864	5.2
55.05511	19.9
57.03429	3.7
65.03926	3.3
67.05511	54.7
69.07078	20.6
71.04964	2.4
71.53065	2.8
74.92096	2.2
79.05495	52.2
81.07063	57.8
83.05006	4.0
83.08624	9.1
91.05476	42.1
93.07047	38.9
95.01337	4.4
95.04976	9.1
95.08616	34.7
97.06532	8.5
97.10160	3.3
105.07039	40.0
107.04976	9.8
107.08606	20.4
109.06525	8.6
109.10164	13.1
115.05486	2.5
117.07034	17.3
119.08586	34.5
119.67422	2.3
121.10130	15.8
123.11693	6.2
129.06970	5.7
131.08566	29.2
133.10135	30.6
135.08115	3.5
135.11699	8.1
143.08578	7.7
145.10147	20.9
147.11719	13.8
149.09650	5.8
149.13228	5.5
155.08626	2.8
157.10144	6.3
159.11710	15.8
161.13298	6.4
161.16531	2.5
169.10152	6.3
171.11703	3.0
173.13342	5.0
179.14371	9.7
183.11774	3.1
185.13234	4.9
187.11328	2.7
197.13275	5.3
213.16542	3.3
214.04002	2.2
219.17455	26.5
229.19469	3.2
239.17953	3.1
257.19025	12.5
261.22095	5.0
275.20114	46.6
293.21207	3.2
331.22949	3.5
335.25873	4.3
517.40253	3.5
609.27411	11.3
609.45154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03943	1.8
55.01864	0.9
55.05517	12.4
57.03240	0.3
57.03447	3.4
57.07074	1.5
59.05006	0.5
65.03937	1.3
67.05508	19.8
69.07075	8.9
69.16142	1.7
69.16573	2.2
71.04990	0.8
77.03923	0.5
79.05503	12.5
81.07066	21.2
83.04971	1.1
83.08624	5.4
85.06554	1.1
91.05489	11.7
93.07054	15.5
95.04977	1.5
95.08614	18.0
95.69640	0.4
97.06538	1.7
97.10183	2.8
99.08141	0.5
103.05516	0.5
105.07037	12.7
107.08606	9.5
109.06552	0.7
109.10162	7.8
111.08088	1.2
115.05446	0.8
117.07029	6.3
119.08584	10.7
121.10149	6.4
123.08089	1.2
123.11723	1.9
125.09645	0.8
128.06227	2.1
129.07005	7.4
130.07837	0.6
131.08575	10.8
133.10147	9.4
135.08063	0.6
135.11700	3.5
137.09618	0.6
137.13292	0.7
141.06984	4.1
142.07780	2.3
143.08582	10.2
145.10141	12.3
147.08145	0.5
147.11700	5.1
149.09622	0.9
149.13284	2.1
153.07010	1.3
154.07770	1.2
155.08569	9.2
156.09370	1.6
157.10139	11.8
158.10931	0.6
159.11705	8.1
161.12160	0.4
161.13292	2.4
163.14824	0.6
165.07014	1.2
166.07819	0.9
167.08563	4.5
168.09393	1.4
169.10138	11.8
170.10907	0.9
171.11697	10.5
173.13258	6.2
175.14905	1.5
178.07826	0.4
179.08533	2.3
179.14372	0.5
180.09387	0.9
181.10138	6.6
182.10945	1.5
183.11716	13.1
185.04515	0.4
185.13269	7.4
186.14023	0.4
187.11188	0.4
187.14844	3.3
189.12787	0.4
189.16447	1.2
192.09415	0.5
193.10168	2.7
194.10820	0.8
195.11707	7.5
195.13441	0.7
196.12566	0.8
197.13274	8.6
198.14056	0.7
199.14851	4.8
201.16452	1.8
203.17906	0.5
205.10159	0.6
207.11763	1.9
208.12520	0.5
209.13266	5.8
210.14095	0.6
210.82770	0.5
211.11444	0.5
211.14822	7.2
213.14789	0.5
213.16475	3.4
215.18063	0.6
219.11716	0.8
221.13278	2.4
222.14017	0.5
223.14886	4.4
225.16370	4.1
225.54211	0.4
227.18053	2.8
229.19595	0.5
232.72467	0.4
233.13278	0.8
235.14798	1.9
237.16393	3.3
239.18097	2.4
241.19742	1.1
247.14836	0.7
249.16455	1.3
251.17953	2.5
253.19528	1.5
255.17360	0.5
255.21248	0.6
257.19028	2.3
259.20587	0.6
263.18051	1.2
265.19513	1.7
267.21222	0.8
269.18930	0.5
275.17627	0.5
275.20203	1.6
277.19534	1.1
279.20996	0.7
281.19104	0.6
281.22769	0.5
283.20508	0.7
285.18655	0.5
285.22144	0.6
291.20999	0.5
293.18753	0.6
293.22623	0.6
295.20898	0.7
297.22220	0.8
305.22815	0.6
307.20526	0.5
309.22009	1.0
311.20499	0.5
311.23947	0.7
313.21558	0.7
321.22079	0.9
323.20392	0.5
323.23886	1.0
325.21863	0.5
325.25418	0.6
327.23352	0.5
329.24960	0.6
331.22659	0.5
335.23520	0.8
337.21588	0.5
337.25464	1.2
339.23251	0.7
339.27066	0.6
341.24689	0.6
343.98419	0.4
347.23410	0.7
349.25314	0.7
351.26852	1.5
353.24539	0.6
353.28659	0.5
363.26993	1.1
365.24564	0.7
365.28433	1.0
367.26395	0.7
374.04892	0.5
375.26740	0.4
377.28711	0.9
379.25977	0.8
379.30304	0.7
391.29968	0.9
393.31870	0.5
405.32138	0.7
407.29379	0.8
410.80765	0.4
419.27985	0.5
421.31638	0.7
423.32544	0.6
429.31747	0.6
435.32581	0.6
445.20544	0.5
447.32550	1.2
449.34229	0.9
461.33795	0.8
475.35361	0.6
499.39444	1.6
501.35431	0.6
515.37427	0.5
517.40509	10.6
521.36322	0.6
525.35907	0.6
527.37512	0.5
535.41595	5.3
539.37384	1.4
553.42902	0.9
565.42657	0.5
573.43219	1.5
591.26270	0.9
591.44153	13.6
609.27386	3.6
609.45184	100.0
610.45636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
52.54446	1.2
53.03951	7.8
55.01881	7.7
55.05519	23.4
57.03441	3.2
57.07074	1.8
57.43694	1.4
59.29090	1.2
65.03950	4.9
67.05513	52.4
69.03436	3.2
69.07076	32.9
69.14915	11.3
71.05002	2.6
79.05503	59.0
81.03432	6.8
81.07066	70.9
83.04991	7.5
83.08625	7.5
85.06551	3.7
91.05492	59.5
93.07057	56.2
95.01344	10.5
95.04977	11.3
95.08617	44.6
97.06535	15.8
97.10174	4.2
103.05510	2.1
105.04543	3.4
105.07044	66.6
107.04968	13.9
107.08603	24.0
109.06557	8.7
109.10147	9.2
111.08112	3.1
115.05453	1.5
117.07015	14.0
119.08596	33.5
121.06548	1.6
121.10162	16.2
123.04458	2.0
123.08114	3.7
123.11729	4.6
125.09655	1.6
127.60325	1.2
129.07057	2.4
131.08577	23.5
133.06546	1.7
133.10146	40.1
135.08090	5.4
135.11693	12.0
137.09653	4.4
139.07561	1.6
143.08591	4.6
145.06554	1.6
145.10132	17.8
147.11696	15.5
149.09666	3.8
149.13281	6.6
151.11253	1.5
157.10197	4.1
159.11720	13.6
161.13254	6.1
163.11189	3.9
163.14903	1.8
165.09163	2.6
169.10173	3.0
171.11763	2.7
173.13326	5.7
175.14821	1.2
177.12811	4.3
179.14333	17.0
183.11760	2.9
187.11247	2.7
192.67006	1.6
201.16473	1.5
206.33527	1.1
219.14098	1.4
219.17467	11.1
229.19574	2.9
239.18015	2.5
241.14401	1.3
247.20624	3.4
257.19095	7.9
275.20093	93.3
293.21185	5.8
311.43365	1.5
312.79431	1.2
331.22733	1.5
335.25949	2.5
349.24042	1.3
459.79785	1.4
609.45233	100.0
610.46411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
55.01876	4.3
55.05522	14.5
57.03437	3.3
65.03947	3.3
67.05512	32.6
69.03427	11.2
69.07076	14.2
70.31292	2.4
71.05003	4.0
71.53158	3.4
79.05497	36.3
81.03432	13.4
81.07063	41.5
83.04989	3.3
83.08618	5.9
83.62701	2.4
85.02921	3.9
89.52770	2.7
91.05465	44.0
93.07053	100.0
93.07641	5.5
95.04971	8.3
95.08618	31.4
97.02893	5.6
97.06562	3.8
97.10217	3.3
105.04498	3.1
105.07047	27.0
107.04948	2.9
107.08606	97.3
109.06523	5.4
109.10190	16.4
111.04452	3.3
111.98951	2.3
117.07037	10.7
119.06100	2.8
119.08562	13.5
121.10146	17.1
123.11697	5.6
129.07005	3.9
131.08586	14.1
133.06480	2.5
133.10144	11.7
135.11699	52.9
137.13266	4.2
143.08560	6.4
145.10114	14.5
147.11700	9.2
149.09570	3.3
149.13254	5.8
155.08583	3.7
157.10143	8.2
159.11705	8.5
161.13246	5.1
164.75830	2.3
167.75916	2.5
169.10138	2.8
171.11737	5.3
173.13307	7.0
183.11736	2.7
185.13304	3.7
187.14772	3.1
230.97588	3.0
259.20630	3.0
261.22247	5.6
268.98068	2.8
275.20212	5.3
276.20508	4.5
294.06979	2.5
299.06708	2.6
303.23041	4.2
341.24707	3.0
355.06979	4.7
369.24377	7.2
387.25464	5.7
405.26178	6.1
477.22339	3.6
503.08063	2.9
517.35345	3.6
543.36407	3.6
550.25427	2.9
561.82312	3.0
575.39581	3.1
610.28113	11.9
610.45563	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66399	0.4
71.51208	0.4
77.37278	0.4
94.93016	1.9
122.95033	0.4
134.96124	2.3
138.93779	0.6
162.95653	0.6
164.93532	3.6
178.95129	2.0
188.93544	1.0
196.94357	0.6
202.89122	1.7
224.95653	0.7
250.93582	2.0
268.94617	100.0
269.95413	0.4
270.17758	0.4
284.83771	0.9
320.06146	0.5
344.85791	2.2
381.08038	3.6
399.27948	0.5
399.93451	0.4
618.64594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33647	0.4
53.74623	0.5
60.60275	0.5
69.86393	1.2
69.86803	1.9
94.93011	2.2
110.77332	0.5
131.53929	0.5
134.96115	3.2
136.94046	0.6
138.93835	1.1
140.18225	0.5
164.93567	4.4
172.52475	0.5
178.95047	1.4
188.93515	1.3
189.58311	0.5
196.94527	0.6
202.89104	2.3
204.80063	0.5
204.87088	1.0
250.93515	2.5
268.94632	100.0
284.83572	0.6
306.90234	0.8
344.85788	1.3
381.08057	3.9
593.17786	0.6
627.56921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03950	0.4
55.01860	0.6
63.02363	0.5
64.93820	0.4
69.03429	4.0
71.52998	0.4
73.08636	0.3
76.70028	0.4
79.05485	1.8
81.03413	0.8
85.02908	1.2
86.09689	0.5
89.03912	7.0
91.05488	1.5
93.07004	0.4
97.02888	0.9
107.04967	1.9
107.08578	0.5
109.02898	0.6
111.00816	0.5
117.03380	9.3
119.04948	4.4
121.02864	1.6
127.03922	1.8
135.04420	16.8
137.02310	0.6
145.02852	13.5
145.03996	0.8
147.03235	0.9
147.04416	18.4
153.01859	2.4
163.03909	100.0
164.04300	0.8
165.01866	1.3
173.35707	0.4
181.05028	0.9
183.02913	0.9
201.05507	0.5
213.05431	0.7
231.06480	0.6
241.04866	0.5
258.05167	0.9
269.17511	0.6
287.05511	72.7
288.05966	0.8
303.05005	7.7
307.08127	2.9
325.09180	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	611.1398
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.3
57.03444	0.2
68.99790	0.3
69.03436	0.2
70.91396	0.4
79.05486	1.0
81.03433	0.3
85.02901	0.4
89.03921	5.7
91.05495	0.3
91.09738	0.2
92.76986	0.2
93.95536	0.2
95.04915	0.2
97.02910	0.4
105.03438	0.2
107.04971	1.7
107.80952	0.2
109.02884	0.3
111.00825	0.2
117.03386	8.7
121.02886	1.7
133.02844	0.3
135.04425	16.2
137.02367	0.5
138.43320	0.2
145.02853	12.5
147.04405	0.4
153.01837	2.4
157.06554	0.2
159.67348	0.2
163.03914	100.0
164.04240	0.5
165.01877	1.2
183.02917	0.5
185.05971	0.4
186.05414	0.3
203.07115	0.3
213.05489	0.8
231.06544	0.5
241.04982	0.5
247.06075	0.2
258.05209	0.7
259.06134	0.3
287.05515	62.6
288.05844	0.5
303.05167	0.3
307.08163	0.4
308.41309	0.2
325.09207	6.1
329.06424	0.2
350.74777	0.2
355.88745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	56343-26-1
Peak:m/z	Relative Intensity
55.01877	0.2
61.29041	0.2
65.03946	1.0
68.99779	0.4
71.22594	0.3
81.03398	0.3
85.02897	0.3
91.05485	8.8
95.04990	0.2
97.02909	0.4
101.42458	0.2
105.03484	0.3
105.06987	0.2
109.02893	0.3
111.00787	0.3
119.04949	21.9
121.02883	0.5
132.83902	0.2
137.02344	1.2
147.04416	100.0
148.04819	0.5
153.01839	1.8
155.04922	0.2
162.74927	0.2
163.03909	0.8
165.01811	0.6
165.05527	0.3
179.55090	0.2
183.02859	0.4
195.03040	0.2
201.05527	0.5
229.04968	2.2
249.07735	0.3
257.04337	1.0
266.43082	0.2
284.93527	0.2
285.03964	0.5
287.05518	0.3
291.08633	0.6
303.05005	42.1
309.09711	6.2
345.06070	0.3
453.66113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00314	1.2
55.01862	1.7
57.03409	0.7
59.34374	0.5
61.59312	0.5
65.03938	1.7
67.05494	0.7
68.99782	5.7
69.96113	2.8
70.06583	0.6
71.04987	7.8
76.08296	0.5
79.05473	0.8
81.03407	2.8
85.02906	8.2
91.05492	0.8
93.03425	0.7
95.04955	0.8
99.04469	0.8
103.05482	0.6
105.03422	1.0
107.04950	1.7
109.02879	3.6
111.00813	8.1
111.04443	1.0
119.04924	0.9
121.02879	2.5
123.04436	10.3
127.03919	67.5
129.05473	1.7
133.02834	3.2
135.04378	4.5
137.02353	1.9
139.03906	100.0
145.02762	0.7
145.06422	0.7
147.04416	7.4
149.02341	1.9
151.03912	27.5
153.01836	1.8
153.05464	1.2
155.03427	1.8
157.06483	1.4
159.04407	2.0
161.05991	1.8
163.03902	13.9
165.01848	1.0
165.05481	1.9
167.03398	1.6
169.04961	1.5
171.04495	1.6
173.05988	1.4
175.03918	15.4
177.05452	5.4
179.03394	37.9
181.04938	5.9
185.05940	1.4
187.03963	1.0
189.05515	5.0
191.03375	6.7
193.04985	7.4
199.03926	2.1
201.05466	3.7
203.03392	22.9
205.04993	1.9
207.02797	0.6
213.05460	5.3
215.03410	1.9
217.04958	5.8
219.06560	0.9
221.04451	1.2
227.03374	1.3
229.04947	5.8
231.06581	2.7
233.04446	1.9
235.50142	0.6
239.03421	0.8
241.04938	3.9
245.04460	18.2
253.04857	1.0
255.06557	0.7
257.04446	19.9
258.05231	2.2
259.06009	3.0
263.05502	8.7
269.04489	5.8
271.06091	4.5
275.05502	17.6
281.04312	1.2
285.03943	1.3
287.05502	62.5
289.07068	3.7
291.08789	1.2
299.05487	18.1
301.07108	1.1
303.05008	34.8
305.06537	9.0
307.08115	5.7
311.05481	1.8
317.06567	14.3
319.08127	2.3
329.06534	1.6
349.09296	1.2
407.07730	1.3
425.08698	32.8
437.08670	2.5
443.09787	10.4
449.09076	1.4
455.09818	2.0
465.10287	6.2
467.09677	6.2
485.10889	1.1
593.12769	0.7
611.13177	0.7
626.17468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.03918	0.8
55.01871	1.9
66.06925	0.7
67.05481	0.7
68.99786	6.3
69.44302	5.3
71.04999	1.3
72.64296	0.6
81.03409	2.0
85.02914	1.3
95.04975	1.1
99.04494	0.8
109.02897	3.4
111.00795	6.3
111.04446	1.6
112.18610	0.7
119.04948	0.7
121.02859	1.7
123.04425	10.5
127.03921	88.8
133.02849	2.6
135.04422	2.0
137.02359	1.3
139.03906	100.0
147.04405	5.2
149.02342	3.0
151.03909	30.1
155.03389	1.4
159.04428	1.6
161.05991	1.6
163.03915	7.1
165.05490	2.9
167.03400	4.8
169.05005	1.1
171.04445	1.6
173.06125	0.8
174.47745	0.7
175.03906	12.4
177.05490	5.6
179.03397	33.6
181.04956	4.4
183.04475	1.0
185.05931	1.1
187.03836	1.6
189.05486	4.4
191.03395	11.6
193.04955	3.6
195.06627	1.0
197.05919	1.0
199.04001	2.1
201.05469	3.9
203.03401	19.0
205.04951	3.1
213.05486	5.2
215.03516	1.0
217.04927	4.9
219.06569	1.0
221.04538	0.8
225.05365	1.0
227.03401	1.0
229.04915	5.6
231.06453	4.1
233.04486	7.6
237.50298	0.8
241.04991	2.7
243.06473	0.7
245.04469	13.8
247.06096	0.8
251.05521	2.7
253.04823	0.8
257.04428	17.2
258.05264	1.1
259.05984	3.8
263.05508	18.5
269.04465	3.4
271.06046	2.9
275.05496	22.3
277.07101	1.2
287.05508	42.2
289.06955	2.6
299.05515	17.4
303.04895	6.2
305.06500	12.8
307.08154	9.1
317.02896	1.5
317.06573	24.1
319.08099	1.8
388.43866	0.9
407.07529	3.2
425.08658	24.9
427.90540	0.8
437.08505	1.6
443.09753	20.6
455.09644	0.8
465.10031	0.9
467.09790	2.8
485.10416	0.8
617.80707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.7
53.03951	0.5
55.01869	1.3
62.81895	0.4
65.03938	1.2
67.01862	0.8
68.29381	0.5
68.99799	6.8
71.04996	1.3
71.51643	0.7
71.52006	0.5
81.03427	3.2
85.02919	2.2
93.03413	0.7
95.04984	1.1
99.04480	1.4
107.05036	0.5
109.02856	3.9
111.00815	7.5
111.04458	1.1
115.05482	0.8
116.15301	0.5
119.01940	0.6
121.02898	1.3
123.04433	10.6
127.03923	100.0
131.04893	0.7
133.02846	1.9
135.04382	1.7
135.05322	0.6
136.06178	1.1
137.02350	0.7
139.03909	84.8
143.01939	1.4
147.04404	6.8
149.02338	1.5
151.03914	28.3
153.01831	0.8
153.05486	0.8
155.03409	1.5
155.93352	0.6
157.06459	1.5
159.04439	1.5
159.29726	0.5
161.02927	1.8
161.06026	0.8
163.03903	7.9
165.05469	2.3
167.03416	4.4
169.05006	1.3
169.06468	0.7
171.04477	1.6
173.06003	0.7
175.03920	15.3
177.05502	5.0
179.03404	36.4
181.04982	3.8
185.05988	1.5
187.03911	1.8
189.01578	0.5
189.05487	3.3
191.03427	9.0
193.04968	4.1
195.06447	0.5
197.06111	1.0
199.03931	1.9
201.05478	3.2
203.03403	21.3
205.04968	1.3
210.70407	0.6
211.03943	0.8
213.00098	1.5
213.05489	4.4
215.03535	1.3
217.04961	4.3
219.06458	1.1
225.05399	0.6
229.05006	5.1
231.06546	2.9
233.04482	5.1
241.05014	2.8
245.04474	10.7
251.05473	1.3
253.05011	0.9
257.04459	10.6
258.04980	0.8
259.06079	3.5
263.05521	18.0
268.94522	1.1
269.04767	2.5
271.05884	2.9
275.05484	17.8
279.89832	0.6
281.04388	0.9
287.05518	42.2
289.07077	1.6
299.05511	17.3
301.07120	0.9
303.04947	6.2
305.06589	11.8
305.10129	0.6
307.08096	9.1
311.05444	0.6
317.06564	16.7
319.08035	0.7
333.10361	1.6
407.07538	1.8
425.08676	21.2
443.04266	0.8
443.09732	10.6
449.08704	0.7
455.09299	0.7
465.10315	0.8
467.09436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03951	0.1
55.01867	0.2
55.05519	0.2
57.03442	1.6
61.02935	1.7
63.02291	0.1
65.03925	0.1
68.99787	0.3
69.03424	0.4
70.91451	0.1
70.91794	0.2
71.01360	0.1
71.04997	9.6
73.02914	0.7
75.04471	0.3
81.03409	0.2
83.04970	0.3
85.02911	12.8
87.04459	0.3
90.19328	0.1
91.03952	1.1
93.03419	0.2
95.04984	0.2
97.02903	1.1
99.04449	0.2
109.02872	0.4
109.72382	0.1
111.00824	0.7
111.04432	0.4
121.02859	0.7
123.04432	0.2
127.03911	0.7
129.05492	3.1
135.04391	0.2
137.01372	0.2
137.02354	2.6
137.03423	0.2
137.77690	0.1
145.04984	0.5
145.06497	0.1
147.06520	1.3
149.02357	0.4
153.01839	2.8
161.05968	0.2
163.03925	0.5
163.06029	0.1
165.01862	1.7
166.02699	0.2
169.13651	0.1
173.05968	0.2
183.02892	0.6
183.04462	0.3
187.03961	0.3
195.02843	0.2
201.05470	1.3
202.48131	0.1
205.05074	0.2
213.05670	0.2
219.02802	0.2
219.06535	0.2
228.04276	0.1
229.04977	3.2
239.03366	0.1
247.06007	0.6
257.04483	2.3
274.04874	0.6
275.05499	0.1
285.04001	1.2
287.05582	0.9
303.05002	100.0
304.05396	0.7
315.04831	0.2
345.05951	0.2
369.05734	0.1
449.10699	0.2
465.10434	0.7
539.72241	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	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03971	0.1
55.01864	0.2
55.05518	0.3
57.03437	3.0
61.02944	0.2
65.03931	0.1
68.99801	0.4
69.03431	0.3
69.76427	0.1
70.06589	1.0
71.01381	0.2
71.04997	21.6
71.22887	0.1
73.02914	0.5
75.04488	0.7
76.02282	0.2
81.03434	0.3
83.04977	0.6
84.04508	0.2
85.02910	22.4
86.09712	0.4
87.04471	0.6
93.03390	0.2
95.04973	0.1
97.02901	0.2
99.04429	0.2
108.38177	0.1
109.02906	0.4
109.89452	0.1
111.00803	0.9
111.04442	0.5
119.56120	0.1
120.08074	0.2
121.02859	0.8
123.04423	0.3
127.03918	0.5
129.01820	0.1
129.05489	5.9
135.04456	0.1
137.02350	2.7
145.02875	0.2
147.04445	0.3
147.06525	0.7
147.07567	0.1
147.61766	0.2
149.02367	0.4
153.00716	0.3
153.01836	2.7
153.03003	0.2
161.05936	0.3
163.03923	0.5
165.01842	1.8
166.02654	0.1
169.13344	0.3
173.05968	0.3
173.09221	0.4
177.05457	0.2
183.02914	0.7
187.03882	0.3
190.24185	0.1
191.03505	0.2
191.07191	0.2
193.05006	0.2
195.02803	0.2
201.05450	1.3
205.04979	0.3
207.02911	0.2
213.05394	0.2
219.06561	0.3
229.04968	3.3
247.06079	0.8
257.04437	2.4
262.12500	0.1
274.04761	0.8
275.05453	0.2
285.03964	1.2
286.04663	0.2
287.05603	1.6
287.08658	0.3
303.05002	100.0
304.05197	0.7
315.04846	0.2
327.04764	0.2
345.05890	0.3
409.27988	0.1
413.08395	0.3
449.10889	0.4
465.10312	16.9
633.17365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.05517	16.9
57.03435	2.2
57.07086	6.6
65.03960	1.8
67.05509	26.4
69.03434	14.3
69.07069	20.7
71.04990	2.7
71.08631	4.9
79.05494	13.4
81.03425	32.4
81.07063	32.1
83.04951	2.0
83.08629	16.9
83.39755	1.2
85.02925	10.8
91.05470	8.4
93.06502	1.7
93.07052	17.7
95.05017	1.7
95.08617	26.4
97.02902	21.3
97.06516	2.9
97.10159	9.8
99.04447	3.4
105.07047	10.3
107.08611	12.5
109.02887	12.9
109.10168	12.2
111.04450	2.5
111.11730	2.5
117.07011	3.8
119.08605	6.3
121.10155	12.4
123.08127	1.5
123.11735	2.6
127.03928	12.5
129.05482	1.5
131.08580	6.4
133.10156	6.6
135.11696	11.8
137.13303	1.6
139.03906	5.5
143.08519	2.6
145.04964	6.9
145.10120	4.1
147.11700	4.1
149.02359	5.5
149.13319	3.6
151.11226	1.8
151.14804	1.9
155.08553	2.2
159.11700	3.8
161.13298	3.6
163.14799	2.9
165.16354	2.0
167.03416	16.1
169.10121	1.8
171.11690	2.4
173.13312	2.5
183.11739	2.0
185.04474	100.0
185.13391	1.5
187.14845	1.8
199.14841	1.8
209.04463	2.0
227.05470	2.8
229.51892	1.5
241.19514	1.9
247.24257	5.8
259.20636	3.3
261.22369	1.9
263.23660	1.9
265.25284	18.9
268.12497	1.3
269.70514	1.3
275.05350	1.9
293.06573	1.8
305.24734	2.4
319.26376	2.2
329.24658	1.4
331.26334	1.8
333.24365	2.3
335.25702	4.1
345.27792	2.4
355.26395	1.4
369.32617	1.4
373.27206	6.6
391.28555	8.5
409.29391	22.4
534.84509	1.7
593.45758	2.3
611.46747	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01862	1.9
55.05516	11.9
57.03433	4.7
57.07069	2.2
65.03934	2.2
67.05509	37.5
69.03414	0.8
69.07070	13.6
69.93238	1.1
69.93629	1.9
71.04990	2.2
71.08631	1.0
77.03896	0.6
79.05497	28.4
81.07062	38.6
83.04981	1.3
83.08624	6.1
85.06547	1.5
91.04909	0.9
91.05486	26.6
93.07051	29.1
95.04959	2.8
95.08612	27.5
97.06539	2.5
97.10165	3.3
99.08102	1.4
103.05476	0.7
105.07036	27.2
107.08595	19.1
109.06499	1.0
109.10162	12.4
111.08105	1.6
112.06960	0.6
115.05460	0.9
117.07026	12.1
119.08585	24.6
121.10144	12.7
123.08053	0.9
123.11740	5.1
125.09669	1.2
128.06241	2.0
129.05478	0.9
129.07024	6.7
131.08580	18.9
133.10138	19.4
135.07964	0.6
135.11691	10.1
137.09659	1.1
137.13237	1.5
141.07016	1.8
142.07767	1.7
143.08588	9.4
144.09352	1.7
145.10133	17.9
147.11694	15.6
149.09602	0.9
149.13264	7.4
155.08536	3.0
156.09373	1.0
157.10135	10.2
159.11699	14.8
161.09682	0.9
161.13272	10.8
163.14830	2.9
165.12692	0.9
167.08624	1.1
168.09381	0.8
169.10147	5.6
171.11705	10.6
173.13260	9.7
175.14868	5.4
177.16431	0.8
181.10130	2.3
182.10962	0.7
183.11717	6.1
185.13255	8.5
187.14835	5.9
189.16428	1.2
195.11723	2.2
197.13269	4.9
199.14832	5.8
201.16423	2.6
203.18193	1.0
204.42375	0.6
207.11871	0.7
209.13275	2.0
211.14861	2.4
213.16437	2.8
215.18004	1.8
217.15965	1.2
217.19614	1.0
221.13350	1.0
223.14940	1.8
225.16428	2.4
227.18118	1.5
229.19537	1.6
231.17542	0.7
231.21126	1.7
237.16376	1.0
239.18079	1.7
241.19667	6.7
243.21202	0.8
251.18091	0.8
253.19710	1.0
257.18954	3.9
259.20593	16.4
261.22186	3.4
271.20691	0.8
277.21762	1.3
285.22156	0.8
297.22379	1.1
299.23764	1.0
311.23672	1.1
315.23373	1.4
317.24905	0.7
325.25385	1.3
327.26990	0.8
333.24289	10.4
335.25827	16.2
337.27628	1.2
339.26801	1.1
353.28430	0.7
353.84451	0.6
357.24252	0.7
383.53403	0.7
487.34579	0.8
503.37454	0.9
519.42126	5.0
527.37415	0.9
537.43451	3.3
541.38965	1.5
542.39404	1.1
593.45752	8.8
611.46710	100.0
612.47089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03959	3.2
53.86586	0.9
55.01885	2.3
55.05518	18.3
57.03443	6.7
57.07080	3.4
65.03944	2.6
67.05512	42.8
69.07079	14.4
71.05008	2.6
79.05504	35.9
81.07066	46.7
83.04994	2.3
83.08626	7.7
85.06578	1.6
88.08635	0.9
91.05490	31.5
93.07056	39.7
95.04980	3.0
95.08614	35.1
97.06560	2.7
97.10185	3.5
105.04543	1.3
105.07044	32.6
107.08606	23.5
109.06570	2.7
109.10163	12.9
111.04497	1.5
111.08107	2.4
117.07030	13.2
119.08590	23.8
119.09361	1.6
121.10156	18.8
121.10938	1.5
123.08107	1.6
123.11756	4.5
128.06236	2.2
129.07037	5.5
130.07813	1.1
131.08585	21.8
131.09506	1.1
133.10152	20.3
135.08099	1.8
135.11717	13.5
137.05986	11.4
137.06926	1.0
137.09686	1.6
137.13326	1.6
139.11214	1.3
141.07053	2.1
142.07854	1.2
143.08580	10.6
145.10139	18.8
147.11678	13.9
149.09680	1.3
149.13278	5.7
153.79060	0.9
155.08646	4.4
156.09438	1.9
157.10149	11.7
159.11711	14.7
161.09660	1.5
161.13284	13.1
163.11235	1.9
163.14880	3.7
167.08665	1.5
169.10126	6.8
171.11708	8.6
173.13275	11.7
173.14493	1.2
175.11328	1.3
175.14885	6.7
175.16899	0.9
177.16505	1.6
179.14413	1.4
181.10179	1.6
183.11815	3.9
185.04573	1.6
185.13277	7.8
187.14870	6.9
195.11729	1.7
197.13354	3.5
199.14853	4.5
201.16399	2.3
209.13364	1.6
211.14897	3.0
213.16521	3.7
215.18074	2.0
223.14987	1.7
225.16383	1.6
227.18092	1.5
229.19702	1.4
231.17581	2.9
231.21129	1.3
239.18036	2.1
241.19604	7.1
243.21269	2.4
249.18614	1.1
257.19183	3.5
259.20639	17.7
261.22168	5.7
267.21204	1.4
277.18195	8.8
277.21500	2.0
299.23825	1.3
311.23770	1.3
315.23392	2.1
317.24948	1.3
333.24222	12.0
335.25848	20.9
337.27600	1.4
348.54837	1.2
351.25781	1.3
503.37808	1.1
517.38940	1.2
519.42102	5.2
529.39679	1.1
537.43182	3.1
541.38763	1.4
565.91254	1.3
593.45813	7.1
611.46869	100.0
612.47321	2.8
627.46649	1.3
638.41827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01875	1.9
55.05512	13.9
57.03445	6.8
57.07082	2.4
64.91039	0.9
65.03953	2.4
67.05510	38.8
69.07073	14.0
69.56358	4.8
71.05002	1.9
71.08644	1.5
77.03934	1.3
79.05502	27.9
81.03432	1.6
81.07063	40.8
83.04971	1.7
83.08633	7.0
85.06532	1.5
91.05479	26.9
93.07047	34.0
95.04984	2.4
95.08613	33.3
97.06540	2.9
97.10187	3.1
105.04553	1.1
105.07037	24.8
106.82131	1.1
107.08602	22.1
107.09307	1.5
107.31548	1.0
109.06516	1.6
109.10160	11.1
109.34447	0.9
111.08096	1.2
115.05501	1.7
117.07020	11.1
119.08584	23.2
121.10144	14.2
123.11721	4.8
128.06308	1.1
129.05461	1.3
129.07030	8.5
131.08572	20.3
133.10146	18.5
135.11703	9.3
137.13280	1.3
141.06993	1.6
142.07788	2.3
143.08553	10.3
145.10138	17.3
147.11705	14.9
147.44359	0.9
149.13281	6.5
155.08566	4.3
156.09332	1.4
157.10129	8.2
159.11726	14.6
161.13245	9.3
163.14815	3.2
167.08568	1.5
169.10175	4.9
171.11674	9.8
173.13274	10.6
175.14854	6.7
181.10231	1.1
183.11688	6.0
185.13264	8.8
187.14818	5.2
189.12708	1.2
189.16441	2.6
195.11720	1.9
197.13300	4.0
199.14818	6.1
201.16438	3.2
209.13289	2.0
211.14865	3.4
213.16464	3.9
215.18001	2.4
217.19650	1.2
223.14833	2.4
225.16469	2.4
227.18025	1.2
231.21060	1.7
237.16542	1.6
239.17935	2.2
240.29724	1.0
241.19589	7.1
243.21121	1.6
251.17920	1.0
253.19472	1.3
257.19113	2.9
259.20593	16.0
261.22235	2.9
267.05933	0.9
271.20551	1.3
275.20129	1.3
315.23306	1.8
317.24799	1.6
331.22894	1.5
333.24231	10.3
335.25803	19.2
337.27139	1.6
364.01291	1.2
449.33563	1.5
519.42175	6.0
537.43097	3.2
541.38678	1.2
593.45764	8.7
611.46692	100.0
612.47070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.49643	0.7
53.51743	0.6
55.01867	0.7
55.05514	1.4
57.03430	1.2
60.04518	2.0
61.02930	2.5
67.05515	2.1
69.03436	3.7
69.07069	1.9
70.06584	0.9
70.99419	0.6
71.04996	0.6
71.52864	0.9
72.04522	1.1
73.02919	1.0
79.05493	2.1
80.05023	1.2
81.03419	1.3
81.07067	4.0
83.08620	0.9
84.04575	0.8
85.02913	7.1
88.04006	3.0
89.38600	0.8
91.05469	1.0
93.07054	4.4
94.06577	1.4
95.04957	0.9
95.08619	3.2
97.02910	3.0
97.06535	0.7
99.04546	0.8
102.71431	0.6
105.07042	1.7
107.08588	2.9
108.08139	3.0
109.10156	1.1
110.09723	1.0
118.05019	1.0
119.08600	1.3
122.09677	6.3
123.04399	1.0
124.11260	1.1
127.03863	1.1
133.10167	1.3
134.09627	3.5
135.04413	0.7
135.11734	2.0
136.11232	3.3
140.10742	1.3
151.03943	1.4
151.13583	4.1
152.10648	1.1
155.03427	2.1
162.12842	0.8
163.03893	0.9
163.13594	0.7
164.14409	3.6
166.15948	1.1
168.06525	0.9
169.04980	3.3
176.14381	1.6
177.05542	2.3
178.15891	1.6
179.03378	4.7
181.05043	2.5
186.11287	2.3
194.15466	3.0
197.04459	20.2
198.11369	1.0
203.03389	0.9
209.04512	0.9
210.11205	1.0
210.14949	0.8
211.06010	1.4
221.04536	1.1
223.06087	1.6
224.12840	1.3
225.07703	0.8
240.15959	27.6
263.09335	0.9
265.10724	11.0
266.17633	0.8
283.09940	0.8
301.10855	1.9
303.12326	1.2
316.15192	0.7
327.16150	0.8
339.10855	1.0
345.17065	2.2
408.20218	1.5
437.26962	0.7
450.21265	14.4
452.65305	0.8
495.84842	0.8
509.21332	0.8
612.26544	100.0
613.27289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33083	2.8
53.03934	7.9
55.05514	19.6
57.03442	19.0
57.07071	6.1
65.03949	3.3
67.05183	4.3
67.05515	68.0
68.05841	3.3
68.99799	2.5
69.03422	8.7
69.07074	22.1
71.05001	6.5
79.05503	50.3
81.03429	81.8
81.07065	65.2
82.07406	5.9
83.04984	9.8
83.08631	25.5
85.06544	5.7
87.04451	3.4
91.05482	36.6
93.07056	55.6
94.07397	3.2
95.04961	23.1
95.08614	51.8
97.02885	4.8
97.06547	6.7
97.10179	8.1
105.07034	33.2
107.04960	4.1
107.08599	26.9
109.06510	3.5
109.10178	29.0
111.08070	7.4
117.06995	7.2
119.08597	28.0
120.08860	3.7
121.10125	21.3
123.08056	3.0
123.11668	7.9
125.09619	3.6
129.07013	11.4
131.08589	21.4
133.06485	2.8
133.10138	14.8
135.11702	17.8
143.08578	4.3
145.10100	8.1
147.08066	4.1
147.11685	14.3
149.09656	6.4
149.13261	8.1
155.14365	4.0
157.10115	9.8
159.11697	5.5
160.33141	2.9
161.13315	5.3
163.14825	3.7
165.12755	3.8
167.03477	3.6
173.13223	5.0
175.11253	9.4
175.14610	3.0
176.72374	2.8
185.04465	11.5
185.13298	4.4
186.04810	11.3
187.04950	10.0
187.14900	4.0
189.11177	3.8
193.12178	17.8
197.13248	3.7
227.12805	5.9
243.21144	4.4
261.22299	13.8
261.24963	2.9
267.15967	100.0
301.25244	3.9
335.25848	79.1
336.26053	3.4
435.32806	5.2
453.34021	6.3
527.37421	51.5
545.38519	22.3
612.27484	5.8
612.47406	22.2
612.55920	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02381	0.5
53.03947	1.8
55.05265	0.9
55.05513	11.0
57.03442	3.3
57.07059	2.5
65.03943	1.6
67.05505	35.0
69.07069	11.3
69.81039	2.4
71.04990	1.2
79.05491	17.4
81.07059	38.0
83.04985	1.2
83.08627	6.2
85.06538	1.5
91.05479	15.4
93.07046	22.9
95.04956	1.6
95.08607	30.8
97.06539	1.9
97.10160	2.9
99.08108	1.2
105.04517	0.6
105.07031	16.6
107.08585	15.1
109.06532	0.6
109.10152	16.5
111.08072	1.3
111.11710	1.0
113.09685	0.7
117.07021	6.3
119.08576	15.7
121.10146	15.8
123.11712	7.2
125.09525	0.7
129.07021	2.7
131.08559	12.8
133.10130	14.2
135.11694	10.9
137.09604	0.6
137.13258	2.6
141.06998	0.6
143.08540	3.6
145.10123	11.6
147.11687	11.9
149.09550	0.6
149.13237	6.2
151.14795	0.8
155.08577	1.4
157.10147	3.7
159.11708	9.8
161.13248	7.4
163.11259	0.7
163.14803	4.1
165.16478	0.6
165.83405	0.6
169.10161	1.9
171.11713	4.5
173.13275	8.2
175.14801	4.5
177.16405	1.8
181.10136	0.7
183.11717	1.2
185.13281	4.3
187.14830	4.4
189.16400	1.2
191.17970	1.1
195.11673	0.9
197.13280	1.4
199.14894	1.4
201.16423	2.3
203.17885	1.2
211.14845	0.8
213.16483	1.2
215.17984	1.1
217.19527	1.9
229.19582	0.7
231.21138	1.0
241.19791	2.5
243.21104	2.7
245.19316	0.8
247.20589	0.7
259.20602	7.9
261.22137	8.5
263.23709	1.4
273.22263	0.8
277.21576	0.9
279.23325	1.0
285.22040	0.8
287.23776	1.6
295.22821	0.8
297.24521	0.6
299.23633	0.7
300.48932	0.5
301.25317	1.1
313.25345	0.8
315.23288	1.3
317.24838	1.6
321.24371	0.6
325.25507	0.8
327.26947	1.0
333.24237	5.3
335.25793	14.6
337.27380	7.7
347.25986	0.6
355.29916	0.9
361.27426	0.6
423.31598	0.7
447.31708	0.7
451.36221	0.7
489.35748	1.4
503.37253	1.6
505.39099	0.9
515.37762	0.6
517.39386	0.6
521.43622	4.3
529.38977	0.7
531.40338	0.9
539.44580	3.0
543.40454	2.1
557.41650	0.8
595.47119	9.8
613.48248	100.0
614.48865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02368	0.7
52.27403	0.6
52.42271	0.6
53.03950	2.3
55.05514	12.6
57.03439	3.9
57.07071	3.5
58.72862	0.6
65.03944	2.2
67.05508	39.4
69.07074	14.4
71.03130	1.2
71.05014	1.1
71.08641	1.4
71.61996	0.6
79.05498	25.1
81.07060	43.7
83.04977	1.3
83.08624	7.8
85.06551	1.5
90.22713	0.5
91.05480	17.2
93.07050	29.1
95.04979	1.7
95.08611	35.5
96.01920	0.6
97.06545	2.2
97.10149	3.5
99.08096	1.3
105.04520	1.2
105.07037	18.2
107.08601	16.8
109.06524	0.8
109.10157	19.8
111.08113	1.7
111.11715	0.6
117.07019	7.7
119.05965	0.6
119.08588	16.2
121.10143	15.0
123.08127	0.9
123.11697	7.2
125.09655	1.1
129.07028	2.3
131.08560	14.8
133.10132	15.4
133.11098	1.0
135.11693	9.9
137.06004	1.1
137.09612	0.9
137.13281	2.6
141.06976	1.1
143.08575	5.3
145.10130	12.9
147.11699	11.0
148.90559	0.7
149.13272	6.0
151.11179	0.9
155.08572	1.5
157.10120	4.8
159.11716	11.5
161.13263	8.3
163.14876	2.7
165.16566	0.7
169.10138	1.4
171.11691	4.9
173.13272	10.1
175.14856	4.7
177.12740	0.9
177.16374	1.2
179.14360	0.8
183.11771	2.2
185.13272	3.5
187.14798	4.9
189.16373	1.7
191.14363	0.8
191.17947	0.7
197.13310	1.2
199.14859	3.1
201.16328	3.0
203.18001	1.9
211.14909	1.5
213.16505	1.7
215.18144	1.4
217.19635	1.2
219.17461	0.8
227.18004	1.0
231.21263	0.7
239.17953	0.9
241.19621	2.1
243.21240	1.4
245.22772	1.1
247.20570	1.1
249.18767	0.7
259.20612	5.7
261.22131	6.5
263.23776	1.3
267.21213	0.7
273.22202	0.7
275.23740	0.7
277.21710	2.2
285.21985	1.2
287.23651	1.2
291.23199	0.8
295.22522	0.8
299.23752	1.3
313.25247	1.4
315.26767	0.8
317.24915	1.1
323.26163	0.9
327.26993	0.9
333.24194	4.5
335.25812	12.1
337.27429	7.3
349.27325	1.4
355.30106	1.1
489.35736	1.9
503.37082	1.4
515.36835	1.0
517.38806	1.1
521.43701	4.2
539.45032	3.1
543.40540	1.8
595.47247	10.8
613.48291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25527	0.5
68.88097	0.5
70.65709	0.5
71.51555	1.1
85.02904	0.7
118.10814	0.5
125.30502	0.5
136.06190	100.0
139.59843	0.6
150.43610	0.6
268.10413	33.2
321.88647	0.7
454.53693	0.7
610.81610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
57.07078	5.7
58.06608	1.9
59.24058	0.2
65.03925	0.9
68.05024	0.3
69.07082	0.3
70.06595	14.6
71.08630	2.1
72.87778	0.2
79.05463	0.3
84.08148	0.3
85.10155	0.5
88.07632	17.0
98.20730	0.7
102.09181	13.6
103.30225	0.2
105.03422	0.3
107.08579	0.2
112.49770	0.3
120.00995	0.3
128.31232	0.2
131.04950	0.6
147.04457	0.4
149.02344	36.8
175.03883	0.5
193.04964	43.9
197.02086	0.2
212.23753	0.4
219.06543	0.7
219.55489	0.2
225.05524	1.2
256.26352	36.4
269.04431	1.7
297.03979	2.4
313.07098	2.5
333.31223	0.3
341.06519	8.7
359.07593	5.2
372.07346	0.2
385.09164	44.1
386.09515	0.3
596.31641	0.3
603.07227	0.2
614.33215	100.0
615.33459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.07082	5.1
58.06594	1.8
65.03944	0.4
69.94350	1.8
70.06599	14.8
71.08632	2.6
72.08144	0.5
77.33350	0.4
81.07045	0.5
85.10175	0.9
88.07639	17.5
93.07055	0.4
98.21518	0.5
99.16994	0.4
102.09190	12.5
105.07040	0.5
117.73862	0.4
149.02354	34.4
149.03293	1.4
175.03941	1.4
193.04977	43.9
219.06520	1.2
225.05510	1.3
234.18878	0.4
256.26367	37.3
259.61258	0.4
269.04556	1.6
297.03928	2.2
313.07144	2.6
341.06546	8.9
341.10318	0.7
359.07669	5.9
384.01035	0.4
385.09195	42.0
596.32446	0.5
614.33258	100.0
615.33521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14290	1.5
53.03938	4.5
55.01870	3.6
55.05516	19.7
57.03448	16.5
57.07064	3.7
57.28310	1.4
65.03941	2.0
67.05511	49.3
69.03410	3.2
69.07078	21.9
71.04988	2.1
71.08630	2.9
79.05502	20.9
81.03425	73.5
81.06586	2.7
81.07063	55.5
81.49245	1.2
83.04972	6.1
83.08159	2.1
83.08627	28.6
85.06586	1.6
86.82304	1.4
89.06044	7.0
91.04974	2.3
91.05492	25.5
93.07054	21.9
95.04979	21.7
95.08620	40.9
97.02877	2.5
97.06547	4.7
97.10185	10.9
99.08091	1.9
105.07044	18.1
107.04960	5.7
107.08607	13.3
109.06519	2.9
109.10168	18.2
111.08092	8.1
115.05473	2.8
117.07006	3.4
119.08586	20.3
121.06516	3.9
121.10147	11.1
123.08070	2.8
123.11738	6.8
123.16393	1.3
125.09635	2.5
129.07005	9.1
131.08630	8.7
133.06454	2.5
133.08633	3.9
133.10147	7.8
135.08084	3.3
135.11696	6.0
137.09682	2.9
142.07808	2.5
143.08548	3.9
145.10121	4.8
147.08061	4.4
147.11697	7.4
147.73114	1.4
149.09625	4.5
149.13248	3.1
151.11192	1.5
156.37640	1.5
157.10181	9.2
159.11777	2.1
161.13261	3.9
163.11182	1.9
163.14862	2.3
165.12762	2.6
173.13235	1.6
175.11194	8.3
175.14909	2.0
177.11247	2.1
183.11693	1.7
184.78932	1.5
187.14912	1.7
193.12268	20.6
211.13382	3.3
227.12695	2.1
245.22606	2.4
249.14935	3.6
258.61942	1.5
263.23688	4.3
267.15942	100.0
303.26752	2.5
337.27402	86.7
338.99380	1.5
375.43353	1.5
398.17026	1.6
415.25394	3.3
425.78711	1.5
437.34537	1.8
455.35068	4.5
473.36267	4.1
529.38940	75.0
530.39050	2.1
534.33380	3.7
547.40002	30.7
614.39282	3.7
614.48474	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	615.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03941	3.2
55.01880	10.0
55.05513	67.1
57.07080	7.9
59.04986	3.6
65.03938	3.0
67.05504	22.2
69.03429	15.6
69.07071	10.4
69.18129	4.2
69.18552	9.3
71.04997	10.0
79.05497	15.8
81.07054	16.5
83.04984	19.5
83.08620	100.0
85.02892	3.5
85.06544	8.8
87.04456	5.7
89.06036	13.6
89.16699	1.4
90.06352	2.3
91.05482	27.2
93.07044	29.0
95.04973	12.2
95.08609	32.7
95.39884	1.3
97.06536	52.2
97.10183	2.0
99.04454	1.8
103.05470	1.3
105.07034	36.8
107.07869	2.9
107.08597	52.6
109.06512	7.2
109.10165	12.7
111.04430	1.8
111.08080	10.0
113.05992	3.3
113.09651	24.2
115.05438	3.2
116.06291	2.0
117.07028	8.3
119.04976	2.8
119.07805	2.6
119.08588	33.3
121.06508	8.4
121.09340	1.6
121.10162	19.7
123.08083	16.2
123.11745	1.6
125.09634	28.9
127.07536	2.1
128.06229	8.0
129.06998	11.8
130.07764	4.2
131.08582	18.6
133.06450	2.8
133.08620	8.7
133.10144	17.0
134.08931	2.0
135.08032	4.3
135.11690	5.5
136.08844	2.1
137.09628	7.0
139.11179	28.3
141.06984	3.8
141.09100	1.8
142.07770	13.7
143.07526	1.5
143.08571	22.2
144.09361	3.4
145.06482	3.3
145.10121	28.2
147.08070	3.7
147.11687	10.8
149.09599	6.3
151.11237	2.7
153.06990	1.8
153.09106	3.4
153.12772	9.4
154.07793	3.2
155.08617	13.0
155.10666	19.4
156.09415	8.9
157.10130	33.5
159.08052	12.0
159.11679	10.6
161.09631	6.1
161.13254	3.5
163.11180	3.8
165.07031	4.2
166.07776	2.1
167.08531	5.9
167.10655	2.3
167.14264	2.0
168.09344	5.1
169.10120	20.4
170.10873	3.4
171.07990	2.9
171.10260	2.7
171.11684	20.1
172.08818	1.9
173.09604	5.7
173.13254	5.9
175.11183	4.9
177.11249	4.0
177.12712	1.7
178.07829	1.8
179.08598	7.3
179.10654	3.9
179.14273	9.2
180.09328	4.1
181.10123	11.2
181.12227	41.5
182.10910	4.6
183.08102	1.7
183.11699	17.1
184.12346	2.0
185.09627	5.0
185.13281	6.4
187.11180	4.1
189.12735	3.5
191.14366	1.7
192.09334	3.5
193.10213	6.3
193.11794	1.5
194.10945	4.5
195.11693	15.2
195.13782	8.6
196.12459	7.0
197.09605	2.4
197.13286	15.6
198.10562	1.6
199.11172	3.7
199.14813	4.9
201.12808	4.2
203.14270	1.9
205.10072	2.9
205.15909	2.9
206.10905	5.3
207.11688	9.6
207.13646	2.0
208.12486	6.2
209.09474	1.5
209.13249	18.2
209.15182	2.8
211.11240	1.4
211.14851	8.0
213.12749	3.3
213.16405	2.2
214.13495	1.4
215.14299	5.4
219.11656	4.2
219.13666	1.7
220.12448	3.6
221.13252	15.3
221.15382	21.0
222.13971	3.6
223.11232	3.2
223.12932	1.8
223.14943	12.1
225.12775	3.0
225.16418	1.6
227.14326	4.4
231.11728	3.6
232.12399	1.9
233.13232	4.2
233.15356	5.7
235.14861	8.7
237.12755	1.7
237.14792	4.7
237.16705	2.9
239.14355	3.2
241.15955	4.5
243.11819	2.1
243.17487	3.1
245.13187	3.4
245.15366	3.2
246.13977	6.3
247.14740	3.8
247.16959	9.0
249.16452	4.6
251.14284	1.7
251.17923	1.8
253.15829	3.1
257.18985	3.2
259.14700	3.5
259.17130	2.9
261.16354	10.3
263.18039	2.9
265.15924	1.8
269.19000	2.7
271.17084	1.9
272.15387	1.5
273.16205	3.3
273.18744	3.1
275.17896	3.9
277.19336	2.9
281.19077	3.2
283.16995	2.0
285.15897	1.6
285.18546	16.4
287.17850	4.1
287.20450	2.1
289.19421	1.9
297.18549	2.9
298.19287	11.2
299.20154	22.3
305.19016	2.5
310.19205	1.3
311.20038	7.5
323.20026	5.3
324.20773	2.8
329.22595	2.0
337.21539	2.6
343.58615	1.4
351.23087	3.5
353.22241	1.5
363.23218	5.1
364.24088	6.6
365.24774	2.2
371.23557	2.5
375.23419	3.3
377.24643	3.0
389.24570	7.3
391.25107	1.5
415.25241	2.0
416.25687	2.9
419.96146	1.6
429.27856	11.4
443.29678	1.4
445.30951	1.8
451.28738	1.9
491.31540	1.8
509.32455	3.6
523.33899	2.7
557.36456	6.3
597.39380	14.4
615.40393	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39707	1.3
53.03946	2.4
55.01873	6.8
55.05515	66.5
57.03452	2.1
57.07077	7.5
59.05008	1.5
65.03936	2.1
67.05225	1.9
67.05515	19.1
69.03436	13.3
69.07063	8.0
71.05006	8.4
79.05118	1.8
79.05505	13.9
79.98710	1.5
81.07053	15.0
83.04984	17.2
83.08622	100.0
85.02905	2.0
85.06554	11.8
87.04471	6.9
88.67113	1.4
91.05489	24.3
93.07049	32.1
95.04983	12.6
95.08612	32.4
95.09185	3.2
97.06538	46.4
97.10191	2.4
103.05470	1.8
105.07039	35.3
107.04961	2.3
107.08603	54.8
109.06519	5.0
109.10167	13.8
111.08101	7.4
113.06015	2.9
113.09658	25.5
115.05451	3.7
117.07044	9.5
119.04947	1.6
119.08592	31.7
119.09350	1.7
121.06516	8.1
121.10146	18.0
123.08081	19.2
123.11723	1.3
125.09642	26.4
127.07568	1.9
128.06215	4.5
129.07018	11.4
130.07787	4.3
131.08595	21.0
131.35240	1.4
133.10153	17.4
135.08058	5.0
135.11722	4.1
136.08829	1.8
137.09644	6.8
139.11183	33.4
141.06932	3.8
141.09108	2.4
142.07796	12.5
143.08565	22.9
144.09383	5.1
145.06537	4.0
145.10136	27.7
147.08020	3.5
147.11696	10.7
149.09607	5.9
153.07013	2.9
153.09064	3.5
153.12756	8.4
154.07732	2.2
155.08641	10.3
155.10677	23.1
156.09366	9.8
157.10149	33.9
159.08104	8.5
159.11725	11.0
161.09637	5.2
161.13315	2.4
163.11186	5.1
165.07030	5.8
165.09186	1.7
166.07820	3.0
167.08626	4.7
167.10669	2.4
167.14401	1.6
168.09412	4.9
169.10146	20.9
170.10905	4.3
171.08058	3.7
171.11682	19.0
173.09648	8.9
173.13269	5.3
175.11246	4.5
177.12785	3.1
179.08588	8.5
179.10678	4.0
179.14328	8.0
180.09302	2.7
181.10170	11.0
181.12244	45.9
182.10944	3.3
183.08096	2.0
183.11702	14.7
185.09697	4.5
185.13240	8.1
187.11253	3.1
189.12750	5.2
192.09407	2.2
193.10144	7.2
194.10951	7.1
195.11722	19.5
195.13802	10.9
196.12483	4.4
197.09648	2.6
197.13264	14.8
199.11156	4.2
199.14771	3.7
201.12750	3.3
203.14310	2.4
205.15932	2.3
206.10947	5.6
207.11699	10.2
207.13654	2.8
208.12401	3.5
209.13318	14.6
210.13992	2.4
211.11143	3.2
211.14841	7.1
213.12758	3.6
213.16324	3.0
215.14378	6.6
219.11707	4.8
219.13675	2.2
220.12366	3.7
221.13277	13.0
221.15422	25.0
222.14145	3.0
223.11276	2.5
223.14944	10.3
225.12746	4.0
225.16522	2.8
227.14322	3.6
231.11716	6.0
231.17273	2.1
232.12645	3.5
233.13275	3.9
233.15375	8.1
234.13942	2.9
235.14803	9.2
237.12682	3.3
237.14830	4.8
237.16721	2.5
239.14432	2.9
241.16029	2.1
243.11902	1.8
243.17517	2.5
245.13205	3.6
245.15462	5.6
246.14026	4.9
247.14781	4.8
247.16998	10.2
249.16470	4.1
251.18149	2.4
253.15790	1.7
257.13126	2.0
257.18936	3.8
259.14645	2.6
259.17065	3.7
261.16367	13.0
263.17966	3.8
265.15768	2.6
269.18988	2.8
271.17218	2.7
273.16168	3.7
273.18695	4.5
275.18039	4.7
277.19321	2.2
281.19095	4.0
283.16846	2.1
285.18518	10.5
287.17838	3.6
287.20438	2.5
297.18573	5.6
298.19363	10.6
299.20126	22.5
301.19431	2.6
311.20023	8.5
312.21127	1.9
323.20206	7.3
324.20871	2.5
325.21558	2.3
337.21393	3.7
339.22946	1.6
347.22409	2.5
351.23175	2.9
363.23199	4.2
364.24048	7.9
371.23441	2.2
377.24692	3.0
389.24628	4.9
429.27774	12.8
447.28992	1.7
465.30014	2.1
483.30988	2.7
491.31662	2.4
497.34329	1.8
509.32764	2.4
523.34082	3.8
535.34351	2.3
557.36157	6.8
597.39606	12.6
615.31006	2.6
615.40503	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
53.65104	1.2
55.01883	7.0
55.05509	22.1
57.03432	4.6
58.99590	2.4
59.04995	1.8
61.02932	1.5
67.05172	2.2
67.05509	24.3
68.81322	1.3
69.03436	6.8
69.07071	8.7
71.04974	2.5
71.09750	3.6
74.09694	1.7
76.02232	25.4
79.05501	25.1
81.03421	40.9
81.06590	2.5
81.07057	39.0
83.04969	16.3
83.08633	19.5
84.04505	5.6
85.02909	3.8
85.06541	2.0
91.05486	21.6
93.07052	17.9
95.04967	30.0
95.08609	12.6
97.02897	3.0
97.06503	2.5
97.10159	12.4
98.56622	1.3
99.08085	2.7
105.07034	15.5
107.04978	6.7
107.08597	13.5
109.06535	4.0
109.10160	6.4
111.04460	5.4
111.08102	8.4
115.78265	1.4
116.01682	4.9
117.07029	6.1
119.04925	2.2
119.08595	17.3
121.06517	3.9
121.10153	8.9
123.04471	3.0
123.08058	15.7
123.11663	2.7
125.09639	9.4
129.07010	8.2
130.05017	3.2
131.08566	13.8
133.06525	3.3
133.10121	7.1
133.79697	1.5
135.08087	2.8
135.11687	3.6
137.09653	3.8
142.03203	3.3
143.08606	2.3
144.01163	5.0
145.10098	7.4
146.81555	1.7
147.08081	6.9
147.11681	9.0
149.09636	5.1
153.09186	1.6
153.12839	2.1
157.10117	9.6
159.11670	2.6
161.09590	2.6
162.02255	14.6
163.11214	6.1
165.09116	3.7
165.12755	1.7
169.12276	1.6
170.02638	1.8
171.11778	2.2
175.11206	8.6
175.12541	1.4
179.03412	2.6
179.04855	28.9
181.12332	3.2
187.13364	2.5
189.11243	7.3
191.10658	2.2
193.12247	33.9
193.13890	2.7
205.12294	2.0
211.13303	100.0
223.13283	12.4
227.12822	5.0
233.05927	5.8
239.12801	5.2
255.17426	2.6
273.18484	21.4
291.19553	58.3
308.09094	39.5
309.20578	16.7
327.12274	1.3
344.25226	1.5
350.51172	1.5
385.24438	1.5
407.03210	2.0
542.24377	1.8
605.57916	1.5
616.28595	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	616.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23291	1.1
53.00540	1.3
53.03940	2.3
54.03693	1.2
54.48922	1.3
55.01869	2.3
55.05521	8.0
56.05031	2.8
57.03431	1.7
57.07071	1.3
58.99597	11.3
59.20310	1.1
60.04512	1.3
64.86792	1.2
65.03933	1.5
67.05511	23.2
69.03426	3.8
69.07082	8.3
70.02962	19.2
70.06580	2.4
71.04997	4.3
74.00661	4.6
74.02444	2.4
76.02238	36.4
76.04010	8.4
79.05497	14.2
80.05037	1.9
81.03424	3.9
81.07066	22.7
83.04989	5.4
83.06102	4.1
83.08628	6.2
84.04507	12.3
85.02911	2.1
85.06541	1.6
86.00648	3.9
86.99051	4.3
87.02720	1.7
88.02227	3.9
88.03990	2.0
91.05492	18.9
91.98852	1.4
93.07053	14.9
95.04965	5.5
95.08611	7.0
97.01116	5.6
97.06524	2.3
98.09692	1.8
99.05587	6.7
99.08059	1.3
100.02235	1.4
102.00124	4.0
105.07047	17.9
107.04956	4.4
107.06107	2.3
107.08602	18.2
109.06541	3.0
109.07694	1.6
109.10164	21.4
111.02634	1.4
111.08076	3.4
112.02174	3.2
113.04261	1.5
114.00125	1.5
116.01688	21.5
116.03439	2.9
117.06988	4.1
119.08572	5.6
121.06519	3.2
121.10076	1.9
123.08049	1.7
123.11716	2.3
125.04207	1.8
125.07127	1.4
126.03722	1.5
128.01707	3.2
129.02203	1.3
129.06657	3.1
130.05032	6.7
131.08594	3.2
133.10138	27.8
135.08075	4.4
135.11691	3.0
137.09644	2.9
142.03261	6.4
143.08588	2.2
144.01138	9.3
145.06099	100.0
145.10106	3.3
147.11690	2.4
149.09627	3.0
151.05775	4.2
151.11189	12.0
153.06622	1.9
155.03360	3.4
159.11777	2.1
161.09613	4.4
162.02228	26.7
163.11191	1.7
169.06902	3.1
169.12218	5.3
170.02707	2.6
171.11714	1.4
177.03311	5.0
179.03459	2.4
179.04865	42.4
179.10699	1.3
187.05455	3.0
187.07889	1.5
189.12836	1.5
197.04491	2.9
199.07159	4.6
211.07149	1.7
212.11017	2.1
215.12753	4.1
223.06105	1.5
223.13367	1.8
227.10913	1.5
227.17549	1.3
229.54852	1.6
233.05908	7.4
236.11134	2.6
245.05942	2.2
250.12634	1.6
254.12187	7.2
268.13657	3.1
273.18567	6.1
274.10333	5.0
291.19571	15.4
297.12662	1.6
308.09152	5.8
309.20660	10.7
311.14291	2.2
319.15479	2.1
320.15741	3.1
331.17108	1.7
339.13757	5.1
348.19968	3.4
357.14737	3.7
361.16629	1.5
362.16785	3.4
366.21048	8.5
371.16336	5.9
384.22067	15.2
435.20032	2.8
436.20395	8.1
451.22540	15.2
469.17175	2.2
469.23709	41.0
487.24667	9.4
541.25610	7.7
598.27539	1.7
616.29297	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	617.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.2
67.05479	1.0
68.99784	1.5
69.37933	4.1
69.38343	2.2
70.06596	1.8
84.08138	1.2
85.02872	1.0
86.64240	0.9
95.04970	2.4
107.57597	0.9
111.04459	2.9
119.04944	4.1
123.04433	59.1
127.03930	1.4
133.06485	0.9
139.03908	100.0
143.04877	2.2
147.04417	20.0
151.03935	3.5
153.05486	1.2
161.05997	6.5
165.05482	18.4
169.04994	1.2
177.05438	1.3
179.07062	3.8
189.05455	1.9
203.07042	1.0
207.06544	7.6
249.07486	1.2
273.07562	2.5
291.08636	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20005	0.6
53.00310	1.6
53.03950	3.3
55.01869	3.0
55.05524	0.8
57.03444	8.0
61.02917	2.0
65.03939	0.7
67.05502	1.5
69.03432	96.6
71.01358	2.6
71.04976	3.5
71.52844	1.3
73.02923	2.7
79.05489	1.2
81.03420	14.5
81.07073	0.7
83.01331	2.0
85.02908	55.4
87.04455	1.7
91.05485	7.4
95.04992	2.4
97.02894	27.0
99.00825	10.5
99.04466	8.7
101.02393	4.8
105.41370	0.8
107.04961	5.1
107.18871	0.7
109.02885	25.4
115.03930	2.4
117.01851	5.1
119.04954	11.6
119.08624	0.7
121.02904	1.5
127.03921	100.0
137.02353	16.9
137.03392	1.1
145.04967	41.5
145.52234	0.7
147.04413	15.6
155.03418	1.9
164.97046	0.8
195.08015	1.0
197.04431	1.0
209.09589	0.8
212.08199	1.3
212.33508	0.7
213.09103	10.7
225.03886	2.2
237.09106	1.8
243.04984	4.8
253.07002	1.4
261.06073	7.9
263.05411	1.4
265.08734	3.4
281.06631	0.9
291.08987	0.7
293.08002	3.4
294.76059	0.7
299.07614	9.4
301.03311	1.9
311.09006	2.9
319.04340	2.6
327.07025	1.4
331.07797	1.6
339.06943	1.0
359.09760	1.2
376.63330	0.7
387.09125	2.1
405.05020	1.0
405.10291	17.2
437.19061	0.7
455.13318	1.2
460.72769	0.8
542.26575	0.8
617.12677	19.3
617.28333	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	617.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01866	2.9
55.05509	2.9
57.03436	3.3
57.69537	1.2
61.02938	2.0
67.05506	7.8
68.99813	1.1
69.03437	7.9
69.07068	1.4
71.04983	2.6
72.53097	1.1
73.02930	2.8
78.18273	1.1
79.05490	3.4
81.03423	12.4
81.07056	8.4
83.08633	1.1
85.02915	16.8
87.00822	8.4
91.05483	3.4
93.07059	2.7
95.04978	1.8
95.08609	2.0
97.02905	9.9
97.06533	2.4
99.04460	3.8
105.01886	3.0
107.08584	1.1
109.02892	7.9
109.06573	1.3
109.10143	2.8
117.01842	1.7
119.08578	1.5
121.06512	2.6
121.10150	2.6
127.03935	9.9
130.09125	1.0
131.08575	1.7
133.06500	1.1
133.10167	2.6
135.04448	1.9
137.05959	2.5
144.92700	1.2
145.04976	4.1
151.11153	1.2
153.05421	1.2
157.10124	1.4
159.02933	6.2
159.08034	1.9
161.09680	2.0
165.05450	2.7
181.04929	5.5
201.12761	4.8
205.12465	1.2
209.09529	1.2
211.07568	1.5
223.07634	1.1
224.08301	1.9
225.09122	6.9
227.07024	6.6
228.07709	1.2
237.09251	1.6
240.07719	6.2
241.02908	1.2
241.08560	2.9
249.09126	1.9
251.06992	1.9
253.08540	9.3
255.10187	3.5
256.07407	5.2
265.08636	2.6
267.10123	2.7
269.08154	2.9
270.08875	67.4
271.09659	69.5
271.68750	1.2
276.07819	1.4
277.08514	3.8
278.09494	1.6
281.08154	5.2
281.11630	1.5
282.08823	4.9
283.09644	14.9
289.08725	2.5
290.09476	1.7
291.10187	4.1
292.07269	1.8
293.08063	2.9
294.08984	2.7
295.09683	23.3
299.09091	1.3
307.09695	10.9
308.10428	5.0
309.11301	12.2
313.10587	1.9
319.13486	2.0
323.16431	3.2
325.14362	13.3
325.17932	2.0
333.14841	12.8
351.15921	100.0
369.16983	94.7
397.25958	2.6
411.17868	2.3
455.30112	2.1
459.17834	1.4
477.18713	1.3
502.20056	1.2
567.31750	1.2
617.30078	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
55.05507	23.3
57.03440	10.3
67.05511	78.6
67.61280	9.4
68.42716	9.6
69.82713	54.7
71.00311	10.9
71.04998	16.8
76.35616	10.0
79.05486	27.2
81.03409	34.6
81.07058	51.0
83.08624	13.6
85.02925	18.1
91.05486	35.1
93.07054	17.5
94.06356	10.4
97.02905	22.4
99.08494	10.0
107.08588	14.3
109.10191	52.0
119.08571	15.0
127.03951	18.5
129.07007	18.4
131.08597	15.2
179.47983	9.5
270.08817	70.0
271.09726	62.0
283.09756	21.3
287.12820	11.1
295.09558	18.0
307.09683	12.4
325.14154	14.7
333.14734	14.8
351.15817	98.2
369.16965	100.0
397.25897	24.7
455.29770	19.8
617.29022	31.8
623.55237	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	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52769	3.0
53.03943	8.5
55.01877	6.4
55.05275	5.2
55.05521	83.0
57.07071	11.7
60.71278	3.6
65.03946	5.3
67.05509	29.5
69.03433	12.4
69.07085	17.3
69.20423	32.6
71.04991	7.6
79.05508	27.3
81.07069	25.7
83.05000	27.7
83.08630	100.0
85.06548	6.7
91.05492	35.0
93.07054	43.0
95.04995	17.7
95.08619	31.9
97.06539	31.1
97.36546	2.9
100.80963	3.1
105.07050	68.4
107.07890	4.0
107.08613	64.6
109.06538	9.4
109.10171	26.2
111.08067	8.6
113.09670	19.4
115.05453	5.1
117.07022	13.5
119.08597	54.2
121.06499	12.3
121.10165	38.3
123.08093	17.9
123.11723	4.2
125.09640	32.9
128.06212	12.3
129.06993	12.2
130.07759	6.4
131.08574	33.4
133.10138	29.2
135.08052	9.0
135.11719	7.5
137.09639	5.7
139.11205	20.2
141.06990	8.0
142.07829	23.3
143.08594	36.7
144.09331	5.5
145.10135	52.5
147.08014	6.1
147.11707	9.2
149.09590	14.6
153.12730	5.0
155.08551	21.4
155.10632	16.1
156.09329	14.9
157.10155	49.0
158.10764	4.7
159.08049	13.8
159.11697	18.4
161.09637	12.7
163.11136	6.7
165.07028	8.5
166.07770	5.1
167.08548	9.8
167.10684	20.1
168.09319	11.4
169.10132	24.1
170.10887	4.8
171.11714	24.9
171.70012	3.0
173.09596	4.3
173.13251	18.8
175.11351	4.1
175.14833	5.0
179.08571	11.0
179.14330	5.0
180.09355	6.0
181.10101	14.4
181.12245	28.4
182.10858	6.0
183.11729	24.4
185.13280	10.4
187.11125	4.1
187.14877	5.9
189.12738	4.5
191.14317	5.3
192.09363	4.1
193.10150	12.4
194.10930	8.6
195.11691	17.8
195.13683	6.8
196.12344	8.5
197.13261	23.6
199.14806	13.9
201.12836	4.3
206.10922	6.1
207.11734	15.8
208.12392	6.2
209.13266	29.4
209.15149	4.9
211.11133	4.2
211.14882	17.7
213.12802	4.1
217.10115	3.6
217.15878	10.0
219.11778	5.9
220.12427	6.4
221.13219	14.3
221.15392	17.2
223.14851	10.8
225.14772	5.3
227.14253	5.4
231.11641	5.8
232.12430	4.9
233.13260	8.2
233.15376	21.0
235.14801	10.8
245.13162	8.5
245.15404	5.2
247.14729	6.6
251.17879	6.9
259.14801	6.3
263.17960	9.1
265.19632	4.0
273.16165	4.8
275.17957	4.9
277.19571	4.0
283.20786	6.0
289.19501	4.1
299.20026	10.3
364.24326	3.8
377.24808	4.4
383.25281	4.8
404.02286	3.4
413.28500	5.2
431.29565	3.8
511.00204	4.3
534.08032	4.1
581.39722	12.0
599.40765	7.8
617.42316	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01869	2.7
55.05514	44.5
57.07080	8.9
59.05008	2.1
65.75360	1.2
66.41341	1.4
67.05499	11.1
69.03437	7.7
69.07070	4.8
71.04990	2.4
79.05492	11.4
81.07060	14.8
83.04987	7.0
83.08625	44.8
85.06526	3.9
85.45554	1.3
85.78246	1.2
87.04451	1.6
87.82375	1.3
91.05488	18.6
93.07050	30.0
93.30447	1.3
95.04969	9.2
95.08605	14.9
97.06543	13.2
98.20702	2.1
99.58257	1.2
103.05437	2.2
105.01281	1.2
105.07037	27.7
107.08602	30.7
109.06518	6.9
109.10170	6.3
111.08087	5.0
113.09636	5.8
115.05444	1.9
117.07007	6.5
119.04980	1.4
119.07797	2.4
119.08584	29.7
121.06512	4.7
121.10162	17.0
123.08080	21.3
125.05974	2.1
125.09637	11.2
128.06235	3.7
129.06995	6.3
131.08575	18.3
133.06401	1.6
133.10133	16.3
135.08067	10.0
135.11681	4.3
136.08920	1.7
137.09596	11.7
139.07579	2.2
139.11172	6.4
141.06964	3.0
142.07820	6.4
143.08569	12.4
144.09358	3.1
145.10127	27.4
146.10985	1.5
147.08058	19.9
147.11711	6.3
149.09654	6.0
151.07549	16.6
153.07048	2.0
153.09093	3.3
153.12762	1.5
155.08546	5.9
155.10594	6.2
156.09351	5.7
157.10136	21.8
158.10904	1.6
159.08070	3.9
159.11722	11.2
161.09637	3.2
161.13332	4.3
163.11203	8.2
165.07027	2.0
165.09132	39.8
167.08546	4.5
168.09393	2.6
169.10153	9.4
169.12309	1.9
170.10869	3.2
171.10263	2.4
171.11642	13.1
173.09630	3.9
173.13269	4.9
175.11118	2.3
175.14842	3.1
177.09091	1.5
177.12788	2.6
179.08542	3.7
179.10655	1.5
179.14365	3.4
180.09341	1.4
181.10161	6.8
181.12228	17.2
182.10851	4.5
183.11688	10.4
185.13228	5.9
187.11269	2.5
189.12750	5.0
191.14365	2.5
193.10110	4.9
194.10869	2.1
195.11687	7.8
195.13606	2.3
196.12459	1.8
197.13237	12.6
199.14828	2.4
201.12750	3.1
203.14343	13.7
206.10924	2.4
207.11623	4.1
207.13757	5.9
208.12442	2.8
209.13261	8.1
209.15318	3.4
211.14896	8.9
213.16388	1.9
215.14156	2.0
219.11769	1.3
221.13445	4.9
221.15369	100.0
222.15691	1.6
223.14828	8.4
225.16408	2.7
227.14320	2.4
229.15971	1.9
233.13322	1.7
233.15430	2.0
235.14845	2.1
236.25594	1.6
239.17958	2.6
247.17075	6.7
249.16470	3.1
251.18015	3.5
255.17377	1.5
257.18954	2.5
259.17151	1.5
260.53568	1.4
261.18527	1.6
263.17886	1.4
267.17551	1.4
269.18881	1.8
273.18686	1.7
277.19485	1.5
281.19067	1.4
283.20535	2.0
285.18585	2.8
286.19388	3.0
287.20120	7.9
291.21063	1.5
297.18484	1.4
299.20105	12.5
300.20697	5.1
307.20456	1.7
309.18787	1.7
311.20084	2.6
313.21652	6.2
325.21619	2.6
353.24878	1.6
365.24747	5.6
375.23199	1.7
391.26370	6.1
413.27719	2.8
419.29398	3.2
424.84787	1.3
431.29193	4.3
451.78687	1.6
519.34216	1.8
525.35101	2.6
537.35901	2.2
581.40332	3.2
599.41028	18.3
617.32788	1.8
617.42053	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01853	3.8
55.05311	2.4
55.05515	26.2
57.07066	9.7
58.41847	2.2
59.47323	2.4
59.76233	2.5
63.86077	2.5
65.03960	3.8
67.05505	27.4
69.03416	6.7
69.07073	21.4
69.41956	2.6
71.05000	2.6
79.05517	26.0
80.06278	3.7
81.07062	47.4
83.04987	15.3
83.08628	31.7
85.06534	7.0
87.04469	2.7
88.51527	2.3
91.05488	47.4
93.07053	60.6
95.04973	38.4
95.08608	37.4
97.06529	17.7
97.10203	3.6
103.05456	5.1
105.04517	2.7
105.07037	87.0
106.07261	3.1
106.99374	2.4
107.04961	7.3
107.08605	52.9
109.06528	14.2
109.10172	26.8
111.08090	8.7
113.09624	5.8
114.35596	2.4
115.05424	4.7
117.07030	21.0
119.04947	3.2
119.08588	100.0
121.06520	13.3
121.10143	40.6
123.08085	18.6
123.11710	10.8
125.06001	10.3
125.09641	10.7
128.06219	10.5
129.06981	14.6
130.07779	7.7
131.08569	36.9
132.09267	3.3
133.06525	4.2
133.10129	49.3
135.08035	8.7
135.11679	16.0
136.06190	9.5
137.09625	6.8
139.11189	10.7
141.06996	7.5
141.09171	2.4
142.07802	16.1
143.08578	36.1
144.09317	11.1
145.06451	3.2
145.10126	72.5
146.10686	3.2
147.08069	10.4
147.11687	24.4
149.09631	10.2
149.13310	3.7
151.07544	5.1
153.07146	2.9
153.09096	2.8
154.07837	2.9
155.08583	17.3
155.10651	8.4
156.09383	16.5
157.10146	56.5
158.10760	8.4
159.08061	9.2
159.11702	40.8
160.08875	5.6
160.12303	3.1
161.09633	17.7
161.13252	9.6
163.11166	19.2
165.06996	4.9
165.09128	4.7
166.07719	2.8
167.08562	9.0
167.10713	9.8
168.09332	4.1
169.10132	21.8
170.10866	5.9
171.08028	3.4
171.11693	28.9
172.12274	4.1
173.09622	10.6
173.13283	22.2
174.10149	2.6
175.11166	12.7
175.14771	13.3
179.08549	5.0
181.10152	16.9
181.12210	25.9
182.10927	7.8
183.11688	20.6
184.12331	2.7
185.09650	3.6
185.13300	18.6
186.13921	2.7
187.11195	7.7
187.14821	13.9
189.12752	6.8
190.13538	3.2
191.08624	2.3
191.14368	7.4
193.10155	10.5
194.11041	3.1
195.11742	16.9
195.13358	3.4
196.12424	7.5
197.13278	25.3
198.13960	3.3
199.14824	12.2
201.12775	5.4
201.16414	6.4
205.10063	3.6
206.10945	3.4
207.11729	7.9
207.13742	4.6
209.13353	15.1
209.15076	3.5
210.13811	4.5
211.14833	13.3
213.12823	5.4
213.16428	4.5
215.14352	9.0
219.17436	4.2
220.12436	2.8
221.13182	9.7
221.15422	13.7
222.13824	3.3
223.14822	10.6
224.15486	3.2
225.12752	5.1
225.14655	5.6
225.16614	5.3
227.14287	2.9
231.11635	3.4
233.13184	6.1
233.15390	16.5
234.14034	2.9
235.14786	6.7
237.16493	4.5
239.14259	3.7
239.18015	4.0
247.14714	4.9
247.17046	2.8
249.16342	4.8
251.17848	3.2
253.16055	4.0
255.17426	11.1
256.80582	2.6
259.14746	3.9
261.16376	4.5
265.19449	7.1
267.20963	2.9
269.19037	4.2
270.19824	3.8
271.20560	4.8
281.19034	2.8
283.20605	4.9
295.20346	3.5
297.21988	4.4
299.20276	4.1
301.21680	5.0
314.22458	3.7
337.25104	3.5
347.23630	2.7
349.25171	5.6
365.24661	3.3
375.26700	6.2
383.26056	6.7
384.03583	2.3
392.27100	7.9
393.27908	30.0
394.28687	3.8
540.25464	2.4
578.35504	2.9
600.41058	8.1
618.42944	16.8
636.49323	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01875	5.1
55.05514	56.0
57.07063	7.5
59.05017	2.9
65.03937	5.5
67.05510	37.0
68.15947	2.3
69.03428	16.7
69.07074	24.1
70.21342	2.1
71.04991	6.8
72.43748	2.1
79.05495	41.3
79.52129	2.1
80.06277	3.7
81.03371	2.6
81.03868	2.9
81.07060	61.3
83.04996	21.1
83.08152	4.8
83.08621	65.5
85.02885	3.3
85.06537	8.4
87.04477	6.7
91.05489	57.6
93.07049	76.9
93.07640	4.4
95.04970	31.0
95.08616	43.7
97.06541	29.7
97.10164	4.0
98.21524	6.3
99.04437	6.6
103.05465	6.0
104.10753	16.1
105.04515	3.0
105.07036	100.0
107.04955	6.7
107.07877	4.1
107.08604	82.7
109.06558	14.9
109.10162	29.0
111.08079	9.4
113.09635	13.2
115.05434	6.2
117.07024	23.7
119.08591	97.8
120.09360	5.2
121.06514	15.3
121.10149	66.7
123.08076	21.9
123.11691	8.7
125.09639	24.7
128.06210	14.0
129.07027	26.1
130.07790	10.4
131.08591	55.4
132.09402	5.3
133.06488	5.5
133.10133	63.7
134.10907	5.2
135.08069	13.9
135.11726	14.8
137.09598	8.5
139.11203	17.0
141.06960	11.4
142.07803	30.9
142.57918	2.5
143.07503	4.5
143.08574	59.4
144.09377	13.3
145.06488	7.8
145.10126	87.0
146.10793	3.2
147.08067	17.3
147.11702	22.0
149.09633	14.4
149.13309	2.7
151.07539	3.9
151.11147	3.6
153.06998	6.0
153.09081	2.8
154.07796	5.8
155.08572	25.1
155.10635	19.2
156.09361	25.2
157.10144	76.0
158.10902	10.9
159.08092	22.3
159.11688	39.0
160.08884	15.6
161.09656	18.0
161.13268	7.9
163.11160	11.0
165.07019	8.9
165.09099	5.4
165.12666	2.9
166.07788	3.2
167.08591	12.4
167.10696	22.1
168.09340	9.6
169.10127	40.5
170.10918	12.7
171.08026	2.9
171.10249	5.3
171.11659	41.9
172.12428	5.9
173.09654	14.1
173.13252	20.9
175.11176	15.4
175.14838	5.6
177.12775	3.6
179.08513	13.4
179.14290	6.3
180.09332	9.3
181.10173	24.5
181.12201	27.0
182.10901	17.7
183.11714	33.9
183.13312	3.7
183.13907	2.5
184.12459	9.5
185.09644	5.5
185.13283	23.9
186.10330	2.8
186.14017	6.6
187.11203	8.5
187.14789	10.1
189.12729	8.1
190.13521	3.8
191.14296	13.7
192.09387	3.6
193.10158	15.5
194.10930	13.7
195.11717	36.8
195.13693	3.8
196.12492	10.1
197.09639	5.1
197.11510	3.1
197.13275	43.2
198.14021	5.6
199.11189	10.6
199.14798	15.6
200.15517	3.8
201.12637	3.8
201.16396	3.1
203.14325	6.8
205.10156	5.3
206.10915	6.9
207.11678	19.4
207.13765	7.4
208.12480	8.8
208.14482	6.0
209.13356	27.4
209.15326	6.2
210.13994	9.4
211.11317	3.0
211.13396	2.3
211.14890	23.0
213.12770	9.3
213.16356	9.8
215.14363	20.2
216.14993	2.7
217.10130	3.9
217.15875	3.8
218.16670	6.3
219.11697	7.6
220.12617	5.4
220.14514	2.5
221.13246	19.3
221.15381	29.7
222.13985	3.9
223.11163	2.7
223.14857	16.3
225.12808	4.9
225.14824	8.4
225.16412	9.3
227.14281	7.2
229.15907	4.3
231.11687	7.3
232.12482	5.9
233.13245	10.4
233.15356	50.7
235.14842	10.3
237.16649	12.9
239.14334	3.5
239.17909	6.0
241.15927	4.8
244.12381	3.2
245.13269	5.8
246.13986	4.7
246.16216	4.9
247.14769	9.6
247.16965	7.4
248.15660	4.2
249.16418	10.2
251.17889	7.3
253.15895	5.8
253.19682	3.2
255.17462	38.5
257.19031	7.1
258.13910	2.9
259.14798	5.5
260.15521	3.0
261.16263	6.8
263.17905	6.8
265.19418	6.5
267.17270	5.1
268.18237	3.6
269.18967	5.9
270.19791	16.3
271.20535	7.1
273.16144	4.2
273.18735	5.6
274.17230	3.6
275.17941	6.8
277.19412	4.2
279.17557	3.8
279.21039	2.7
281.19003	6.5
282.19858	5.5
283.01819	7.2
283.20572	6.5
285.15982	3.6
285.18747	4.8
286.19351	9.0
287.20261	5.5
289.19525	6.5
294.19656	3.5
295.20670	4.6
296.21234	4.0
299.20126	8.7
307.20609	2.9
309.21976	3.1
311.20047	2.7
312.20822	3.7
313.21481	3.9
322.23013	3.5
331.24316	4.3
334.22934	4.1
337.25272	9.2
347.23569	6.6
349.25363	5.8
351.22720	3.0
359.23541	3.9
360.24445	5.4
362.25717	3.1
365.24707	10.1
367.26218	5.9
381.25388	3.5
383.25735	18.0
399.26886	4.5
414.28973	5.7
429.31607	3.3
439.29526	4.5
457.30878	5.0
567.38086	3.4
582.40210	3.6
600.41541	8.0
618.43207	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.4
54.53033	2.4
55.01868	6.1
55.05274	2.7
55.05514	41.1
57.07073	5.5
59.04989	3.5
65.03941	4.7
65.82987	2.6
67.05515	28.2
69.03434	12.5
69.07063	16.1
69.31694	21.8
71.04981	10.0
79.05505	33.1
81.07060	48.4
83.04996	17.5
83.08154	3.9
83.08630	66.1
85.06539	9.9
86.95840	2.4
87.04479	6.4
91.05484	53.3
93.07047	63.2
93.84914	2.7
93.96515	2.7
95.04983	34.9
95.08618	37.3
96.15689	2.7
97.06532	22.6
99.04455	4.4
103.05461	4.9
105.07038	100.0
107.04974	5.4
107.08600	70.0
109.06541	15.7
109.10160	26.3
111.08073	9.8
113.09648	10.2
115.05450	6.4
117.07024	27.3
118.07863	2.9
119.08581	79.9
120.09361	5.3
121.06483	11.0
121.10148	55.4
123.08088	23.2
123.11727	6.8
125.09645	26.4
128.06236	10.4
129.07007	20.3
130.07785	10.5
131.08571	54.9
132.09355	6.3
133.06470	3.5
133.10146	53.6
135.08083	15.7
135.11742	12.7
136.06157	4.2
137.09610	9.8
139.11209	16.9
141.06975	10.0
142.07794	24.5
143.08572	55.4
144.09377	15.3
145.06497	7.8
145.10136	86.6
147.08046	17.0
147.11650	23.8
149.09660	17.3
149.13306	5.7
151.07544	5.0
151.11124	4.3
153.06985	6.1
153.09099	4.5
155.08598	22.6
155.10696	18.7
156.09381	22.9
157.10139	67.0
158.10966	5.9
159.08055	16.3
159.11703	37.5
160.08807	13.1
160.12457	3.4
161.09618	14.0
161.13240	7.1
163.11188	9.5
165.07019	7.4
165.09149	2.9
165.12712	3.3
167.08569	10.8
167.10680	19.4
168.09334	8.8
168.11366	3.6
169.10132	30.7
170.10910	7.5
171.10196	4.5
171.11655	34.6
172.12508	4.0
173.09607	8.7
173.13249	16.5
175.11189	13.9
175.14790	3.2
177.12810	3.5
178.07655	2.8
179.08519	13.7
179.14302	6.3
180.09390	6.0
181.10066	14.2
181.12254	27.9
182.10934	11.2
183.11674	25.6
184.12468	5.7
185.09589	6.7
185.13295	25.7
186.13968	3.1
187.11183	6.6
187.14824	9.9
189.12723	9.7
190.13623	3.4
191.08583	3.0
191.14313	8.7
192.09322	6.0
193.10179	13.8
194.10936	10.5
195.11681	29.0
196.12447	13.5
197.13286	43.0
198.14067	5.3
199.11267	6.4
199.14827	16.2
201.12802	4.8
201.16380	5.7
203.14317	10.5
205.10292	5.3
206.10899	7.2
207.11678	18.7
207.13861	7.7
208.12492	9.6
208.14449	2.9
209.13258	24.2
209.15193	4.7
210.13968	6.0
211.14812	17.1
213.12755	11.2
213.16380	9.6
215.14404	18.5
218.16660	5.7
219.11639	8.8
220.12422	6.3
221.13237	18.6
221.15396	25.8
222.13918	4.5
223.11292	3.3
223.14761	22.5
224.15419	2.7
225.12823	5.6
225.14607	16.8
225.16670	6.0
227.14302	10.7
228.15010	2.5
230.11072	3.2
231.11748	4.3
233.13203	8.3
233.15341	41.1
234.14038	5.1
235.14871	13.8
235.16899	4.0
236.15546	4.4
237.16391	8.2
239.14314	4.4
239.17940	4.4
241.15895	5.2
244.12486	3.2
244.94603	3.0
245.13211	6.4
246.13954	4.8
246.16202	3.7
247.14771	5.2
247.16965	7.8
249.16406	9.7
251.17960	6.2
253.15782	5.3
255.17444	33.2
259.14789	4.4
261.16412	6.9
262.17126	3.4
263.17914	8.7
265.19519	7.0
268.18060	4.3
269.19025	7.5
270.19858	11.5
271.20328	3.7
273.18643	5.6
275.17953	6.2
277.19659	4.7
281.19016	6.1
282.19791	6.7
283.20435	6.7
285.18774	4.2
286.19397	5.1
287.20193	5.9
288.18829	3.5
289.19577	4.2
295.20578	7.0
297.18582	4.0
299.20111	7.8
301.19293	3.1
307.20615	3.9
311.19916	4.2
322.23026	4.6
329.22635	3.3
331.24109	5.4
337.25290	7.4
347.23816	5.5
349.25177	5.1
360.24536	3.5
361.25308	3.2
365.24728	9.2
367.26315	10.0
373.25339	2.9
383.25854	18.9
401.28421	3.2
457.30850	3.6
490.33759	3.3
582.40509	7.6
600.41302	9.8
618.43152	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01863	2.4
55.05513	8.1
56.77776	0.5
57.03426	1.3
65.03942	1.9
67.05510	19.9
67.75797	0.6
69.03438	8.3
69.07067	5.1
69.18919	4.2
69.19340	1.6
71.04977	2.2
77.03938	0.8
79.05498	17.4
81.02987	1.0
81.03422	13.3
81.07064	23.8
82.67693	0.6
83.01328	0.8
83.04985	3.8
83.08625	3.3
85.02913	3.0
85.06522	0.8
88.17686	0.6
91.05486	25.7
93.06488	1.2
93.07053	20.2
95.04971	4.3
95.08611	11.9
97.02881	3.7
97.06543	7.4
97.10173	3.2
97.12537	0.6
99.04443	2.5
103.05473	1.3
105.04453	0.6
105.07034	18.7
107.04971	3.8
107.08591	8.7
109.02877	6.4
109.06524	15.8
109.10151	5.3
111.04471	1.4
111.08080	4.0
115.05470	1.4
117.07026	11.4
118.23727	0.6
119.04957	0.7
119.08591	14.0
121.02859	0.6
121.06509	8.3
121.10152	5.6
123.04427	2.2
123.08075	7.1
123.11691	1.1
125.05996	2.6
125.09635	1.0
127.03928	8.7
128.06242	3.4
129.07014	6.7
130.07773	1.3
131.04984	0.7
131.08585	16.1
132.05705	0.9
133.06496	18.6
133.10136	13.1
135.04434	0.6
135.08063	7.9
135.11700	3.4
137.06009	1.1
137.09630	2.0
139.03879	1.2
141.06955	1.7
142.07774	2.0
143.03406	1.1
143.08571	12.0
145.06485	1.7
145.09055	1.0
145.10133	13.1
146.07184	1.0
147.04350	0.7
147.08055	14.8
147.11676	5.1
149.02325	0.8
149.09628	2.6
149.13275	3.3
151.03877	0.9
151.07541	2.3
151.11180	3.3
155.03406	2.7
155.08536	2.8
156.09254	0.8
157.06473	0.9
157.10138	7.0
159.08073	5.2
159.11691	19.1
161.09628	14.3
161.13268	0.9
163.07504	1.4
163.11125	3.0
165.06866	0.7
165.09137	0.7
166.07721	0.6
167.03423	4.8
167.08545	2.0
169.04971	1.8
169.10133	3.8
171.08125	3.1
171.11665	5.8
173.09624	5.6
173.11797	1.2
173.13206	1.2
175.07648	0.7
175.11209	6.5
177.05405	0.6
177.12755	15.6
179.03384	2.4
181.05049	1.0
181.10106	3.3
183.08168	0.7
183.11725	1.8
185.04475	15.1
185.09586	3.0
185.13237	2.6
187.11197	2.8
189.09068	0.6
189.12781	1.3
191.10738	0.7
193.12183	0.7
195.11700	3.5
197.04431	4.6
197.09612	0.7
197.13326	1.1
199.11220	1.6
199.14879	1.0
205.04985	0.9
206.75990	0.6
207.11819	0.6
209.13226	0.9
211.05885	1.1
211.11278	0.7
211.14746	0.7
213.12650	1.2
217.05002	1.0
217.12247	1.0
221.04494	0.9
223.05981	0.8
227.14398	1.2
227.17921	3.6
233.04465	0.7
235.06044	1.1
237.16367	7.2
245.19014	3.5
247.09732	1.1
255.17456	21.4
263.09171	1.3
271.16925	1.8
273.18506	100.0
275.05557	0.7
275.08942	0.8
285.15009	1.3
285.18265	0.7
286.02805	0.6
287.09067	0.7
289.10800	2.2
291.19550	5.4
301.14078	1.2
303.12411	3.8
303.15323	0.8
315.19504	1.3
333.20697	1.5
359.93417	0.7
363.19543	2.7
381.20642	5.0
397.20074	3.3
399.21710	7.5
415.21255	5.3
417.22693	10.9
421.20139	0.9
435.23798	9.2
437.19565	0.9
439.21326	4.1
457.22137	4.9
500.37396	0.6
505.22079	1.5
523.22736	1.8
529.23285	0.6
565.24475	1.5
583.25354	1.6
601.26172	3.7
619.26904	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01628	1.4
55.01874	17.5
55.05515	9.4
57.03443	6.1
57.07072	1.6
61.02918	2.1
65.03941	2.1
67.01854	1.3
67.05507	44.7
69.03432	38.2
69.07078	8.8
70.63921	1.3
70.64278	1.3
71.04994	11.1
73.02921	8.1
73.80425	0.7
74.33770	0.7
79.05495	29.3
81.02934	1.0
81.03421	36.6
81.07058	45.3
83.04971	3.1
83.08624	3.9
85.02910	16.7
85.06545	1.0
89.26142	0.7
91.05480	16.2
93.07045	33.7
95.04957	3.0
95.08609	36.6
97.02896	37.2
97.06554	1.7
97.10172	3.0
99.04458	61.3
99.08095	1.1
101.02374	3.1
105.07035	13.5
107.04973	1.2
107.08597	17.7
109.02127	1.7
109.02882	33.3
109.06496	1.7
109.10159	21.5
111.04447	9.4
111.08091	1.3
115.03934	1.2
117.07015	5.5
119.08582	10.6
120.64188	0.9
121.10151	16.7
123.08087	1.7
123.11698	11.3
127.03922	100.0
129.05479	2.2
129.06987	0.9
131.08577	10.5
133.10124	10.1
135.11696	13.2
137.09668	1.0
137.13248	3.4
143.08609	0.8
145.04956	17.6
145.09013	1.2
145.10107	8.0
147.06474	0.9
147.11711	8.3
149.09579	1.6
149.13245	7.3
154.81192	0.9
157.10161	1.4
159.07999	1.1
159.11708	7.8
161.09651	0.8
161.13242	7.4
163.11195	0.8
163.14789	3.8
165.12770	1.8
171.11662	1.4
173.13287	6.5
175.14845	2.8
177.12811	1.3
177.16452	1.2
179.14304	0.9
180.08713	1.4
185.13286	1.0
187.14844	3.2
189.12764	0.8
199.14899	1.0
205.15895	0.9
209.15218	1.1
211.11494	0.9
233.22542	0.9
241.19542	2.5
243.21126	6.8
259.20541	7.6
261.22125	20.6
271.08139	0.8
277.18790	1.2
277.21606	8.9
279.23166	6.4
291.23181	1.0
301.21655	1.2
303.23022	1.4
315.23056	1.9
327.23169	1.4
339.23337	1.2
341.24750	1.9
345.24210	1.1
351.23154	1.8
357.24228	2.9
359.25815	1.2
369.24304	8.0
387.25314	7.3
405.26367	10.0
423.27444	56.2
459.14044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.9
53.38588	7.1
55.01871	16.9
55.05513	20.7
55.99090	6.1
57.03442	15.9
67.05515	56.6
69.03440	57.9
69.07059	24.1
71.11987	12.3
71.12321	6.2
71.54367	6.2
73.02908	9.9
74.48513	6.6
79.05506	44.3
81.03419	44.5
81.07069	78.8
83.04958	10.9
83.08651	7.3
85.02920	100.0
91.05515	36.1
93.07064	47.3
95.05016	8.4
95.08625	48.1
97.02901	45.7
99.04470	17.7
101.02383	7.1
105.07040	33.0
107.04980	7.8
107.08588	20.7
109.02885	19.5
109.10168	41.3
111.04432	12.4
115.03914	8.3
117.07008	17.6
119.08614	35.9
119.16805	6.4
121.06515	8.4
121.10143	31.6
123.11782	9.5
127.03931	59.2
129.07030	12.0
131.08626	30.6
133.10147	19.3
135.11708	23.3
143.08615	14.8
145.05005	30.7
145.10139	21.3
147.08043	8.7
147.11722	14.2
149.02335	22.3
149.13283	16.4
157.10168	14.1
159.11696	20.2
159.84502	6.2
161.09610	5.9
161.13309	11.6
163.11249	6.1
169.10051	8.2
171.11693	8.7
173.13313	13.4
175.14967	7.4
176.60806	6.3
177.12837	7.3
180.08647	10.2
183.08113	6.3
187.14757	8.7
193.04996	11.4
197.04512	8.3
197.13254	9.6
199.14842	12.7
261.22156	14.3
303.23135	17.5
341.24884	9.0
351.23123	12.0
369.24460	53.8
387.25330	46.5
405.26544	61.3
423.27457	27.5
432.73535	6.6
572.51904	6.9
621.15906	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	620.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01888	0.9
55.05518	5.6
57.03192	0.7
57.03443	7.5
57.07083	0.8
59.02979	0.4
59.04232	0.4
59.04994	2.3
59.56933	0.4
61.02941	3.3
65.03956	0.8
67.05513	53.0
69.03414	0.9
69.06799	0.5
69.07082	5.6
69.21709	2.8
69.22129	1.9
71.05003	2.6
71.08667	0.5
73.02913	1.1
79.05502	11.2
81.03412	1.9
81.07066	27.7
83.04982	2.0
83.08632	6.5
85.02906	3.1
85.06541	2.5
91.03951	1.1
91.05494	8.5
93.07053	16.9
95.04992	1.5
95.08619	7.6
97.02888	1.6
97.06525	3.2
97.10186	1.0
99.08119	1.0
103.03908	0.6
105.07018	1.9
107.08612	10.4
109.06487	0.8
109.10169	42.4
111.08101	3.7
117.07037	2.6
119.08597	3.6
121.06525	0.7
121.10149	5.0
123.11683	1.4
126.20667	0.5
131.08598	3.0
133.10162	3.7
135.08037	0.8
135.11725	3.3
137.09659	1.5
149.02318	0.9
149.09518	0.6
149.13277	8.5
155.10701	3.4
159.11760	3.7
173.11766	10.1
177.12770	2.1
181.12296	0.5
193.04994	0.9
195.13846	3.6
211.13245	0.5
213.14952	0.5
215.76942	0.5
224.34560	0.5
229.14378	36.7
269.17511	31.8
280.61905	0.5
423.27478	100.0
424.27798	1.4
620.35382	0.6
621.17120	0.6
621.32526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.31621	0.3
68.56052	0.3
76.03831	0.3
98.20776	0.7
99.81689	0.3
119.93583	0.4
124.87820	0.3
153.99748	0.3
177.21352	0.4
214.89160	0.3
357.72629	0.4
374.15372	0.4
375.16113	1.2
387.16077	0.9
388.17102	0.9
389.17737	2.6
390.18484	0.8
391.19168	0.7
401.17828	0.9
402.14081	0.5
402.18616	1.3
403.14905	0.5
403.19504	4.0
404.20169	1.6
405.20718	1.9
415.19608	0.5
416.16104	1.0
416.20480	1.0
417.17075	3.0
417.21027	2.8
418.21924	0.6
419.22485	7.3
420.23145	0.7
429.16797	0.6
430.17340	0.6
431.18146	7.0
431.23648	0.5
432.18906	2.8
433.20172	2.8
441.16635	0.5
443.18970	0.7
444.19592	0.7
445.19922	6.3
446.21024	6.1
447.21826	10.8
458.20920	0.5
459.22946	2.9
460.18228	0.5
461.19836	1.3
463.21600	0.5
473.19568	1.3
473.24173	1.0
474.20340	6.1
475.21393	8.1
477.22885	0.4
478.23694	0.5
487.21539	2.8
488.22241	1.0
491.20383	1.6
501.23093	2.6
505.25839	1.2
517.21490	0.4
519.20264	0.6
529.22363	0.9
533.25525	19.4
546.22656	0.5
561.24994	23.9
562.26080	0.6
563.66223	0.4
589.24646	1.0
593.27881	3.3
621.27087	100.0
622.27454	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02016	0.3
60.69133	0.2
61.26537	0.2
69.28170	0.4
69.28563	1.6
89.82153	0.2
97.74725	0.2
103.47804	0.2
108.29478	0.2
130.06448	0.2
137.84918	0.2
146.05861	0.2
168.07974	0.2
184.97038	0.2
209.10733	0.4
210.11449	0.2
220.09908	0.2
221.10710	0.5
233.10683	0.3
235.12350	0.3
237.09987	0.3
245.10500	0.2
251.11871	0.3
286.13284	0.2
298.13333	0.2
300.14896	0.2
310.13644	0.3
311.14203	0.3
312.14886	0.3
348.14157	0.2
351.14203	0.2
362.16364	0.2
373.14905	0.5
374.15329	0.6
375.16180	1.1
376.17181	0.3
385.15640	0.3
386.16324	0.2
387.16245	0.9
388.16901	1.2
389.13327	0.2
389.17715	3.4
390.18451	1.5
391.19336	1.2
399.15900	0.3
401.18103	1.5
402.14127	0.6
402.18991	1.8
403.19501	6.2
404.20023	3.4
405.20718	2.2
406.21765	0.2
415.14648	0.4
415.19675	1.0
416.16260	1.4
416.20245	1.0
417.16046	4.2
417.20987	3.4
418.17365	0.7
418.21503	1.3
419.22394	9.7
420.23132	0.4
429.16910	0.9
429.21448	0.5
430.17273	1.9
431.18076	8.3
432.19086	2.9
433.19919	1.8
443.18469	1.1
444.19418	0.8
445.20273	7.6
445.25650	0.3
446.21051	6.0
447.21848	11.1
448.22675	0.4
457.20703	0.4
458.21136	0.6
459.17606	1.6
459.22028	2.2
460.18503	0.7
460.23080	0.6
461.19244	1.2
463.21240	0.2
473.19339	1.4
473.23804	1.3
474.20444	11.1
475.21335	16.4
476.21622	0.5
487.21396	4.2
488.22086	1.5
489.22787	0.3
490.23849	0.3
491.20828	0.7
501.23019	2.7
502.23843	0.3
503.20541	0.4
504.21774	0.4
505.26913	1.6
517.22528	0.7
518.22974	0.7
519.19629	0.5
520.24677	0.3
529.22351	0.9
533.25586	13.9
546.22656	1.1
561.25012	72.1
562.25482	1.7
589.24634	1.9
593.27490	2.9
621.27112	100.0
622.27283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94580	0.6
51.02380	0.7
52.67699	0.6
52.89951	0.6
53.03952	2.9
53.08068	0.6
55.01863	1.9
55.05520	10.3
57.03428	1.4
57.07072	1.2
64.32412	0.6
65.03934	1.7
67.05515	19.4
69.03430	3.2
69.07079	7.3
70.77643	1.5
71.04984	2.4
76.31579	0.6
79.05503	18.6
81.03421	8.4
81.06591	0.9
81.07067	18.2
83.04971	2.4
83.08614	2.6
83.30594	0.6
85.02915	1.3
85.06532	0.8
91.05495	28.5
93.07053	15.4
95.04962	3.2
95.08623	11.3
97.02885	2.9
97.06547	1.7
97.10164	1.1
99.04443	1.4
103.05479	1.5
105.07045	36.0
106.27632	0.6
107.04961	2.4
107.08614	9.8
109.02891	6.5
109.06528	1.8
109.10177	6.7
111.04501	0.7
117.07031	9.7
119.08598	30.6
121.06509	2.6
121.10155	6.9
123.08112	1.7
123.11701	0.9
125.09611	1.3
127.03274	0.5
127.03954	5.9
128.06232	1.2
129.07068	3.0
131.08585	12.9
133.06450	1.1
133.10147	33.2
135.08047	2.7
135.11691	3.4
137.09648	4.7
141.06969	1.1
142.09541	0.6
143.08585	2.7
145.06566	0.7
145.10136	9.0
147.08040	1.3
147.11703	16.8
149.02415	1.0
149.09656	5.1
149.13324	0.8
151.11183	1.0
155.08601	1.7
156.54715	0.6
157.10103	2.5
159.11702	7.7
161.09642	1.0
161.13268	4.3
163.11179	1.4
166.79478	0.7
167.03397	1.9
169.10168	1.8
171.11716	2.7
173.13297	7.0
175.11171	0.9
175.14755	0.9
177.12785	0.8
183.11700	1.2
185.04459	8.0
185.09698	0.6
185.13312	0.8
187.11223	0.9
187.14841	1.7
189.12848	0.9
193.05035	0.9
197.13297	2.9
201.12823	0.8
213.16476	0.7
213.91582	0.6
226.25021	0.6
229.19562	1.9
230.34271	0.6
233.15440	1.4
239.18016	4.3
247.20670	3.4
257.19058	6.3
273.18561	1.0
275.05463	0.9
275.20096	100.0
276.20505	0.6
291.19559	1.3
293.21045	1.5
335.22079	0.8
365.21555	0.6
383.22028	0.9
401.23135	2.0
419.24338	4.7
437.25497	0.9
534.85919	0.8
621.40601	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	621.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01881	7.4
55.05518	9.0
57.03425	1.1
57.07075	0.6
65.03936	0.9
67.05510	16.8
69.03440	3.2
69.07074	13.1
70.77280	1.4
70.77613	0.7
71.04984	1.9
79.05496	16.2
81.03422	16.1
81.07063	26.3
83.04972	2.4
83.08620	3.7
85.02882	2.3
90.10715	0.5
91.05486	30.3
93.07047	17.4
95.01347	4.4
95.04970	4.4
95.08069	1.1
95.08614	13.6
97.02895	3.2
97.06532	14.7
97.10158	1.0
99.04433	1.3
103.05435	0.9
105.07039	43.2
107.04974	7.8
107.08586	6.9
109.02236	0.8
109.02892	10.0
109.06497	1.6
109.10164	3.6
111.04424	1.9
111.08054	1.2
117.07019	8.2
119.08590	21.1
121.06481	1.5
121.10168	4.2
123.04427	1.4
123.08073	2.3
123.11629	0.8
124.00101	0.7
125.09641	0.9
127.03920	10.3
129.06992	2.3
131.08566	13.7
133.06465	1.1
133.10139	26.0
135.08055	1.7
135.11705	3.4
137.09622	1.4
139.03888	0.6
141.06972	1.3
143.08591	2.5
145.06476	1.7
145.10144	8.2
146.10875	0.6
147.11694	11.3
149.09610	4.4
149.13217	1.4
151.11159	1.1
155.08571	1.5
157.10141	2.7
159.08058	1.1
159.11703	6.3
161.09662	1.2
161.13258	3.0
163.07553	0.7
163.11176	2.3
165.09105	1.7
167.03415	2.2
169.10120	1.4
171.11702	1.7
173.13293	1.8
175.11180	0.8
177.12769	3.0
179.14323	7.6
183.11679	1.7
185.04466	7.2
187.11139	2.1
189.12740	0.6
195.13716	1.0
197.13231	1.5
201.12846	0.6
205.12167	0.9
205.16017	0.7
215.18121	1.0
219.13814	0.7
223.13281	1.1
236.74800	0.6
239.17921	1.7
245.15375	0.9
247.20668	2.0
257.19037	6.7
275.20074	100.0
276.20401	1.0
287.16458	6.6
293.21140	3.6
305.17477	0.9
311.24109	0.6
335.22464	0.8
365.21429	0.9
401.23160	4.2
407.83560	0.7
419.24405	4.9
420.33588	0.7
437.25281	2.0
525.40527	0.7
593.27936	0.6
621.27014	1.1
621.38629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2903
Annotation	Scilliroside
Peak:m/z	Relative Intensity
53.03936	8.5
55.01859	8.5
55.05505	20.6
57.03416	8.8
57.07084	2.4
65.03931	5.5
67.01871	3.6
67.05506	77.7
68.99789	5.8
69.03422	22.3
69.07074	20.8
70.77711	3.8
70.78048	4.9
71.01343	2.6
71.04980	9.6
73.02903	2.7
79.05497	49.8
81.02988	4.1
81.03419	55.9
81.06598	4.3
81.07063	72.9
83.01334	4.0
83.04976	7.5
83.08630	11.9
85.02897	13.6
85.06526	3.5
91.05482	45.9
93.07044	45.4
95.01360	2.3
95.04970	14.8
95.08600	33.4
97.02907	21.7
97.06524	8.4
97.10149	3.6
99.04435	4.6
99.08076	2.7
103.05451	3.0
105.04504	3.2
105.07034	48.1
107.04958	12.8
107.08595	26.8
109.02904	19.2
109.06532	14.6
109.10166	27.3
111.04439	8.7
111.08064	5.2
113.09643	3.1
115.05538	3.4
116.49676	2.2
117.07019	16.1
119.04889	3.1
119.08588	34.0
121.02890	3.3
121.06485	8.2
121.10149	18.6
123.04413	10.5
123.08047	6.5
123.11671	7.4
125.02310	2.9
125.09621	3.1
126.69314	2.9
127.03922	23.1
128.06219	2.6
129.06982	12.4
131.04906	3.5
131.08563	26.7
133.02846	2.4
133.06514	6.8
133.10129	31.1
135.08054	6.9
135.11679	8.8
137.06006	3.9
137.09598	3.7
139.03894	8.2
141.06995	3.2
143.03391	3.8
143.08539	13.2
145.04964	3.2
145.06473	5.8
145.10101	20.6
147.04422	4.0
147.07965	3.4
147.11678	12.6
149.02298	5.9
149.09566	8.4
149.13249	6.2
151.03893	14.9
151.11121	3.2
155.03389	38.5
155.08575	4.9
155.10664	3.9
157.06445	3.8
157.08968	2.3
157.10121	11.4
158.80823	2.4
159.04340	2.1
159.08052	4.8
159.10539	3.0
159.11684	19.4
161.05931	5.4
161.09625	5.5
161.13242	4.6
163.03926	9.3
163.07608	3.2
163.11166	3.3
165.09093	3.0
167.03407	11.8
167.07106	2.4
169.01341	3.0
169.04967	22.4
169.10110	5.3
171.11691	8.0
173.05956	2.8
173.09628	4.4
173.11696	11.6
173.13271	7.4
175.03928	2.7
175.11183	5.9
177.05463	6.5
177.12718	2.7
179.03387	46.9
181.04913	16.6
181.10110	3.3
183.02956	5.0
183.08055	3.2
185.04446	36.5
185.06036	3.9
185.09665	2.9
187.07501	4.1
187.11179	4.5
187.13277	2.7
189.05502	5.3
189.08992	3.5
191.06973	3.5
191.10538	2.8
193.04967	10.1
193.12195	3.0
195.02937	3.5
195.06534	6.0
195.13857	5.1
197.04459	100.0
197.05928	4.1
197.13206	2.9
199.11128	3.2
199.14717	3.3
201.05576	2.9
203.03452	15.4
205.04961	9.4
205.08615	2.9
207.06523	18.8
209.04469	7.9
209.07982	2.6
211.05943	5.3
211.11121	3.6
211.13283	2.7
213.05417	3.8
215.07121	2.4
217.04958	6.9
217.08705	2.6
219.06488	6.6
221.04477	37.2
221.07996	4.7
223.06029	6.9
225.07567	16.7
229.08595	3.9
231.06509	7.6
233.08154	7.2
233.18925	2.8
235.06020	7.9
235.17009	3.1
237.07515	15.3
239.09152	3.0
239.17964	3.1
241.08560	3.5
245.08112	5.9
247.06078	2.9
247.09651	7.1
247.20471	3.1
249.07524	13.2
251.09157	4.3
255.08597	3.0
257.19019	9.8
261.07635	4.3
261.11441	3.5
263.09229	6.0
265.10733	23.0
269.11902	2.5
271.09628	3.6
273.07703	3.1
273.11160	3.5
275.05746	2.6
275.09152	5.7
275.20062	42.0
277.10678	3.9
279.12256	3.3
285.11163	3.4
287.12805	4.6
289.10727	4.9
291.12241	9.8
297.11005	3.7
299.14978	2.6
301.14447	5.8
303.12332	14.2
303.15314	2.7
305.13831	22.4
315.12073	3.0
317.13818	6.2
319.15366	9.0
329.13846	4.8
331.15393	3.4
343.15219	7.4
347.14816	6.9
361.16425	7.5
365.20807	3.3
381.20645	10.4
383.22415	3.3
399.21704	50.2
401.23428	5.4
405.20251	3.0
417.22787	24.8
419.24103	10.9
423.21271	11.0
437.25571	4.6
441.22659	46.2
447.17419	3.1
457.22098	5.7
459.23535	30.8
473.17993	2.9
507.23688	10.7
509.20071	7.8
523.21936	4.9
525.24622	9.7
543.25891	4.6
549.24786	6.7
561.26581	3.0
567.25903	18.1
585.27026	12.4
603.27991	23.3
621.29480	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	621.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.3
55.01871	9.1
55.05515	29.3
57.03442	12.8
57.07082	3.6
63.58420	2.5
65.03941	3.7
67.01888	6.0
67.05508	79.4
69.03420	22.8
69.07082	24.7
70.06610	12.1
71.01350	2.8
71.05003	8.6
73.02901	3.7
74.84116	2.7
79.05495	60.5
81.02987	5.2
81.03430	65.8
81.07063	96.5
83.01352	3.4
83.05006	13.0
83.08622	14.4
85.02917	26.5
85.06548	6.9
87.04454	2.7
87.71047	2.4
91.05486	75.3
93.07052	63.3
95.04977	25.1
95.08614	54.8
97.02913	27.2
97.06554	10.9
97.10147	4.5
99.04473	8.8
105.04495	3.0
105.07032	71.8
107.04947	19.3
107.08599	44.7
109.02885	36.0
109.06538	11.2
109.10165	25.2
111.04465	6.9
111.08071	7.5
115.05483	4.6
117.07008	26.7
119.04958	5.3
119.08585	48.9
121.06537	14.3
121.10145	23.7
123.04459	12.1
123.08060	7.5
123.11732	4.3
127.03938	31.1
128.06210	4.6
129.07001	11.0
131.04918	3.9
131.08600	38.8
133.02795	2.9
133.06554	6.0
133.10156	51.0
135.04396	3.5
135.08067	12.7
135.11714	10.6
137.05971	4.2
137.09648	6.9
139.03915	11.2
141.06978	4.9
143.08594	11.2
143.72404	3.1
145.04948	3.9
145.06467	6.4
145.10147	33.0
146.12981	3.1
147.04419	4.2
147.08046	4.6
147.11671	21.8
149.02423	5.9
149.06007	4.6
149.09633	9.5
149.13252	10.3
151.03909	15.9
151.11215	4.8
153.05586	3.2
155.03415	43.7
155.08589	8.8
157.06635	3.7
157.10127	11.7
159.08078	7.0
159.11702	20.9
161.02394	2.8
161.05978	6.9
161.09622	6.4
161.13307	6.6
163.03923	10.7
163.11197	10.7
165.05508	5.0
167.03412	22.1
167.07071	2.5
169.01350	4.8
169.04930	21.1
169.06142	2.3
169.10121	6.6
171.11710	9.8
173.06052	6.1
173.09686	3.9
173.11852	3.2
173.13306	8.4
173.90390	2.5
173.91908	2.7
175.07518	3.0
175.11238	6.1
177.05521	7.1
177.12720	6.4
179.03412	38.3
181.04982	16.9
181.06416	3.3
181.10088	3.1
183.02936	4.1
183.06483	5.6
183.08029	3.1
183.11684	6.4
185.04475	60.9
185.13304	6.5
187.03937	5.5
187.07515	4.5
187.11205	6.1
187.14873	3.9
189.05504	6.4
189.09143	5.7
189.12836	4.0
191.03333	3.5
191.07048	7.1
191.10666	3.3
193.05014	9.9
195.02913	3.3
195.06548	6.4
195.13780	7.9
197.04472	100.0
201.05432	4.8
203.03391	10.1
203.06987	3.3
203.14325	3.6
205.04922	7.8
205.08591	4.2
207.06558	30.1
209.04448	12.5
209.08107	8.9
211.05988	8.0
211.11327	3.1
215.06944	3.8
217.05002	7.6
217.08429	3.4
219.06488	7.3
219.10156	3.1
221.04436	27.7
223.06042	6.4
225.07581	31.8
225.09573	3.9
229.04892	4.8
231.06555	9.2
233.08073	6.0
235.06073	10.4
235.17007	3.9
237.07530	31.4
239.17953	6.1
243.06674	4.6
245.08054	5.3
247.06108	5.7
247.09721	7.9
247.16823	4.0
249.07520	16.2
251.09106	4.9
255.08540	8.5
257.08044	3.4
257.18997	15.0
261.07510	4.8
261.11185	4.4
263.09192	12.9
265.10721	45.6
273.11230	4.6
275.05466	3.2
275.20081	65.9
277.10794	3.8
285.11276	5.0
289.10800	7.6
291.12317	3.3
293.21097	2.9
299.20068	4.7
303.12381	18.4
303.15649	5.5
305.13913	12.0
313.10745	3.7
317.13806	7.0
317.21140	4.0
319.15491	8.6
321.16898	4.7
329.13852	5.5
331.15704	3.8
339.18210	5.0
353.21103	4.2
355.22787	3.3
361.16379	4.4
365.20486	3.4
381.20566	10.3
383.22369	5.7
389.15753	3.5
399.21677	56.0
401.23157	11.0
417.22653	21.8
419.24237	18.0
423.21664	9.8
437.25272	6.8
441.22797	49.9
457.21838	3.5
459.23773	29.2
487.19644	5.5
489.23065	4.1
507.24112	12.7
509.19937	8.1
525.24860	12.5
543.25385	5.2
549.24860	6.3
567.25989	22.2
585.26984	16.0
603.27960	33.2
621.28491	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	621.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83094	1.3
53.03947	7.3
55.01871	7.5
55.05516	22.7
57.03448	14.4
59.04989	2.7
61.02919	4.0
63.77624	1.5
64.74064	1.3
65.03934	3.3
67.01853	2.2
67.05508	42.2
68.99776	2.2
69.03432	13.2
69.07075	12.6
71.01336	4.5
71.04996	9.0
71.26226	3.3
73.02910	2.1
78.40479	1.5
78.51222	1.3
79.05071	2.5
79.05499	35.6
81.03421	35.9
81.07062	40.3
83.01345	3.2
83.04967	5.3
83.08620	12.0
85.02913	10.4
85.06546	3.6
91.05486	39.4
93.07050	34.2
95.04974	12.0
95.08613	24.2
97.02892	14.4
97.06514	5.8
97.10175	18.1
99.04453	3.6
103.05457	5.6
105.03382	2.5
105.07034	34.6
107.04951	8.2
107.08597	15.8
109.02896	12.7
109.06503	5.8
109.10145	12.0
111.04429	4.7
111.08092	1.7
113.02357	5.4
115.05455	3.5
117.07031	20.9
119.04903	3.1
119.08584	18.7
121.06486	9.6
121.10165	7.8
123.04435	7.5
123.08051	4.1
123.11690	2.3
125.02310	2.3
125.09632	15.1
127.03230	1.3
127.03941	13.4
128.06186	5.6
129.07028	21.4
131.04922	2.1
131.08575	23.1
133.02995	1.7
133.06499	8.2
133.10127	13.6
135.08047	7.6
135.11728	7.7
139.03885	5.0
141.01758	1.8
141.06984	5.7
142.07784	3.5
143.03435	2.7
143.04897	2.1
143.08575	10.6
145.06485	5.5
145.10152	17.3
147.04408	3.3
147.08031	6.6
147.11699	7.7
149.02354	2.8
149.09599	5.5
149.13255	2.8
151.03946	7.5
151.07515	2.1
153.09085	2.7
155.03421	17.6
155.08536	6.7
157.06491	4.8
157.10146	9.3
159.08052	4.0
159.11670	7.5
161.05952	4.5
161.09622	2.5
161.13252	4.3
163.03888	3.6
163.11171	5.4
165.05479	1.7
167.03445	5.1
167.07016	1.9
167.08444	2.8
169.01324	5.1
169.04988	13.3
169.06299	2.5
169.10126	5.1
171.08041	5.9
171.11688	6.3
173.04530	3.4
173.05923	1.8
173.09618	1.8
173.11806	2.1
173.13269	4.2
175.03944	2.2
175.07504	7.2
175.11157	3.6
177.05461	4.2
177.09117	1.6
177.12703	2.8
179.03419	30.4
179.06990	3.0
181.04968	3.7
181.06473	2.1
181.10083	2.6
183.02887	3.4
183.06604	1.9
183.11693	2.8
185.04436	10.5
185.05928	2.2
185.13229	4.2
187.02351	3.6
187.07579	2.9
187.11223	1.9
187.13248	1.9
187.14789	2.7
189.05486	2.8
189.09155	3.1
189.11237	5.7
189.12799	2.6
191.03429	2.6
193.04962	4.7
193.08511	3.5
195.02812	1.8
195.06509	3.2
195.11679	3.7
195.13805	1.6
197.04469	42.0
197.09512	1.8
197.13239	5.4
199.07530	4.2
200.20239	1.7
202.06497	1.8
203.03436	9.8
203.07021	7.6
203.14250	2.7
205.04999	6.4
205.15891	2.9
207.06520	6.2
207.11897	1.7
209.04437	2.7
209.11624	1.8
211.06012	4.8
211.13068	1.9
213.12730	3.9
215.14345	17.3
216.04118	5.1
217.04893	3.5
217.08600	8.0
219.06555	7.0
221.04523	20.8
221.08083	39.7
222.05171	1.9
223.05991	3.7
225.07593	4.8
227.06973	5.9
227.12671	8.5
229.05019	2.3
229.08517	1.8
231.06502	3.4
233.04390	1.7
233.08089	5.9
233.15283	2.1
235.05995	6.4
235.09630	2.0
237.07628	11.5
239.09109	8.0
241.08620	1.9
241.12236	2.4
243.06560	3.6
245.08089	22.9
247.06013	3.0
247.09639	3.2
249.07538	2.9
251.09140	3.6
255.08650	4.2
257.19055	3.4
259.09695	2.3
261.07523	5.5
263.09158	100.0
265.10797	7.4
273.07697	2.3
275.09164	2.0
275.19983	13.0
277.10800	1.7
279.08585	2.6
281.10223	80.7
285.14828	1.7
289.10834	1.7
291.12277	3.1
301.10651	2.6
303.12302	3.4
303.15701	3.0
305.10294	2.2
305.13818	2.2
311.16605	2.1
313.14240	3.7
329.10162	3.7
331.15463	12.2
349.21320	2.6
355.15198	2.5
365.21362	2.4
367.22632	7.7
372.05569	1.7
373.16537	5.5
377.19525	2.0
381.20605	4.5
385.23630	3.9
391.17191	1.8
399.21652	17.8
401.23148	3.1
403.24982	2.0
417.22708	6.1
419.24344	3.0
423.21445	3.3
441.26697	51.6
459.23157	16.8
459.27640	18.7
477.28876	3.0
482.06125	1.6
489.22498	1.6
507.23569	5.3
517.20990	2.0
519.25964	2.1
525.25140	9.1
535.21594	1.9
543.25604	2.8
549.24561	2.1
561.26685	3.6
567.25684	6.5
585.27106	12.1
603.28168	9.6
621.30432	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	621.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
55.01871	8.8
55.05517	43.7
56.95163	1.5
57.03429	5.6
59.04992	5.5
59.05258	1.3
61.02936	1.9
65.03934	3.1
66.01833	1.2
67.01871	1.9
67.05511	51.7
69.03430	21.9
69.07066	14.4
69.78133	7.3
71.01336	1.4
71.04992	8.9
73.02923	1.5
77.75172	1.3
79.05502	52.4
81.03424	43.0
81.07063	69.0
83.01334	2.3
83.04999	9.5
83.08154	2.2
83.08624	34.7
85.02921	10.4
85.06549	6.5
91.05489	33.1
93.06488	2.6
93.07053	35.8
95.04975	10.2
95.08620	16.6
97.02895	16.4
97.06535	4.1
97.09549	2.3
97.10180	37.3
98.20738	2.0
99.04453	5.5
99.08108	2.6
103.05479	6.7
105.07040	40.7
107.04961	7.2
107.08607	48.4
109.02886	29.4
109.06520	5.9
109.10165	13.5
110.62910	1.5
111.04430	3.3
111.08087	5.9
115.05483	4.6
117.07029	20.1
119.04988	1.5
119.08593	16.5
121.02892	2.0
121.06486	4.1
121.10157	8.8
123.04435	8.8
123.08104	3.4
123.11715	42.6
125.02335	2.4
125.09638	39.8
127.03929	23.9
128.06226	4.0
129.06979	10.0
130.07829	1.2
131.04916	2.0
131.08589	19.1
133.02844	2.3
133.06488	4.6
133.10141	29.6
135.08102	7.2
135.11707	2.6
137.05975	1.6
139.03868	3.9
141.06998	4.9
141.12820	1.3
143.03397	5.4
143.08548	8.0
143.10728	1.5
145.04909	1.5
145.06494	7.1
145.10133	14.4
147.04404	2.0
147.08040	2.8
147.11711	10.1
149.02324	4.4
149.09641	8.9
149.13269	1.5
151.03899	11.0
151.11185	7.1
153.07010	2.6
153.09125	4.6
155.03452	5.8
155.08549	6.0
157.10107	5.0
159.08162	1.7
159.11714	6.3
161.06044	2.5
161.09624	3.6
161.13275	2.9
163.03931	3.0
163.11252	2.0
165.06963	1.8
167.03410	11.8
167.08522	2.9
169.01379	2.4
169.05042	13.5
169.06450	2.6
169.10152	6.3
169.12262	5.5
171.08076	1.5
171.10266	2.5
171.11691	4.8
173.09645	2.7
173.11906	1.3
173.13297	3.7
175.04053	1.7
175.07582	1.7
175.11229	1.9
177.05469	1.5
177.12654	2.4
179.03413	24.5
179.08609	2.0
180.09059	1.3
181.04959	4.0
181.10187	3.5
181.12102	1.5
183.11703	3.7
185.04469	35.4
185.06030	3.2
185.09517	2.2
185.13353	2.0
187.11472	2.9
187.13307	73.5
187.14804	4.7
189.11229	28.9
193.05006	5.0
195.08122	1.5
195.11729	2.8
197.04474	69.8
197.09641	2.9
197.13249	6.7
199.11177	1.9
203.03427	12.3
205.04982	3.7
207.06537	1.8
209.04460	4.4
209.09740	1.7
209.13396	1.5
211.06029	7.5
213.11086	1.6
213.12785	8.3
215.10872	2.5
215.14313	34.4
219.06471	2.2
221.02480	2.5
221.04472	34.8
223.06009	3.2
224.78317	1.3
225.07588	8.3
227.12798	5.0
231.06516	2.3
231.10150	2.7
231.13762	4.0
235.06230	2.0
237.07492	2.4
241.12199	2.5
249.07547	8.3
249.11256	5.3
255.13956	1.6
257.19009	4.3
259.09711	2.4
273.11200	4.2
275.05527	2.2
275.20068	40.2
289.10822	3.6
291.12292	100.0
293.21185	1.7
295.12042	1.5
297.13309	2.7
303.12137	1.6
305.13876	3.8
313.16516	12.8
315.14542	7.4
317.20944	1.6
329.13943	1.8
339.12277	3.0
339.23157	1.8
343.45242	1.4
345.13440	3.6
347.14908	1.9
349.21503	3.6
364.57602	1.5
365.21130	2.8
367.22742	6.6
383.22110	5.9
385.23587	3.6
399.21674	5.4
401.23206	5.5
417.22769	10.9
419.24341	5.9
441.26578	72.2
459.22186	2.2
459.28326	26.8
472.53870	1.7
507.23923	2.7
509.20303	1.6
525.24768	3.5
567.25781	3.0
585.27490	2.8
603.28113	6.1
621.31824	8.6
621.48187	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	622.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.7
53.31398	2.0
55.01872	14.9
55.05514	19.2
57.03434	5.5
57.07080	3.5
61.02936	2.7
65.03940	2.3
67.05509	54.5
68.05836	3.5
69.03437	32.1
69.07074	23.3
71.01340	2.3
71.05000	11.8
73.02916	5.1
78.99540	1.9
79.05504	28.7
80.05828	3.5
81.03429	43.2
81.07069	60.9
81.77727	2.5
83.04989	3.6
83.08630	14.3
85.02908	13.7
85.06570	3.0
87.41908	2.6
91.05491	36.8
92.05820	4.3
93.07049	31.8
94.07372	5.3
95.05004	2.7
95.08612	49.3
97.02900	34.6
97.06525	4.2
97.10181	5.7
98.21513	5.2
99.04468	66.6
99.08131	3.8
101.02375	3.4
105.07039	42.7
105.07702	3.7
106.07385	10.0
107.04981	3.1
107.08605	16.5
108.08935	3.6
109.02881	41.6
109.10184	21.3
111.04488	11.5
117.07040	9.6
119.08605	32.5
120.08945	7.1
120.35605	2.1
121.06484	2.9
121.10162	17.2
122.10568	2.3
123.11745	9.6
127.02988	4.8
127.03926	100.0
129.07008	3.6
131.08597	13.4
132.08902	5.0
133.10144	35.0
134.10434	13.0
135.08095	4.0
135.11743	7.7
137.09669	7.3
145.04971	18.6
145.06125	2.5
145.06377	2.2
145.10094	7.4
146.10449	4.0
147.08119	3.1
147.11723	18.1
148.12093	4.2
149.09607	6.7
149.13226	4.5
150.10081	2.4
157.10098	3.4
159.11739	8.7
160.12079	3.6
161.13246	5.5
163.11258	2.7
171.11667	4.0
173.13242	6.6
174.13620	3.7
175.14906	5.0
185.04474	6.8
198.13634	2.3
224.60928	3.2
227.42883	2.7
229.19615	2.4
240.18266	2.7
245.22665	9.4
247.20657	2.9
257.19043	3.2
258.19525	4.3
261.22226	8.1
263.23776	19.4
275.20078	60.7
276.17575	4.9
276.20450	70.3
278.60095	2.3
279.23315	6.5
359.25793	6.6
371.25803	8.6
389.26901	4.4
402.23364	3.4
407.27945	13.0
419.23926	3.4
420.24554	4.9
425.29031	42.3
610.79761	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.2
55.05510	0.3
65.48650	0.1
67.05507	0.4
69.07079	0.2
70.64226	0.3
70.64581	0.3
79.05497	0.3
81.07054	0.6
83.08628	0.2
85.99589	0.1
91.05499	0.5
93.07053	0.6
95.08604	0.3
97.10192	0.3
105.07048	0.3
107.08611	0.4
109.10201	0.2
117.07021	0.2
119.08591	0.7
125.09611	0.3
129.07004	0.2
131.08542	0.3
145.06554	0.3
145.10236	0.2
209.10806	0.3
211.12376	0.2
223.08690	0.2
223.12296	0.4
224.13016	0.2
234.58159	0.2
271.17145	0.2
289.18015	0.5
375.16309	0.3
377.17599	0.5
378.18741	0.2
387.16135	0.3
388.17139	0.4
389.17740	1.0
390.18631	0.3
391.19308	1.6
392.19638	0.5
399.16336	0.3
400.17072	0.2
401.17682	0.7
402.18668	0.7
403.19519	1.7
404.20172	0.9
405.21130	2.0
406.21747	0.4
407.22452	1.3
415.19662	1.3
416.20142	0.6
417.16852	1.1
417.21765	2.0
418.17465	0.5
418.21854	0.7
419.17831	0.3
419.22812	3.5
420.23660	0.8
421.24249	0.3
428.16217	0.2
429.16525	0.5
429.20895	0.8
430.16977	1.3
430.22357	0.6
431.17929	2.9
431.23169	0.9
432.18399	1.2
432.23694	0.7
433.20264	6.6
434.21295	0.5
435.21851	0.5
443.18063	2.1
444.18958	2.4
445.19925	3.7
446.21161	2.8
447.22092	3.9
448.23169	1.0
449.23798	0.4
457.20251	0.7
458.20935	6.1
459.21823	5.2
460.22824	3.8
461.19150	0.9
462.20615	0.6
463.21304	1.8
465.23163	0.4
471.22134	0.6
472.22858	0.3
473.23428	0.7
475.21274	1.5
476.22079	1.1
477.22885	1.6
479.24438	0.2
485.23785	0.4
486.24472	0.5
487.25085	0.4
489.18481	0.4
489.23996	0.3
490.23874	0.4
491.24442	0.6
502.24673	0.2
503.21094	0.6
503.24524	0.6
504.24960	0.5
505.22800	0.8
507.20416	0.2
507.27713	0.4
513.22791	0.3
517.21979	0.9
518.23138	4.6
519.24176	0.6
521.21869	1.3
530.23187	0.3
531.23975	0.9
533.25586	8.2
534.25739	0.3
535.26862	1.6
545.25653	2.5
546.26312	0.9
548.23798	0.2
563.26526	5.2
573.25177	1.4
577.28595	1.1
590.25085	0.3
591.26239	0.3
593.27271	0.3
594.25269	0.2
605.27655	12.0
606.28754	0.4
623.28674	100.0
624.28961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
67.05502	0.8
69.07056	0.3
69.22905	0.3
77.92898	0.2
79.05511	0.9
81.03434	1.6
81.07060	0.9
83.08615	0.2
87.19035	0.2
91.05494	0.6
93.07064	1.1
93.71504	0.2
95.04994	0.5
95.08614	0.4
97.10196	0.3
97.57876	0.2
98.21582	0.4
105.07048	1.0
106.06559	0.2
107.08616	0.4
117.07035	0.4
118.06584	0.2
119.08627	0.4
120.08107	0.2
125.09677	0.3
128.06256	0.3
132.08167	0.3
133.10152	0.4
144.84955	0.3
145.10150	0.4
147.11722	0.3
155.08557	0.4
160.05275	0.3
173.06020	0.4
182.09744	0.3
183.09167	0.4
184.09990	0.4
185.10684	0.3
194.09840	0.3
195.09099	1.0
196.09985	0.7
197.10800	1.0
199.08730	0.3
207.09178	0.3
208.09854	0.5
209.10744	3.5
210.11400	1.4
210.96756	0.2
211.08687	0.7
211.12317	2.0
212.13106	0.5
221.10794	0.9
222.11351	0.4
223.08765	0.7
223.12300	3.6
224.09489	0.7
224.13060	4.2
224.72787	0.2
225.10152	1.2
225.13747	1.7
226.14655	0.4
234.11679	0.2
235.08728	0.7
235.12279	0.3
236.05661	0.4
236.09521	0.8
236.13113	0.3
237.10251	2.5
237.13863	2.8
238.10938	0.3
238.14603	1.1
239.08206	0.4
239.11792	0.5
239.15393	1.8
246.69221	0.2
247.12448	0.4
249.10368	1.0
249.14001	0.3
250.11014	1.3
251.08231	0.5
251.11897	0.9
252.12682	0.7
253.09732	0.3
253.13390	0.5
261.14053	0.4
263.08197	0.5
264.08917	0.5
265.09784	0.7
265.13425	2.3
266.14328	0.2
267.11200	0.2
267.14993	0.5
269.13025	0.3
275.15109	0.2
277.09851	1.0
279.11377	0.8
279.15085	0.2
281.08923	0.2
282.13824	0.3
286.13196	0.2
288.15143	0.3
291.90637	0.3
296.11722	0.6
297.12347	0.4
297.15790	0.3
299.15350	0.8
300.15179	0.3
302.16501	0.4
303.17624	0.4
305.09134	0.5
309.12546	0.4
311.13895	3.1
314.16888	0.3
317.18677	0.3
325.12109	0.5
328.14783	0.4
337.11972	0.7
338.13110	0.3
339.13651	0.4
340.14581	0.4
352.14630	0.3
366.16321	0.4
372.17072	0.3
373.19617	0.3
375.16278	0.4
389.17584	0.3
391.19522	1.0
392.20029	0.6
403.15167	0.4
403.19656	0.3
404.20255	0.4
405.16513	0.4
405.20901	0.9
406.21417	0.4
414.18268	0.3
416.17188	0.2
416.20361	0.3
417.16748	1.0
418.17300	1.0
419.18115	1.7
419.23535	0.4
420.19470	0.6
426.18250	0.3
428.16983	0.3
431.18851	0.8
432.19669	0.6
433.20224	2.6
434.21127	0.3
435.21790	0.4
441.21548	0.2
443.19180	0.2
445.20529	0.8
446.21704	0.3
447.17752	0.8
447.22186	1.0
448.18204	0.4
448.23187	0.4
449.23523	0.8
460.18811	0.3
461.18750	1.4
462.20660	0.4
463.21170	1.1
473.19980	0.3
475.21292	1.3
476.22015	1.8
477.23053	1.7
478.23743	0.3
487.20609	0.2
488.22403	0.3
489.22824	0.6
490.23563	0.3
503.24786	1.0
505.22214	0.7
507.24280	0.5
508.24249	0.3
517.22003	0.3
519.24512	0.3
520.24774	1.0
521.21204	0.4
522.26764	0.4
531.24152	1.2
533.21729	0.4
534.22778	0.7
535.26544	2.7
537.24762	0.3
547.23053	0.3
548.24347	2.3
549.25525	0.5
559.22998	0.2
563.26526	23.8
564.26709	0.7
580.26556	0.3
591.25952	5.0
594.24738	0.4
595.29254	1.5
623.28662	100.0
624.28601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.05513	0.7
58.37479	0.2
67.05521	1.5
69.07069	0.6
69.36824	2.2
73.49128	0.3
74.82397	0.2
78.15530	0.2
79.05505	1.3
81.07052	0.9
86.97672	0.3
91.05485	1.0
93.07050	0.9
95.08598	0.9
104.67977	0.2
105.07069	0.6
107.08575	0.4
109.10187	0.5
117.06988	0.4
119.08601	1.9
125.09539	0.3
129.07014	0.3
131.08609	0.4
145.10121	0.5
157.10165	0.5
159.08122	0.5
170.74251	0.3
173.09587	0.3
197.10612	0.3
209.81026	0.3
223.12355	0.4
225.14067	0.2
271.16992	0.4
275.20169	0.3
289.18109	0.6
338.16623	0.3
376.17221	0.3
390.18484	0.5
391.19296	1.6
392.20175	1.4
393.20856	0.3
403.19629	0.5
404.15842	0.4
404.20404	0.6
405.16531	0.6
405.21323	2.5
406.21817	1.8
407.22290	1.3
417.16592	0.5
417.21417	0.5
418.17630	2.3
419.17932	3.6
419.23267	1.0
420.19684	0.6
420.23608	4.0
421.24277	2.0
431.22916	0.3
432.19025	2.2
433.20023	7.8
434.20880	3.2
435.22031	0.9
446.20718	1.3
447.16754	0.4
447.22141	6.8
448.22864	5.0
449.19211	0.3
449.23575	3.0
450.20145	0.3
461.19370	0.9
461.23917	0.9
462.20215	1.2
463.21213	2.3
465.23010	0.7
475.20560	1.6
476.22037	5.5
477.22958	6.8
478.23474	0.4
479.24887	0.4
481.25610	0.3
489.23203	1.9
490.23520	0.5
491.24570	0.3
493.21890	0.3
493.26620	0.5
503.24521	1.5
505.22424	0.5
506.23309	0.4
507.20172	0.6
507.27887	0.6
508.24884	0.7
519.24292	0.7
520.24786	1.1
521.22211	1.0
531.23633	0.7
534.26404	3.2
535.27448	3.9
563.26550	27.7
564.26910	1.0
565.24469	0.7
579.26154	0.3
591.26349	0.9
594.28442	1.2
595.29095	1.2
623.28668	100.0
624.29108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.01861	0.3
55.05503	0.3
56.60859	0.2
67.00470	0.2
67.05509	1.0
68.21397	0.2
68.60963	0.2
69.07065	0.3
70.91148	0.3
70.91482	0.4
79.05502	0.8
81.07074	1.0
89.97677	0.2
91.05492	0.9
93.07023	0.5
95.08604	0.6
104.79677	0.2
105.07051	0.5
107.08629	0.3
119.08590	1.1
120.08134	0.3
121.10178	0.2
133.10162	0.3
135.08089	0.2
135.11725	0.3
139.24687	0.2
143.08527	0.4
145.10092	0.3
159.08069	0.4
173.09680	0.3
183.09250	0.2
196.09926	0.3
197.10568	0.3
209.10808	0.5
211.12390	0.3
221.10789	0.4
223.12274	0.4
235.12407	0.3
237.13817	0.4
249.10275	0.4
251.11818	0.3
253.13513	0.2
265.13354	0.4
271.17032	0.4
289.18015	0.5
327.13843	0.3
340.14529	0.2
354.16022	0.4
370.15570	0.2
374.16293	0.3
376.17212	0.2
377.17700	0.4
387.15613	0.3
388.17300	0.3
389.17786	0.9
390.18527	0.6
391.19437	1.7
392.20172	0.4
393.20612	0.4
401.17999	0.4
402.18661	0.5
403.14709	0.3
403.19812	1.2
404.20013	0.7
405.16479	0.5
405.21335	1.9
406.21710	1.1
407.22510	0.6
415.18979	0.6
416.19910	0.3
417.16296	1.2
417.21600	0.5
418.17798	0.9
419.17761	2.4
419.22824	1.3
420.19507	0.7
421.19568	0.2
421.24164	1.9
429.17068	0.8
430.17685	0.3
431.18475	1.0
431.22714	1.0
432.19272	1.4
433.20093	3.6
434.20599	1.0
435.21762	1.1
443.18167	0.6
444.19513	0.5
445.20285	2.9
446.21246	1.5
447.22470	3.6
448.23181	1.5
449.23502	4.4
450.24313	0.5
457.20401	0.7
458.21088	1.1
459.21970	1.8
460.22766	0.5
461.18826	2.3
462.20337	1.6
463.21289	1.9
475.20840	2.0
476.21988	4.9
477.22986	4.4
489.23367	1.9
490.23553	0.7
493.22314	0.3
502.23389	0.2
503.24850	1.2
505.22278	0.5
506.23560	0.4
508.24927	0.3
519.24457	0.4
521.22174	1.0
522.26544	0.3
531.23822	0.4
533.25616	2.5
534.23486	0.3
535.27502	3.3
545.25531	1.5
563.26520	19.7
564.26953	0.5
573.25018	0.3
591.26208	0.6
593.27539	0.6
595.28943	0.9
605.27728	2.6
606.28351	0.7
623.28662	100.0
624.29071	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97556	0.5
54.63551	0.5
55.05487	0.8
70.10534	1.3
70.10923	1.6
73.59470	0.7
77.42953	0.6
83.08636	0.9
93.07050	0.8
95.08613	1.1
98.21523	0.8
143.27631	0.7
275.91394	0.6
280.14703	0.6
306.41858	0.6
375.15717	0.6
391.19409	0.7
393.85556	0.7
405.20828	2.7
417.21112	1.0
419.18607	1.1
420.23248	0.9
429.20981	2.3
430.21820	0.8
433.20041	4.2
443.22626	1.1
444.23334	0.8
447.17734	6.5
448.22574	1.9
449.23575	1.8
451.34079	1.2
458.25284	0.8
459.21631	3.0
460.22659	1.0
461.19162	7.1
463.21365	0.7
472.22589	1.4
473.23508	1.9
475.20801	1.2
476.22067	18.1
477.22778	3.5
479.20465	1.4
485.23526	2.4
487.24631	1.0
489.19775	1.0
517.25775	0.9
519.23901	1.1
521.22046	0.9
531.23907	2.5
545.25531	12.7
563.26483	10.5
605.27594	3.3
623.28650	100.0
624.29028	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	623.2868
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
52.76173	0.3
53.03936	0.5
55.05520	3.4
65.03933	0.6
67.05508	3.7
69.03429	0.5
69.07064	1.1
79.05496	4.9
81.03418	0.5
81.07069	3.3
83.08618	0.7
90.21658	0.3
91.05502	3.5
93.07060	3.1
95.08593	2.2
97.10152	1.9
105.07029	1.6
107.08610	2.2
109.06565	0.4
109.10143	1.3
115.05477	0.9
117.07017	4.0
119.08607	3.5
121.10150	0.6
125.09652	1.7
128.06241	0.5
129.06978	0.5
131.08592	0.9
133.10164	0.9
135.08102	0.6
135.11736	0.5
141.06953	0.4
143.08582	1.2
145.06485	3.3
145.10143	1.0
146.06075	0.4
147.08144	0.4
147.11726	0.5
151.51280	0.4
153.09183	0.4
157.10120	0.8
159.08086	1.0
169.10149	0.4
173.09561	0.5
189.11200	1.9
209.10823	0.5
227.12880	1.0
236.00732	0.4
253.15955	0.5
271.16959	7.4
275.20090	0.6
289.17999	1.9
298.13385	0.4
304.62802	0.4
311.14264	0.5
335.26147	0.6
345.20718	0.8
375.15881	0.4
388.16736	0.5
389.17679	2.0
390.18539	0.8
391.19208	2.6
393.20642	0.6
403.19412	2.1
404.20160	1.1
405.20911	6.6
406.21521	1.2
416.20493	0.7
417.16580	4.6
417.21890	0.8
418.17526	2.6
419.18225	3.4
420.19293	0.7
421.20099	0.4
431.18338	3.9
432.19449	5.0
433.20175	7.3
434.21057	1.2
435.21912	1.0
443.18594	0.6
445.20502	2.1
446.21390	0.8
447.22037	1.1
448.22607	0.7
449.23895	1.8
459.21753	1.1
460.22852	0.5
461.19867	1.4
462.20618	1.2
463.21405	2.2
464.22324	0.6
475.21097	1.8
476.21973	3.8
477.23419	4.9
489.23004	1.2
491.24802	0.7
503.24728	0.8
507.23450	0.4
519.24011	15.1
520.24268	0.7
521.25592	1.1
535.26550	1.5
547.23425	0.6
549.24768	0.4
551.26465	0.5
563.26593	16.4
564.27490	0.6
579.26050	3.6
581.27496	1.9
591.25903	0.8
595.29510	1.0
605.41980	1.0
623.28668	100.0
623.42987	3.7
624.29053	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.287
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.46341	1.1
55.05504	2.3
55.92273	0.8
57.07067	1.0
67.05515	2.9
73.02934	1.4
79.05503	3.2
81.07066	3.8
82.56676	1.0
83.08623	1.1
84.99744	1.0
85.10146	1.0
89.06046	2.6
91.05490	4.5
93.07069	2.3
95.08626	2.3
97.10213	2.5
98.21532	2.8
105.07047	1.4
107.08613	1.9
116.88320	1.1
117.07030	3.3
119.08553	2.4
121.10175	1.4
125.09632	1.5
131.00342	1.1
133.08618	1.6
145.06525	3.6
189.11296	2.3
244.18251	1.3
271.16971	4.8
273.71030	1.1
377.18097	1.3
391.19339	3.0
392.20276	2.5
399.15982	1.7
403.20117	1.3
405.20901	3.2
406.21793	3.4
407.22449	7.7
408.38589	1.3
413.17633	1.2
414.18646	2.7
415.19382	3.4
419.18280	1.4
421.24194	9.4
422.24609	2.3
427.19547	1.5
428.20172	1.9
429.20764	8.9
430.21765	1.6
433.24493	2.3
443.22604	4.9
444.23361	2.9
452.73093	1.3
457.24762	1.7
458.24820	4.5
459.22043	4.9
461.19211	5.1
462.20609	1.2
472.22800	3.9
475.21262	5.8
476.22095	4.1
477.23077	2.5
485.23718	9.6
486.20016	1.4
488.22128	1.4
489.22787	1.6
499.21426	2.9
503.24588	4.6
507.23676	2.1
513.22882	2.4
517.26581	5.2
529.26215	1.6
531.24048	1.3
535.27155	3.9
545.25568	62.2
563.26276	3.0
573.25073	15.7
591.25702	1.2
605.27679	77.8
617.48920	1.6
623.28711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.27638	0.4
53.46251	0.4
55.01792	0.6
55.02017	0.3
55.05413	0.9
55.05664	0.8
67.05369	2.2
69.06918	1.5
69.07330	0.9
70.92231	0.9
74.73308	0.3
79.05342	2.0
79.05838	0.9
81.03305	0.7
81.06905	2.3
83.08509	0.9
91.05322	3.4
91.05941	0.7
93.06879	1.9
95.01179	0.5
95.04862	0.6
95.08440	1.9
97.06381	1.2
97.06946	0.6
105.06867	2.7
106.06449	0.3
106.19392	0.3
107.04850	0.5
107.08418	1.3
107.09237	0.3
109.06410	0.4
109.10065	0.7
117.06909	0.7
119.08395	2.3
121.10015	0.8
129.06897	0.6
131.08394	1.6
133.10106	1.8
143.08371	0.9
145.09941	1.7
147.11598	0.7
149.09468	0.5
159.11472	0.8
163.11008	0.7
168.07884	0.4
179.14136	0.6
183.09027	0.5
184.09698	0.6
185.10541	0.4
195.08951	1.0
196.09741	1.1
197.10606	0.8
207.09047	0.7
208.09767	0.6
209.10701	3.5
210.11520	1.9
211.08585	0.7
211.12323	2.9
212.12819	0.4
221.10579	1.2
222.11319	1.2
222.13095	0.5
223.08459	0.9
223.12276	5.0
224.09325	0.6
224.13092	5.7
225.10214	2.1
225.13896	1.8
235.08501	0.9
236.09354	0.8
237.10265	2.8
237.13858	4.2
238.10748	0.9
238.14452	1.5
239.11595	0.6
239.15527	3.1
239.17743	0.7
247.12180	0.5
248.12971	0.5
249.10019	0.8
250.10779	1.6
251.07973	0.8
251.11617	1.4
252.12354	1.5
253.13367	0.7
257.18857	0.6
261.13507	0.4
263.07898	1.2
263.15225	0.5
265.09436	0.6
265.13177	3.8
266.13889	0.4
267.14719	1.3
275.20035	4.5
277.09500	1.0
279.11188	0.9
283.10797	0.5
296.11383	1.2
297.12329	0.6
305.08972	0.5
311.10782	0.5
311.13904	5.3
324.11035	0.5
337.11487	0.7
339.13651	0.6
352.14517	0.7
354.15869	0.6
390.18591	0.5
391.19266	0.8
392.19739	0.4
402.18613	0.4
403.19696	0.6
405.20602	1.1
406.21729	0.5
416.16840	0.7
417.16956	1.2
417.21533	0.6
418.17496	2.2
419.18228	3.1
421.24118	0.7
430.19073	0.5
431.18811	1.1
432.19513	0.5
433.20273	4.5
434.20938	0.5
435.22122	0.4
445.20914	0.7
446.16223	0.5
446.21515	0.7
447.17117	0.8
447.21777	1.6
448.22510	1.3
449.23343	1.7
454.17365	0.5
459.18216	0.6
459.21786	0.3
460.18793	0.6
461.18793	1.9
462.19827	0.5
463.21094	0.9
473.19287	0.4
475.21146	0.7
476.21936	3.4
477.22894	4.3
488.22296	0.5
489.22748	0.8
490.23575	0.6
493.22147	0.5
502.69070	0.4
503.24307	1.1
507.28363	0.7
518.24683	0.7
520.24634	1.2
521.25714	1.7
531.23669	1.1
533.21912	1.5
534.22900	1.2
535.27466	6.4
545.25745	0.6
548.24298	5.3
563.26544	64.3
564.27094	1.0
591.26178	2.6
595.29437	2.4
623.28668	100.0
623.42950	4.0
624.28900	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.90016	0.2
67.05490	0.6
69.16200	2.7
72.05010	0.3
73.63710	0.2
79.05482	0.4
81.07034	0.4
91.05491	0.3
93.07030	0.4
94.07751	0.3
95.08579	0.6
105.07024	0.4
107.08572	0.4
117.07035	0.4
119.08559	0.5
145.06522	0.4
188.82637	0.3
219.09203	0.3
237.13826	0.3
240.30095	0.2
271.16922	0.5
289.17798	0.3
312.14996	0.3
384.39093	0.2
389.17783	0.3
390.17841	0.3
391.19119	0.5
392.19928	0.3
400.16708	0.5
402.19540	0.4
403.19193	0.6
404.20273	0.8
405.20493	0.8
406.21408	0.6
413.17914	1.0
414.18466	1.1
415.19135	2.0
416.20441	0.6
417.16537	0.4
417.21353	0.5
418.17160	0.5
418.21951	0.4
419.17584	0.5
419.22992	1.3
420.22870	0.5
421.23880	0.5
427.19318	0.7
428.20126	1.1
429.20898	5.6
430.21777	1.1
431.17984	1.2
432.19244	0.9
433.19388	1.0
433.23898	1.7
434.21014	0.6
435.21545	0.6
441.17078	0.4
442.21539	0.4
443.22665	3.2
444.23734	2.3
445.19623	0.8
445.24377	1.0
446.20822	0.8
447.22400	2.4
448.21878	0.9
449.23068	1.7
455.18506	0.3
456.19397	0.4
457.19214	0.7
457.24030	1.3
458.24948	2.2
459.21576	3.4
460.22891	1.8
461.18634	0.8
461.23416	2.3
462.20496	2.2
463.21350	0.9
470.20837	0.5
471.21863	1.0
472.22763	3.3
473.23648	2.6
474.25204	0.4
475.20963	1.6
476.21582	2.6
477.22626	3.5
485.23453	5.3
486.24191	1.4
487.25485	2.7
488.22205	0.4
489.22922	1.4
490.24033	0.4
491.20615	0.4
502.23557	0.4
503.24451	2.6
504.24655	0.3
505.22342	0.3
513.22577	0.5
517.26270	2.7
518.23499	0.4
519.24139	1.2
520.24469	0.4
521.22125	1.0
531.23895	4.4
535.26874	1.9
545.25525	42.1
546.26239	1.5
561.24701	0.6
562.25439	0.8
563.26190	17.0
564.26794	0.3
573.24976	0.4
577.28308	0.7
591.25995	1.0
595.28845	0.5
605.27704	4.4
623.28528	100.0
624.28400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01867	4.4
55.05524	15.6
57.03421	6.2
57.07070	3.8
61.02925	2.2
65.03916	2.9
67.05186	3.0
67.05511	46.6
69.03420	8.3
69.07063	12.0
71.04997	2.1
71.08639	18.2
71.47964	4.0
79.05493	42.6
81.03425	43.4
81.07062	54.7
81.15643	2.0
83.04965	7.8
83.08620	11.0
85.02889	5.2
85.06557	2.7
86.91998	2.0
91.04976	3.3
91.05489	36.4
93.06489	2.7
93.07050	53.5
94.24016	2.0
95.04955	8.6
95.08613	30.5
97.02885	7.6
97.06506	6.9
97.10152	8.6
98.68044	1.9
99.04442	3.4
99.08099	12.0
105.04507	3.7
105.06399	2.6
105.07034	25.7
107.04952	6.5
107.07979	2.6
107.08601	32.0
109.02891	19.6
109.06522	6.3
109.10173	20.2
111.08146	2.0
113.90313	2.1
115.05438	3.8
117.06212	2.1
117.07014	7.9
119.08594	20.5
121.06499	3.7
121.10152	22.3
123.08096	3.3
123.11719	4.0
125.09672	5.0
127.03932	19.9
129.07002	5.2
131.08585	9.7
133.10130	19.7
135.08070	4.2
135.11719	28.2
137.09637	3.6
143.08578	4.8
145.06482	4.7
145.10132	10.0
147.11693	11.0
149.02344	2.8
149.13231	8.6
151.11183	8.1
155.03381	2.6
157.10216	4.9
159.11716	9.9
161.05956	5.0
161.09666	2.0
161.13255	9.0
163.11186	5.6
165.09035	2.2
167.03363	8.2
169.10165	2.0
171.11682	3.5
173.05969	5.2
173.13200	4.6
175.14758	3.1
177.12695	2.9
179.03404	3.7
179.14322	65.6
185.04460	29.0
189.11186	3.5
189.12718	2.4
195.13834	3.3
197.04518	10.8
221.15324	3.2
235.16859	2.9
241.19460	3.9
253.00810	2.2
259.20587	10.6
265.10782	1.8
271.13336	4.5
275.19977	7.2
277.21640	100.0
287.16354	7.1
311.25714	3.4
335.25577	2.8
362.97067	2.0
385.23492	3.2
401.23291	5.1
403.24728	7.3
421.26047	10.4
439.26785	2.7
443.23981	2.8
563.26025	4.7
590.06201	2.4
605.41638	4.3
623.28082	12.5
623.40869	9.0
631.69922	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03951	3.1
55.01863	3.7
55.05516	12.4
57.03444	5.6
57.07075	1.0
61.02643	1.7
61.02930	18.4
65.03955	1.0
67.05512	28.6
68.63523	1.2
69.03440	5.1
69.07071	12.0
69.38694	9.0
69.43777	1.0
71.04995	2.1
71.44943	1.2
73.02916	4.8
79.05064	2.1
79.05499	23.8
81.03429	3.6
81.07063	25.6
83.04986	3.2
83.08638	8.5
83.09085	1.6
85.02911	14.4
85.06554	2.4
91.03964	8.2
91.05486	32.2
93.07056	21.9
95.04981	4.5
95.08617	16.6
97.02895	10.5
97.06541	4.2
97.10159	2.5
99.04468	1.5
99.08072	1.4
103.05462	1.9
105.07036	25.5
107.04964	3.3
107.08612	11.2
109.02905	1.7
109.06531	5.2
109.10189	7.2
111.08110	3.2
115.05463	3.8
117.07030	23.0
119.04926	2.5
119.08597	14.8
121.06520	4.7
121.10165	6.5
123.08089	3.4
125.09635	2.6
127.03941	1.6
128.06233	4.8
129.07011	24.0
131.08586	31.9
131.09543	2.3
133.06493	4.7
133.10136	9.8
133.28786	1.0
135.08044	3.8
135.11697	3.7
137.05930	1.0
137.09595	1.5
141.07013	11.0
142.07845	2.6
143.08586	21.9
145.04935	2.0
145.06508	4.5
145.10150	16.1
146.92216	1.0
147.08086	4.5
147.11710	4.2
149.09665	4.1
153.06967	2.1
154.07831	2.0
155.08575	16.9
157.06516	2.0
157.10126	11.8
159.08093	4.0
159.11691	6.9
161.09659	2.7
161.13306	1.2
163.11185	1.7
165.07030	2.4
166.07811	1.3
167.08571	10.2
168.09372	1.3
169.10130	10.4
171.08101	1.7
171.11702	6.2
173.09628	2.9
173.13277	2.4
175.11188	2.7
177.12793	3.2
179.08621	2.5
181.10170	7.6
182.10922	1.5
183.08078	1.5
183.11713	7.9
185.09657	2.7
185.13248	5.0
187.11237	2.4
187.14818	1.9
189.12750	1.4
193.10132	3.7
193.12077	1.0
195.11664	9.8
197.09702	1.5
197.13316	3.8
197.46375	1.0
199.11234	1.2
199.14825	4.0
201.12738	2.3
205.10205	1.4
207.11646	2.8
207.13545	0.9
209.13306	4.7
211.11203	1.7
211.13095	1.5
211.14870	3.3
213.12781	4.1
213.16354	1.4
215.14392	5.8
217.15833	1.3
219.11708	1.7
221.13269	4.6
223.14879	6.3
225.12775	3.2
225.16525	1.1
227.14447	1.7
227.18008	1.1
229.14127	1.4
229.16089	1.7
233.13295	2.1
235.14819	2.5
237.16370	2.3
239.14337	3.6
241.16034	2.8
243.17552	1.8
245.15434	1.4
247.14877	1.2
247.17160	1.4
249.16541	1.6
251.14050	1.3
253.15976	3.0
255.17447	1.1
257.15393	3.8
259.17047	1.6
267.17435	1.7
269.15118	1.4
271.16919	3.0
275.16208	1.2
285.18484	1.7
289.18030	1.6
315.20892	1.2
323.23724	3.9
333.22168	9.7
341.24963	5.0
341.28323	1.1
351.23215	34.4
369.24323	24.0
369.28482	0.8
387.25327	13.0
389.24399	1.5
396.04794	1.0
407.25739	1.7
415.28403	1.9
425.26874	8.7
433.29459	2.3
443.27985	100.0
461.29028	71.1
461.34171	0.9
485.28668	1.3
503.30090	1.3
587.31537	2.1
605.32538	2.0
623.34204	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	625.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
63.16751	0.1
65.03934	1.8
67.07404	0.1
68.99799	0.5
69.03428	0.2
69.67653	0.3
69.68065	0.5
71.01353	1.4
74.66525	0.1
85.02906	1.5
89.03941	0.2
91.05485	12.3
91.73799	0.1
94.04206	0.9
95.01353	0.2
95.04974	0.3
97.02907	0.7
98.20728	0.2
99.00835	0.3
103.05473	0.2
105.07053	0.4
107.04953	0.5
109.02874	0.2
111.00807	0.3
113.02360	0.5
117.03405	0.2
117.07001	0.3
119.04945	29.7
121.02885	0.8
123.04507	0.2
128.06239	0.3
129.07031	0.1
131.04933	1.5
131.08594	0.2
132.05701	2.5
133.06491	2.1
134.03627	0.2
135.04393	0.7
137.02321	0.8
141.01830	0.4
141.07021	0.4
144.05733	0.2
145.02827	0.3
145.06480	1.4
146.07304	0.3
147.04411	100.0
148.04790	0.5
149.05981	0.4
153.01817	0.9
155.04874	0.2
155.06102	0.2
157.06503	2.0
159.04460	0.3
159.08037	0.3
160.05188	0.3
161.06009	0.9
163.03929	1.6
165.01845	0.7
165.05464	1.2
169.06497	1.0
171.04340	0.2
171.08029	0.3
173.06000	1.4
174.06749	2.0
175.03929	0.6
175.07518	0.1
177.05478	1.9
183.02921	0.4
183.04385	0.2
184.05228	0.2
185.05949	1.5
187.03920	0.2
187.07562	1.0
188.04716	0.2
189.05469	0.7
197.06009	0.7
201.05447	1.3
202.06241	3.7
203.07011	1.3
206.76813	0.1
210.38254	0.2
213.05484	2.4
215.07027	0.9
225.05481	0.2
229.04947	1.3
230.05745	16.1
231.06531	2.4
241.04926	2.4
243.06543	2.9
246.05118	0.4
247.06001	0.2
257.04407	0.7
259.06042	3.5
261.07587	2.1
269.04459	4.9
274.04559	0.1
275.05695	0.2
277.07135	0.2
285.04053	0.4
287.05493	2.8
303.04999	27.8
304.05453	0.3
305.06531	2.7
323.07614	9.7
440.94424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.01582	0.2
53.03944	0.5
56.50506	0.2
57.03429	0.5
63.02371	0.5
65.03917	0.3
67.59374	0.2
68.99813	0.7
69.03418	0.4
70.67041	0.3
70.67374	0.5
71.01359	3.3
73.02937	1.0
79.05494	1.4
84.04562	0.2
85.02911	4.7
89.03921	9.0
91.05482	0.6
95.01338	0.9
95.04965	0.3
97.02887	0.7
101.02413	0.4
101.28551	0.2
102.04735	0.3
103.05492	0.6
105.03419	0.3
107.04962	2.6
110.03657	0.3
111.00803	0.8
113.02377	2.2
115.05437	0.4
117.03381	11.1
121.02892	1.7
123.04424	0.5
127.64294	0.3
129.07036	0.6
131.03415	0.8
131.04950	1.3
133.02841	0.2
135.04424	20.0
137.02348	0.8
139.05406	0.2
141.01874	1.4
141.06953	0.3
144.05788	0.4
145.02861	13.6
145.03949	0.6
145.06528	0.4
146.03630	0.5
147.04420	2.5
148.05215	2.7
149.05984	0.8
150.03104	0.3
153.01826	2.6
155.04922	0.6
157.06473	0.9
159.02878	0.9
159.04404	0.5
161.06010	1.2
163.03908	90.6
164.04224	0.4
165.01845	1.7
171.04463	0.6
172.05193	1.0
173.05997	1.1
175.03931	3.5
176.04706	1.7
177.05469	0.8
181.04964	1.7
183.02910	0.7
183.04369	0.5
185.05981	1.4
187.03946	0.6
189.01665	0.3
189.05508	1.3
190.06248	1.1
191.03397	2.3
193.04962	1.0
197.05931	0.3
200.04642	1.9
201.05475	1.8
202.02602	1.2
203.07037	0.8
205.04994	0.7
211.03877	0.5
213.05466	2.2
217.04980	1.3
218.05730	2.0
219.06580	1.1
228.04166	0.5
229.04977	2.6
231.06555	1.7
239.03378	0.3
241.04926	1.1
246.05243	18.8
247.06065	2.1
257.04443	3.1
257.18295	0.3
258.05273	0.9
259.06012	2.6
260.21194	0.2
269.04385	0.2
269.17465	0.3
275.05463	2.6
277.07132	1.7
285.03937	4.1
285.09268	0.2
287.05502	100.0
288.05756	0.8
303.04919	1.3
321.06094	1.7
339.07123	9.6
445.07193	0.3
463.08752	2.2
544.08405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.1
56.31894	0.1
57.03435	0.3
65.03941	1.8
68.99806	0.3
69.03455	0.2
69.88046	0.8
71.01356	1.2
73.02920	0.4
85.02911	1.8
91.05485	17.0
93.03417	0.2
94.04217	0.8
95.01316	0.2
95.04990	0.2
96.22678	0.1
97.02895	0.6
99.00818	0.2
105.07036	0.4
107.04984	0.3
109.02894	0.4
111.00807	0.4
113.02371	0.8
119.04949	34.9
121.02866	0.8
123.04473	0.2
127.03861	0.2
128.06221	0.2
129.07031	0.3
131.03433	0.3
131.04935	1.3
131.08569	0.2
132.05699	1.8
133.06496	1.5
134.03630	0.1
137.02321	1.0
141.01849	0.3
141.07033	0.3
145.06456	0.7
146.07338	0.3
147.04417	100.0
148.04753	0.6
149.05971	0.2
153.01834	1.3
157.06519	1.3
158.29846	0.1
159.02914	0.4
159.04391	0.3
159.07988	0.3
160.05235	0.5
161.05974	0.7
163.03926	0.3
165.01872	0.7
165.05463	1.4
169.06505	0.6
173.06007	1.0
174.06744	1.3
174.49193	0.2
175.03896	0.4
175.07492	0.2
177.05518	1.3
183.02852	0.3
184.05264	0.2
185.05989	1.3
187.07564	0.5
189.05486	0.3
197.05984	0.4
201.05440	1.1
202.06248	2.4
203.07043	0.9
213.05484	2.0
215.03433	0.3
215.07054	0.9
219.06558	0.2
225.05571	0.2
229.04919	1.2
230.05757	12.5
231.06506	1.7
241.05016	1.7
243.06564	2.1
247.06042	0.3
257.04355	1.0
259.06018	2.3
261.04770	0.2
261.07507	1.4
269.04446	3.9
274.04956	0.2
285.04059	0.4
287.05502	1.3
287.63953	0.2
302.04150	0.2
303.05008	37.5
304.05341	0.4
305.06491	1.7
323.03833	0.2
323.07620	4.9
355.21381	0.2
479.08102	0.3
608.49902	0.2
627.09088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.03443	2.0
68.99805	0.3
69.03435	0.3
69.49085	1.6
70.06590	0.5
71.01334	0.8
71.04996	7.7
72.08137	0.3
73.02915	1.7
75.04477	0.4
83.04969	0.3
84.04482	0.3
84.08150	0.3
85.02906	11.6
87.04465	0.3
95.01331	0.7
97.02909	0.6
99.00846	0.3
101.02347	0.3
111.00820	0.7
111.04425	0.4
113.02368	1.7
121.02850	0.5
122.11563	0.2
129.05496	1.6
131.03415	1.2
137.02347	2.8
137.31270	0.2
141.01848	1.1
149.02338	0.5
153.01828	2.7
159.02919	1.1
163.03859	0.8
165.01834	1.4
183.02895	0.5
201.05452	0.8
209.69762	0.2
229.05003	2.8
247.06007	0.6
257.04489	2.1
274.04672	0.6
285.03967	1.0
294.27893	0.3
303.04984	100.0
304.05319	0.8
315.05072	0.3
345.05820	0.6
449.10977	1.3
479.08124	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	625.1404
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
55.01866	0.3
57.03447	0.7
61.02923	0.2
68.99805	0.3
69.03431	1.2
70.06592	0.2
71.01376	0.6
71.52501	0.2
73.02919	1.7
81.03411	0.6
83.01334	0.2
85.02911	8.6
86.09682	0.2
91.03970	0.3
95.01334	1.6
97.02898	1.8
99.04454	0.3
101.02346	0.2
103.03937	0.5
105.03434	0.2
107.04950	0.2
109.02876	0.5
111.00809	0.5
113.02378	1.9
121.02873	1.7
121.51479	0.1
123.04394	0.2
127.03933	1.6
131.03418	1.0
133.02821	0.3
137.02341	0.4
141.01843	3.3
145.04965	2.3
147.04398	0.5
153.01839	2.7
157.06519	0.2
159.02917	1.0
161.05954	0.2
163.03833	0.1
165.01843	1.5
171.04449	0.2
183.02907	0.5
185.05943	0.3
185.18311	0.1
201.05580	0.1
203.07092	0.2
213.05554	0.8
231.06523	0.7
241.04948	0.7
243.68120	0.1
258.05237	1.0
259.06000	0.4
269.04449	0.2
270.05148	0.2
287.05508	100.0
288.05807	0.9
312.06079	0.2
317.06430	0.2
329.06564	0.4
332.42010	0.1
369.39917	0.1
449.10840	15.5
625.26837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05504	3.0
57.03431	2.8
61.02909	1.7
67.05522	8.2
69.03426	4.5
69.07043	2.5
71.52415	2.0
79.05495	7.3
81.03428	6.7
81.07063	8.5
82.07378	1.2
83.04971	3.2
83.08610	2.1
84.60997	1.1
85.02917	3.4
86.09702	1.5
89.03905	5.0
91.05476	8.0
93.07038	4.5
95.04979	3.8
95.08606	4.3
97.02879	2.6
97.10139	1.5
99.04488	1.3
100.72030	1.0
105.07011	4.3
107.04967	1.6
107.08604	2.3
109.02904	1.5
109.06496	2.9
109.10145	2.9
111.04433	2.5
117.03391	15.4
117.07044	1.8
119.08607	3.1
121.06525	2.8
121.10152	2.4
127.03934	2.5
129.06935	2.2
131.03159	1.0
131.08572	3.1
133.10133	3.6
135.04448	1.3
135.11705	1.2
137.02356	1.8
137.05954	4.6
145.02847	50.5
145.06480	1.9
145.10133	1.5
147.04431	1.9
147.11659	1.7
149.06018	7.1
157.10115	2.1
163.03944	2.4
165.09164	1.2
167.03374	1.2
173.04517	1.5
177.05475	100.0
184.07330	2.3
186.05550	2.1
197.04550	1.3
197.06290	1.2
201.61375	1.3
211.13240	1.7
217.36516	1.1
223.05911	1.4
227.12680	1.2
231.06474	2.8
247.06212	1.5
287.05673	1.5
287.09259	1.3
299.05585	2.2
303.05063	5.5
305.10202	17.1
315.04877	2.0
323.11197	5.0
327.04993	3.1
345.06229	1.6
395.07693	1.3
415.70584	1.2
431.09802	1.7
462.29282	4.4
607.31226	2.0
624.34589	2.2
625.14935	3.6
625.31793	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1552
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.01863	0.3
55.54521	0.3
60.99036	0.3
63.02369	0.4
68.99780	0.5
70.42522	0.8
76.76164	0.2
77.49574	0.3
79.05487	0.3
81.03405	0.4
81.07053	0.3
85.02898	0.8
89.03918	5.8
91.05509	1.2
95.08589	0.3
97.02871	0.3
97.31136	0.3
99.04475	0.3
105.03418	0.3
106.04178	0.5
107.04987	0.4
109.02870	0.5
111.00821	0.5
117.03384	20.3
119.04922	1.4
121.02888	1.6
134.03683	1.5
135.04402	1.1
137.02396	0.3
145.02847	52.6
147.04407	4.1
149.05974	7.2
153.01854	3.0
156.92857	0.3
158.05997	0.4
162.03186	0.4
163.03897	1.3
165.01810	1.5
171.04530	0.3
177.05470	100.0
178.05919	0.3
183.02904	0.7
185.05980	0.4
186.03969	0.3
186.05455	1.4
195.06627	0.3
201.05356	0.2
213.05432	1.4
215.89864	0.3
229.04901	0.3
230.05678	0.3
231.06511	0.5
241.04999	0.6
258.05264	1.0
259.06003	0.4
261.07584	0.6
279.08640	0.4
287.05496	70.0
288.05942	0.6
303.05057	0.5
303.08389	0.3
321.09756	1.1
329.06494	0.6
339.10751	9.1
407.07642	0.7
465.90479	0.3
522.24988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96970	0.5
53.03949	2.6
53.10790	0.5
55.01866	2.0
55.05503	1.9
57.03433	0.9
61.02925	0.9
67.05508	4.2
68.49010	0.4
69.03431	1.2
69.07083	1.0
71.05000	1.1
73.02911	0.7
79.05483	2.9
81.03430	3.1
81.07066	4.8
83.04986	1.0
83.08609	1.1
85.02905	2.0
86.09723	0.6
91.05491	9.9
93.06481	0.6
93.07056	9.2
95.04981	2.9
95.08606	1.8
97.02885	1.2
97.06553	1.3
103.03932	0.5
103.05475	5.5
103.83396	0.4
105.04525	0.9
105.07008	2.5
107.04961	1.0
107.08573	1.6
109.02900	0.8
109.06530	1.1
109.10152	1.5
111.04463	0.7
114.46879	0.5
115.05466	2.0
117.07081	0.8
119.04942	2.6
119.08589	1.3
121.06521	36.8
121.10124	0.9
122.03632	0.7
123.04413	1.2
125.09533	0.5
131.08580	1.1
132.64656	0.5
133.06459	0.7
133.10115	1.3
134.03624	0.6
135.04433	0.9
135.11667	0.8
136.07573	0.6
137.05992	8.3
138.09169	6.6
143.04942	2.3
143.08533	0.8
145.06461	1.3
145.10031	0.7
147.04445	2.5
147.08136	0.7
149.05962	2.9
149.13347	0.5
150.06778	2.1
151.03914	1.7
151.11189	0.5
152.07060	0.7
152.55534	0.5
158.03705	1.1
161.05870	0.5
163.03943	0.9
164.07092	3.9
165.07019	0.6
168.27431	0.5
173.04709	0.6
173.06006	4.1
175.03941	4.1
175.07576	1.8
176.06288	0.7
177.05565	1.1
177.07019	1.9
179.08578	0.6
184.07323	0.8
186.03142	6.5
187.03923	0.8
189.05473	0.8
189.07079	0.7
191.08571	0.8
194.07323	1.9
201.05484	15.2
203.07079	1.5
203.08772	0.7
204.05765	1.0
205.06490	11.1
206.07304	0.9
207.08102	1.2
209.09595	0.6
211.07559	0.6
217.06418	0.5
219.08087	1.7
221.06107	2.3
222.04791	0.7
222.06801	6.1
223.07451	0.9
227.07065	1.3
233.06001	13.6
233.08371	0.7
234.06879	2.8
235.07562	2.7
236.04666	1.1
236.08328	0.7
237.05605	0.7
237.09143	7.7
239.07059	1.4
243.15869	0.6
247.07492	3.0
248.04440	0.9
248.08415	1.0
249.03018	0.7
249.05452	4.0
250.06259	9.9
251.07054	2.8
252.07733	0.7
253.04951	0.5
253.08511	0.5
254.05756	0.9
261.05597	2.7
262.06253	1.2
263.07089	2.7
264.07846	6.2
265.05099	3.4
265.08640	18.7
266.09381	2.1
267.06461	2.7
269.17526	0.8
272.12799	1.0
275.07104	1.3
276.04132	1.2
277.04935	2.5
278.05780	6.0
279.06635	1.3
279.10178	2.7
280.07294	2.3
281.08170	1.2
282.08969	1.9
283.09598	0.6
291.06595	1.4
292.03940	0.8
292.07309	19.4
293.04529	3.9
293.08118	20.6
293.11438	1.0
294.08737	0.9
295.06052	2.1
295.09210	0.9
297.11304	3.7
299.12845	1.4
304.03616	1.2
307.09677	36.0
308.06818	21.0
310.08380	4.0
319.06042	2.2
321.03839	0.5
323.09155	12.4
323.86649	0.5
325.10742	100.0
326.11072	1.4
336.06244	4.5
351.08676	56.5
352.09134	0.6
371.25012	0.6
381.26697	0.5
443.28134	0.8
444.27838	0.7
445.28998	1.4
462.19165	42.1
463.19455	0.7
463.29953	3.2
488.17087	6.4
572.59943	0.5
625.25134	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	625.2547
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02387	0.8
53.03939	2.6
53.21543	0.6
55.01874	0.9
55.05485	0.6
56.34989	0.5
57.03429	0.8
61.02930	0.7
67.05504	1.8
69.03390	0.8
69.07074	0.8
70.06583	0.8
71.53037	0.6
79.05484	1.0
81.03418	3.2
81.07050	1.0
85.02887	2.0
86.09725	0.6
91.05486	12.3
93.07050	14.0
95.04954	2.7
97.02885	1.6
103.05473	11.2
105.04530	1.4
105.07024	1.6
107.08605	0.7
109.02949	0.8
111.04485	0.6
117.07048	1.2
119.04945	1.2
119.08549	1.0
121.06511	91.4
123.04412	0.8
123.08116	0.6
125.05952	0.9
127.03873	0.9
131.08517	0.8
133.10149	1.2
135.04428	1.0
137.05968	0.9
141.03339	3.2
147.04416	3.1
149.05914	0.7
151.07539	1.8
151.11160	0.7
163.03905	1.4
164.07079	5.7
173.05937	1.2
177.05527	1.3
182.66357	0.7
191.07097	3.2
195.62653	0.6
201.05383	71.9
202.06058	0.6
205.06531	3.8
207.08148	0.6
219.08041	1.1
220.05309	2.9
221.06078	0.9
222.06859	2.9
223.06000	3.4
233.06035	2.1
234.06819	2.9
235.07523	8.8
237.05467	0.8
237.09135	11.8
239.07161	1.4
243.06451	0.8
244.06084	2.2
247.07536	3.1
248.04706	2.8
248.82130	0.7
249.05557	3.4
250.06255	5.0
251.07109	0.7
262.08478	0.7
263.07037	13.4
264.07758	1.5
265.05127	2.1
265.08606	26.8
266.09457	1.1
267.06619	1.5
267.16028	0.7
276.04254	0.9
279.08411	5.1
280.07303	4.5
281.08072	0.8
282.08896	37.1
287.05542	1.0
291.06506	16.4
295.09644	1.1
297.07855	0.9
297.11215	18.1
299.09219	0.6
303.05115	1.6
308.06909	1.6
313.10779	2.1
323.09146	53.8
324.09311	0.7
340.11636	0.9
364.11792	13.4
369.09833	0.9
460.17584	56.8
461.18158	0.9
488.17081	100.0
489.17279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
67.05517	1.0
69.07080	0.3
70.10822	0.6
70.11219	0.4
70.34464	0.2
79.05508	0.9
81.07059	0.7
83.08620	0.3
91.05488	0.7
93.07042	0.8
93.07581	0.2
95.04994	0.2
95.08614	0.5
96.53332	0.2
97.10153	0.3
105.07052	0.3
107.08613	0.4
109.10175	0.3
117.07060	0.4
119.08607	0.4
121.10182	0.2
131.08563	0.4
133.10136	0.3
143.08617	0.2
145.10121	0.2
155.08533	0.2
171.11908	0.2
232.20409	0.2
237.62090	0.2
271.16989	0.3
352.05435	0.2
363.16086	0.2
377.17755	1.0
378.18256	0.5
379.19281	0.7
389.17752	0.3
390.18530	0.5
391.15005	0.3
391.19501	1.1
392.19995	1.1
393.20853	1.3
395.22000	0.2
403.19647	0.3
404.20148	0.5
405.16531	2.4
405.21039	0.7
406.17221	1.1
406.22330	0.3
407.22586	5.4
408.23212	0.6
418.17633	0.5
419.18179	3.2
419.22836	0.6
420.19214	1.9
421.20151	2.6
423.21964	0.4
431.18259	1.0
432.19757	0.3
433.19916	4.3
434.21127	3.5
435.16422	0.3
435.21939	6.3
436.22522	0.6
437.23505	0.5
445.20383	0.8
446.21030	0.5
447.22134	2.2
449.19492	3.1
450.20477	0.6
451.25784	1.2
452.25949	0.4
459.21878	0.4
460.22818	0.8
461.23895	1.3
463.21100	2.6
464.22180	1.5
465.23032	2.7
467.24924	0.3
476.22195	0.2
477.22574	1.4
478.23611	4.4
479.25064	3.9
491.24768	1.4
492.25388	0.3
493.22870	0.3
505.26111	0.6
507.24045	0.5
510.26361	0.6
521.25531	9.0
523.23206	1.8
527.37671	0.2
533.26074	0.3
536.24359	0.3
537.25751	0.9
547.27173	1.8
549.24628	0.4
550.25934	0.5
565.28156	21.2
566.28540	0.3
580.27045	0.2
581.27588	2.8
593.27582	0.7
597.30768	0.5
607.29156	1.1
607.43451	0.4
625.30255	100.0
626.30542	1.7
626.40240	0.3
629.66388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05501	0.8
56.30529	0.2
67.05508	2.3
69.07077	0.9
69.31419	0.9
69.31844	1.1
79.05494	1.7
80.00824	0.2
81.03422	0.4
81.07063	1.9
83.08620	0.5
91.05492	1.3
93.07045	1.7
95.04964	0.5
95.08590	1.4
97.06557	0.4
105.07050	1.5
107.04971	0.4
107.08620	1.0
109.06528	0.5
109.10144	0.6
117.07007	0.5
119.08598	1.0
119.33442	0.2
121.10155	0.6
129.07053	0.3
131.08620	0.7
133.10158	0.5
135.08156	0.3
145.10123	0.6
149.13261	0.3
157.10106	0.3
159.11690	0.4
161.13306	0.3
209.80438	0.3
211.12408	0.3
258.98550	0.2
261.22217	0.3
273.18625	0.6
275.20120	0.5
291.19553	0.4
300.81744	0.3
318.68793	0.3
335.26074	0.3
349.23462	0.3
390.18689	0.7
391.19238	1.1
392.20084	0.8
393.20850	0.3
403.19525	0.5
404.20245	0.5
405.20981	1.5
406.21698	0.9
407.22507	0.8
417.16562	0.5
418.17502	1.6
419.18652	1.5
419.22885	0.9
420.23386	3.1
421.24207	0.7
423.21951	0.5
431.18613	0.4
432.19138	1.9
433.19965	4.2
434.20990	1.6
435.21997	0.8
437.23410	1.3
445.20224	0.5
446.21033	0.9
447.21683	3.9
447.26740	0.4
448.23068	1.4
449.19080	2.4
450.20605	0.9
451.25192	3.0
452.25867	0.6
461.23083	0.5
463.20892	4.0
464.21783	2.4
465.22839	4.1
477.22650	2.5
478.23560	7.4
479.24442	8.3
479.31009	0.5
491.25006	1.9
492.25568	0.6
493.26624	0.6
505.26926	1.3
507.24518	0.4
510.26367	0.5
519.24182	0.5
523.22931	2.3
524.27698	0.3
533.25397	0.6
534.26337	1.0
535.26233	0.5
537.25385	1.5
550.25757	0.4
551.27393	0.4
565.28180	25.9
566.28845	0.8
593.27728	0.9
594.28595	0.8
596.26569	0.3
597.30884	0.7
607.43799	0.6
625.30219	100.0
626.30389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05515	6.3
57.03421	2.2
58.63953	1.0
67.05183	1.2
67.05513	14.7
67.96427	0.9
69.07075	6.3
69.25063	3.3
69.25483	5.7
79.05499	13.1
79.44111	0.9
81.03456	1.0
81.07059	13.2
83.04987	1.3
83.08625	3.9
89.20634	1.1
91.05487	17.9
93.07059	13.6
95.04990	2.3
95.08609	9.2
97.02899	1.1
97.10140	1.3
102.84391	0.9
105.07042	16.4
107.04964	1.6
107.08599	6.5
109.06505	2.3
109.10153	3.4
115.05470	1.1
115.37389	1.1
117.07017	10.0
119.08598	12.0
121.06487	2.1
121.10153	4.7
123.08002	1.2
125.09616	1.4
128.06241	1.2
129.06990	6.7
131.08572	15.9
133.10117	6.4
135.11742	1.1
137.09613	1.5
141.07007	2.6
143.08565	7.2
145.10132	9.9
147.08081	1.6
147.11708	2.9
149.09619	1.8
155.08554	3.8
157.10181	4.6
159.11714	4.2
169.10149	2.5
171.11719	3.8
173.13181	2.1
181.10127	1.5
183.11708	2.3
185.09502	1.1
185.13315	2.2
187.14888	1.3
189.12715	1.2
197.13243	2.8
209.13322	1.3
211.14879	1.7
213.12679	1.1
231.04369	1.0
233.15393	1.4
261.18518	1.1
324.16812	1.2
335.23453	1.9
343.26373	2.0
353.24765	6.7
371.25754	9.2
389.26959	9.7
409.26205	1.2
427.28308	1.3
445.29556	100.0
446.29803	1.5
463.30710	23.2
625.32971	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	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03688	0.6
53.03936	2.5
54.53526	0.6
54.77682	0.7
55.01863	1.9
55.05515	7.7
57.03435	2.8
57.07078	1.1
57.94345	0.7
61.02923	1.2
65.03952	1.4
67.05508	20.6
69.03420	1.7
69.07079	8.8
70.78194	1.4
71.05009	3.0
73.02920	0.8
74.24584	0.6
76.37705	0.5
79.05497	17.8
81.03413	2.3
81.07065	25.7
83.04966	1.9
83.08626	5.2
85.02893	1.2
85.06533	1.1
91.05485	23.6
93.07054	19.2
95.04967	2.2
95.08615	14.8
97.02862	1.1
97.06525	4.2
97.10181	2.1
99.08060	0.7
103.05474	1.3
105.04564	1.0
105.07038	23.0
107.04964	2.8
107.08608	9.7
109.06538	2.9
109.10156	4.2
111.08078	1.9
115.05482	1.2
117.07021	11.7
119.08591	15.0
121.06503	2.2
121.10159	7.9
123.08060	1.6
123.11694	1.8
127.03869	1.0
127.11208	1.0
128.06213	1.2
129.07007	9.5
130.07835	0.7
131.08578	22.1
133.06514	1.1
133.10143	8.6
135.08064	2.2
135.11705	4.4
137.09590	0.8
141.06987	3.0
142.07808	1.7
143.08582	8.8
145.06499	1.6
145.10138	13.4
147.08037	2.0
147.11713	5.3
149.09630	1.8
149.13269	1.5
151.11234	0.9
154.07777	0.7
155.08565	5.7
157.10138	8.3
159.08092	1.8
159.11713	8.7
161.09645	1.6
161.13284	2.7
163.11249	0.6
167.08569	1.3
169.10135	6.6
171.08066	0.7
171.11691	6.0
173.09641	1.3
173.13272	2.8
175.11166	1.3
177.12773	1.3
181.10164	2.9
183.11708	3.8
185.09584	1.0
185.13284	3.5
187.11172	1.6
187.14853	1.6
189.12854	0.9
191.14331	0.8
195.11771	2.1
197.13257	3.0
199.11201	1.4
199.14807	1.5
201.12831	2.1
201.14723	0.8
205.12253	0.7
209.13297	2.1
211.14865	1.4
213.12862	1.1
213.16365	1.0
215.14374	0.8
219.13884	1.2
223.14841	0.8
225.16519	0.9
227.14331	0.9
233.15598	0.9
237.16338	0.8
239.17972	0.7
243.17668	0.9
247.17097	0.8
255.17445	0.6
259.17004	1.4
259.20428	0.7
261.18457	0.7
269.17612	0.9
273.18625	1.2
275.20135	1.8
325.25150	3.3
335.23724	2.6
343.26334	4.6
353.24777	11.6
370.26785	1.5
371.25912	11.3
389.26895	11.7
417.30331	0.7
427.28674	1.3
428.31030	2.4
439.47104	0.7
445.29529	100.0
446.29892	1.5
463.30588	31.3
515.38623	0.9
527.36932	0.9
551.40887	0.8
607.34583	2.1
607.44037	1.8
625.26410	1.0
625.36835	0.9
625.44568	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03937	1.8
55.01867	1.8
55.05515	8.6
57.03426	3.1
57.07077	1.1
61.02919	1.5
65.03932	1.9
67.05508	24.6
69.03429	1.3
69.06736	1.0
69.07073	10.7
71.04984	1.7
71.17310	1.6
71.17655	0.9
79.05071	1.3
79.05498	18.4
81.03416	1.3
81.06588	1.5
81.07064	26.1
83.04978	1.8
83.08625	6.5
85.02908	1.5
85.06532	2.1
91.05486	24.8
93.07050	20.8
95.04958	2.9
95.08611	16.3
97.06518	2.4
97.10172	2.0
98.04896	0.8
102.35215	0.7
102.58070	0.9
103.05456	1.3
105.07034	26.8
107.05003	1.6
107.08599	12.5
108.22543	0.7
109.06508	2.7
109.10159	5.9
111.08083	1.0
115.05489	1.3
116.06233	1.1
117.07017	13.6
119.04926	1.3
119.08590	17.7
121.06529	4.2
121.10141	7.6
123.08063	2.3
123.11731	1.2
125.09574	1.1
128.06209	1.4
129.07011	9.3
130.07796	1.0
131.08574	24.3
131.09543	1.7
133.06516	1.4
133.10136	11.0
135.08116	1.8
135.11693	4.0
137.09601	1.5
139.07448	0.7
141.06975	3.5
142.07765	1.5
143.08557	10.7
145.06490	1.7
145.10136	12.2
146.21605	0.8
147.08047	2.7
147.11697	4.0
149.09619	3.2
149.13235	1.1
151.11244	1.0
155.08597	5.2
157.10130	7.4
159.08089	2.0
159.11702	8.1
161.09612	1.6
161.13268	1.3
167.08598	1.6
167.39876	0.7
169.10132	5.2
171.08069	0.9
171.11707	5.4
171.98885	0.8
173.09589	1.3
173.13295	3.0
175.11159	1.4
175.14801	0.8
177.12709	1.0
181.10167	2.5
183.11652	3.9
185.09740	0.9
185.13316	3.3
187.11183	1.7
187.14830	1.8
189.12836	0.8
195.11668	2.3
197.09598	0.9
197.11674	0.7
197.13206	3.7
199.11183	0.8
199.14868	2.0
201.16322	1.1
205.12285	0.7
209.13313	1.9
211.14873	1.8
213.12727	1.3
213.16414	1.0
215.85753	0.7
217.91969	0.7
223.14841	1.7
225.16394	1.8
227.14432	0.9
229.16042	0.8
233.15405	1.0
237.16405	0.8
247.16876	1.2
259.17102	1.2
269.17624	0.9
273.18649	1.0
287.20099	0.9
292.16324	0.9
325.25360	2.7
335.23703	2.3
343.26385	3.9
353.24817	12.0
371.25790	15.1
389.26898	15.9
409.26703	0.9
417.30115	1.2
427.28650	2.3
445.29514	100.0
454.96246	0.8
455.29150	0.9
463.30569	55.1
464.30814	0.8
607.43408	1.6
625.26239	1.0
625.44507	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	625.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01873	1.4
55.05519	12.6
57.03452	5.4
57.07061	1.2
58.60479	1.0
61.02921	2.0
64.19571	0.9
65.03939	1.7
65.87233	0.9
67.05515	32.1
69.03433	4.3
69.07082	11.7
70.05980	4.6
71.04996	4.3
73.02903	0.9
73.06543	1.1
77.03928	1.3
79.05087	1.7
79.05505	22.9
81.03432	6.4
81.07068	32.2
83.04992	4.3
83.08627	7.2
85.02913	4.2
85.06550	3.1
91.03956	1.2
91.05492	31.6
93.07050	28.6
95.04986	5.2
95.08061	1.5
95.08619	19.9
97.02891	2.8
97.06522	3.6
97.10174	2.7
99.08088	1.3
103.05428	1.4
105.07050	26.5
107.04942	3.1
107.08607	14.6
108.70567	0.9
109.02859	1.5
109.06515	3.7
109.10153	6.8
111.04464	1.0
111.08109	1.2
115.05455	1.7
117.07034	15.7
119.08595	18.8
121.06502	2.9
121.10161	11.1
123.04474	0.8
123.08077	2.6
123.11703	1.4
125.09679	0.8
127.03933	1.5
128.06226	1.8
129.07011	11.9
130.17079	1.0
131.08577	24.4
133.06450	2.3
133.10158	13.8
135.08102	1.8
135.11690	4.0
137.09673	1.4
141.06972	4.2
142.07813	1.3
143.08585	11.0
144.09300	0.9
145.06502	2.4
145.10130	16.1
147.08017	3.2
147.11691	5.3
149.09605	3.2
149.13283	3.9
151.11209	1.3
155.08621	4.3
157.10129	5.8
159.07986	2.0
159.11719	7.6
161.09650	1.6
161.13280	1.3
167.08624	2.0
169.10155	5.9
171.02129	0.8
171.11690	6.5
173.04463	1.4
173.09702	1.2
173.13266	2.7
175.11212	1.5
177.12767	1.2
177.24304	1.0
181.10144	2.3
183.11681	4.2
185.09621	1.7
185.13268	4.0
187.11198	1.7
187.14903	2.9
189.12796	1.7
195.11668	2.8
195.13519	0.9
197.13258	3.8
199.11137	1.3
199.14882	1.5
201.12753	1.5
203.14346	1.0
209.13268	2.3
211.14793	2.2
215.14299	1.2
219.17487	1.0
223.14839	1.3
227.14432	1.5
233.15439	2.1
259.16916	1.5
261.18430	1.1
267.16422	0.9
269.17542	3.2
273.18652	1.2
275.20078	1.4
306.85602	0.9
325.25256	2.2
335.23718	2.9
336.86035	1.0
339.18243	1.0
343.26361	3.8
353.24731	11.7
371.25833	15.9
374.83508	1.0
389.26959	18.2
413.21747	1.0
423.27646	1.4
427.28369	4.1
435.31625	1.2
445.29575	100.0
446.29855	1.2
463.30579	69.5
537.19476	1.0
607.35254	2.3
625.34607	3.0
629.18768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01630	2.3
55.01878	26.0
55.05519	29.2
57.03436	7.1
57.07077	4.4
65.03942	3.8
67.05515	57.4
67.91055	1.7
69.03426	2.7
69.07076	70.2
70.09925	6.5
71.05013	2.9
71.08628	3.1
79.05070	3.2
79.05502	47.7
81.03469	8.8
81.07066	63.0
83.04981	7.9
83.08617	11.5
85.06541	3.6
91.05494	58.6
93.07054	42.6
95.01344	6.4
95.04991	13.0
95.08615	44.4
95.09180	3.4
97.06544	37.1
97.10152	5.4
99.08104	5.2
101.34219	1.6
103.05515	2.2
105.04519	2.9
105.07047	59.1
107.04978	16.2
107.08608	26.8
109.06538	6.7
109.10169	15.6
109.88125	1.7
111.08099	4.5
115.05502	1.8
117.07019	24.0
119.08595	52.6
121.06517	5.1
121.10152	18.4
123.08113	4.8
123.11719	4.0
125.09658	5.9
128.06264	3.8
129.07021	20.1
130.07797	3.3
131.08575	44.3
133.10141	38.5
135.08054	3.4
135.11711	11.3
137.09610	2.5
141.06961	9.0
142.07738	3.1
143.08557	23.8
144.09407	2.0
145.10141	31.5
147.08060	3.9
147.11713	29.7
149.09630	9.2
149.13271	6.1
151.11115	2.4
155.08586	13.3
156.09372	2.4
157.10164	19.9
159.11688	27.5
161.09689	3.5
161.13275	18.1
161.41821	2.0
163.11186	6.7
163.14943	2.7
163.73079	1.8
165.12753	2.0
167.08606	6.1
168.09341	2.4
169.10173	13.7
171.10292	3.8
171.11690	21.1
173.13269	14.6
175.11177	2.5
175.14886	9.2
177.12766	3.4
179.14363	5.8
180.09332	2.2
181.10120	7.2
183.11700	17.7
185.09657	2.6
185.13283	14.2
187.11243	4.0
187.14845	8.6
193.10312	2.7
195.11743	6.3
195.13786	1.7
197.13251	9.8
199.14864	7.8
201.16402	3.5
203.14340	2.5
207.11809	3.9
209.13278	7.8
211.14853	8.0
213.16347	5.5
217.19571	1.9
223.14912	5.2
225.16443	3.6
229.15695	2.0
231.21086	3.6
235.14821	3.5
237.16455	4.7
239.17992	5.9
241.19565	18.2
247.20557	2.6
251.18192	2.2
255.43089	1.9
257.19043	8.0
259.20605	21.0
273.18542	4.5
275.17334	3.2
275.20102	43.3
277.21698	4.0
279.21310	2.3
291.19608	4.7
293.21033	3.8
308.44400	1.8
311.23575	2.1
313.21701	3.1
315.23199	4.2
323.23495	2.8
327.22964	1.9
329.24719	2.1
333.24329	28.9
337.25348	1.8
341.24863	2.1
342.92795	1.8
349.23737	38.8
362.38107	1.8
367.26056	2.4
403.50082	1.9
419.33078	4.0
422.23651	2.5
434.20447	2.5
435.32687	8.8
437.34274	16.5
453.35220	3.0
455.35187	2.8
479.23608	3.0
493.37180	2.4
495.34738	2.5
501.35684	4.2
511.37921	14.7
513.35516	8.1
515.38666	6.5
521.24689	3.0
523.23035	2.4
527.37177	8.2
529.38824	7.8
533.39856	14.3
537.27887	2.9
551.40948	8.0
555.36511	4.5
556.38123	3.5
565.27521	17.3
589.43121	2.9
597.44836	6.1
607.43646	78.8
608.43140	2.6
625.29218	64.6
625.44415	100.0
626.29755	3.1
626.45081	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	627.1342
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.03932	0.3
63.02362	0.4
69.03432	0.4
69.31885	1.1
69.32301	0.6
70.57193	0.2
79.05483	0.7
81.03419	0.4
85.02892	0.3
89.03915	5.0
93.03387	0.3
95.04957	0.4
97.02877	0.3
107.04961	1.8
109.02872	0.3
111.00804	0.5
117.03383	8.1
121.02872	0.5
127.03928	0.3
135.04416	15.0
137.02353	1.4
142.99806	0.2
145.02853	11.8
149.02367	0.3
153.01840	1.6
161.05942	0.2
163.03902	100.0
164.04256	0.5
165.01825	1.1
173.05852	0.2
181.04982	0.3
183.02863	0.4
183.04337	0.2
191.03444	0.2
201.05513	0.7
229.04973	2.2
237.30557	0.2
247.05951	0.4
257.04297	1.0
265.06961	0.3
274.04709	0.6
285.03967	0.7
303.04990	50.0
304.05148	0.3
307.08078	0.7
325.09180	6.9
345.05997	0.5
351.24570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03944	0.3
55.01871	0.4
55.05476	0.3
57.03437	1.5
60.09782	0.2
60.38782	0.3
61.02915	0.9
68.99782	0.6
69.03421	1.1
70.06585	0.8
71.04996	10.0
71.52380	0.3
73.02892	0.4
75.04449	0.4
81.03409	0.8
83.04971	0.6
84.04518	0.3
85.02909	15.2
87.04455	0.4
89.95657	0.2
90.16379	0.2
91.03949	0.4
91.05471	0.3
93.03416	0.2
97.02907	1.1
99.04421	0.3
105.07120	0.2
107.08505	0.2
109.02885	0.6
111.00845	0.2
111.04382	0.5
112.72037	0.2
120.08027	0.2
121.02847	0.6
123.04430	0.4
125.02365	0.6
127.03907	0.9
129.05498	3.3
137.02333	2.1
145.04933	1.0
147.04387	0.4
147.06509	0.9
149.02327	0.3
153.01825	2.7
161.05974	0.5
163.03888	0.3
165.01860	1.2
169.01343	3.2
171.02928	0.3
171.04385	0.3
175.03952	0.3
177.05537	0.3
179.03351	0.7
179.45201	0.2
181.01326	1.1
189.05408	0.3
193.04974	0.8
195.02933	1.0
199.03906	0.6
203.03400	0.5
205.04808	0.2
207.02893	0.8
217.05037	0.7
221.04451	0.4
227.03360	0.3
229.05045	0.3
232.03825	0.4
243.08763	1.1
244.03889	0.2
244.09669	0.4
245.04483	2.6
249.03918	0.3
255.02827	0.3
263.05557	0.5
267.11145	0.3
273.03976	3.5
283.02536	0.3
290.04108	0.5
301.03375	1.3
303.05011	1.0
303.13544	0.2
319.04489	100.0
320.04861	0.4
378.15305	0.6
379.16071	0.3
408.72241	0.2
465.10190	0.4
465.16135	0.3
481.09915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
50.86209	0.2
51.66512	0.2
53.03952	0.3
55.01871	0.5
55.05502	0.3
57.03441	2.0
61.02932	1.7
68.99799	0.5
69.03442	1.1
70.06588	0.8
71.04995	10.9
71.52814	0.3
72.08133	0.4
73.02902	0.9
75.04478	0.4
81.03403	0.6
83.04960	0.6
84.04489	0.3
84.08145	0.2
85.02908	16.1
85.34097	0.2
86.09698	0.3
87.04475	0.4
91.03960	1.2
91.05456	0.2
93.03374	0.3
95.04932	0.3
97.02883	2.2
99.04413	0.3
100.87385	0.2
109.02889	1.1
111.00798	2.0
111.04434	0.5
121.02907	0.2
126.03147	0.3
127.03940	1.5
129.05496	3.8
130.05022	0.2
137.02333	2.0
139.03867	0.4
145.04971	0.7
147.04416	0.3
147.06546	1.3
149.05968	0.2
153.01831	8.0
161.05977	0.4
163.03928	0.8
165.01843	2.9
166.02608	0.4
167.03543	0.2
171.04497	0.3
179.03406	1.0
181.08557	0.5
183.02876	0.9
189.05453	0.5
191.03412	0.2
193.05003	0.3
195.02831	0.4
199.03860	0.3
201.05339	0.3
203.03400	0.6
207.02820	0.6
217.04964	2.6
229.04958	0.8
235.02374	0.2
244.03831	0.3
245.04443	3.9
245.11369	0.3
247.06058	0.3
255.02916	0.7
257.04434	0.3
263.05420	0.4
273.03958	4.0
285.03992	0.3
290.04263	1.0
301.03476	0.7
303.05005	10.7
319.04492	100.0
320.04852	1.0
342.16650	0.5
361.05429	0.3
407.69098	0.3
424.65546	0.2
465.10138	0.3
481.09668	0.9
581.68152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2826
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05510	0.6
65.31630	0.4
67.05495	1.9
71.05004	0.4
76.03373	0.4
79.05509	1.1
81.07073	1.4
82.75336	0.4
83.04960	0.5
85.02909	0.4
91.05506	0.7
93.07059	0.9
95.04974	0.4
95.08606	0.4
97.06586	0.6
105.07053	0.9
107.08581	0.6
109.10203	0.4
119.08603	0.6
126.14647	0.4
127.03919	0.5
131.08554	0.8
133.10210	0.6
145.10127	0.4
159.11684	0.6
184.07390	0.7
204.06592	0.3
204.35814	0.4
377.17511	0.6
379.19281	0.5
391.19315	0.9
393.20828	1.7
405.16626	2.2
405.21707	0.5
406.17740	0.9
407.17944	1.0
407.23059	2.1
408.23273	0.5
419.18692	2.6
420.19449	1.6
421.20282	4.1
423.21863	1.3
433.20334	3.9
434.21243	3.6
435.22021	5.3
436.22595	0.8
445.29672	0.5
446.29919	0.8
447.17081	0.5
447.22461	0.9
447.29941	0.6
448.23325	0.6
449.19601	6.7
449.24728	0.4
462.20724	0.7
463.20914	2.7
464.22134	1.4
465.18652	0.5
476.22449	0.6
477.22852	0.5
479.20508	1.8
480.21210	0.5
481.22400	2.5
493.22495	1.5
494.23380	2.0
495.24045	2.5
507.24155	9.1
509.25781	0.9
525.25378	0.6
537.24701	0.5
539.22455	2.1
549.25092	1.6
565.59332	0.4
566.25000	0.6
567.26123	20.4
568.26587	0.4
571.92395	0.4
609.26648	0.6
627.28137	100.0
628.29010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2829
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.06816	0.4
55.01878	0.5
55.05516	0.5
57.03442	0.5
65.82545	0.4
67.05495	1.8
69.65229	2.1
73.86350	0.4
76.49686	0.4
79.05492	1.1
81.07055	1.9
89.63214	0.5
91.05481	1.3
93.07049	0.8
93.69889	0.5
95.08588	0.7
105.07037	0.8
106.07417	0.5
107.08627	0.6
108.08090	0.8
117.07047	0.7
119.08578	0.8
129.06845	0.6
130.06560	0.6
131.07343	0.9
131.08594	0.6
133.10094	0.7
136.07584	1.3
143.08601	0.5
146.09633	0.5
152.98369	0.4
172.07533	0.7
172.09993	0.7
174.09175	3.4
185.07123	0.6
187.08707	1.0
187.12334	3.4
188.09302	0.6
188.10732	1.4
190.04919	0.6
197.10831	0.6
198.09297	0.7
199.08652	1.0
210.09303	0.5
211.08720	1.1
211.12360	0.4
213.10309	0.7
215.11818	2.3
221.10765	0.6
221.15729	0.5
223.08665	0.5
224.09380	1.1
225.10176	3.0
226.10927	1.1
227.11702	2.4
235.08614	1.0
238.07361	0.5
239.11850	1.9
240.12764	0.6
241.13411	2.2
243.11310	18.5
249.10211	1.8
251.11824	1.3
252.08961	0.9
253.09793	1.3
261.10440	0.5
267.11325	5.8
269.12988	2.3
275.11786	0.5
277.09735	2.0
279.11270	0.6
281.12872	0.4
285.12308	2.0
291.11298	1.6
293.12750	0.6
295.07770	0.5
295.10672	2.7
299.14215	1.1
300.11349	1.0
301.15582	2.7
309.12372	1.7
312.11642	0.5
314.12933	1.1
315.10294	0.6
315.13925	1.0
316.10803	1.2
316.14432	0.8
318.12119	0.6
319.10791	0.8
320.14023	0.7
325.15561	6.1
326.13202	0.6
327.13461	5.0
328.10825	1.9
328.14584	1.6
329.11588	1.0
330.12375	1.9
330.16058	0.9
331.13437	0.9
332.14075	0.8
334.15387	1.3
340.10809	0.7
341.11636	0.9
342.12381	2.3
342.16071	0.8
343.13159	2.7
344.13916	2.8
345.14578	0.7
346.15463	2.0
348.13290	2.2
351.13391	0.9
354.12296	0.7
355.13220	0.9
356.13983	2.9
357.14877	1.8
358.15594	3.5
359.16425	0.5
360.17102	0.6
362.15207	0.8
366.18372	0.6
369.14993	0.5
370.15659	1.8
371.16296	0.6
372.17188	3.9
373.26727	0.6
375.12344	0.5
384.12894	0.6
384.17291	1.0
385.18344	0.5
386.14664	1.2
386.19150	2.1
390.14355	0.6
398.15240	1.0
400.16733	2.1
403.15878	1.1
406.18011	0.5
407.14575	0.5
412.16577	0.7
414.17993	0.6
416.16422	0.5
417.17242	0.7
418.17651	0.8
419.18610	1.3
420.16434	1.0
421.16776	1.0
422.17065	1.0
423.17865	0.8
430.17709	0.6
431.18707	1.1
432.19714	2.8
433.20682	1.2
435.14273	1.5
436.19870	0.9
437.19888	1.4
444.19254	1.1
445.20081	0.9
445.29633	1.1
446.21008	0.7
446.29965	2.0
447.21817	1.7
447.30252	3.3
448.15686	0.7
449.14932	0.7
449.19983	1.7
450.17178	1.6
451.17514	1.6
460.19250	0.9
461.23416	1.7
462.24048	2.0
463.21790	3.0
464.18546	0.9
465.18906	10.2
465.31161	1.0
466.19754	0.9
467.21078	0.6
475.20767	0.8
477.19507	1.0
478.19937	0.9
479.20560	5.2
480.21674	3.3
481.22458	2.6
489.22772	1.5
490.21298	1.1
492.21622	2.4
493.23322	2.8
494.23233	1.3
504.21341	2.4
505.21692	0.4
506.23160	0.7
507.24020	4.4
508.21341	1.2
517.22382	1.3
520.21234	1.6
521.25238	0.8
524.22437	0.5
527.26831	0.6
534.22980	0.8
535.23505	5.1
537.21576	0.5
549.24963	9.1
552.23840	1.2
553.24658	1.9
563.22906	1.1
567.26044	45.9
568.26239	0.7
577.24707	0.8
595.25543	34.2
596.25732	0.8
627.28094	100.0
628.28558	1.8
653.59644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2818
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
56.91938	0.6
60.23315	0.7
67.05367	1.4
69.85379	1.2
69.85788	2.8
79.05321	0.7
81.06929	1.4
91.05349	1.4
95.04848	0.9
95.08461	1.1
107.08429	0.8
108.07917	1.1
109.10001	1.0
121.21467	0.7
129.06830	0.7
131.07159	0.7
131.08401	0.9
136.07394	1.2
143.72906	0.7
145.09837	0.7
174.08896	3.1
187.08466	1.4
187.12277	4.3
188.10580	1.8
197.06850	1.2
197.10648	0.8
201.98747	0.8
211.08446	1.8
212.09126	1.2
215.11549	2.7
224.09111	0.9
225.06467	0.7
225.10249	3.4
227.11897	3.4
228.01175	0.8
229.09554	0.9
235.08368	1.4
236.09047	0.8
237.10078	1.3
239.11530	2.0
241.13141	2.5
243.11320	27.0
248.09261	0.9
249.10091	1.5
251.11586	1.9
252.08864	1.0
253.09505	1.5
262.91397	0.9
267.08878	0.7
267.11273	7.4
269.12558	2.4
277.09393	1.7
285.12091	2.7
291.11041	1.3
295.10562	2.6
299.11014	0.8
301.15292	2.0
302.12561	0.7
309.12213	1.1
314.12735	1.3
316.10797	1.5
316.14175	1.4
317.11496	1.7
319.10507	2.0
325.15521	11.1
327.13565	3.4
328.10535	2.6
328.14120	1.2
329.11572	1.7
330.12112	5.0
330.16010	1.7
331.13196	1.6
334.15311	1.9
335.12683	1.1
340.14429	0.8
341.11447	1.4
342.12155	4.1
342.15930	1.4
343.13000	3.3
344.13992	4.7
345.14658	1.6
346.15250	3.0
348.13434	6.0
351.13293	1.2
354.11835	1.3
356.13788	4.7
357.14621	1.4
358.15622	4.4
359.16144	1.0
360.17035	1.2
362.14874	1.5
370.15439	3.3
371.16031	1.1
372.17212	4.4
374.14780	1.7
378.15768	0.8
384.16763	1.1
385.17889	0.9
386.14789	2.8
386.18616	2.3
387.15845	0.8
398.15030	1.3
400.16336	2.5
403.15628	1.3
405.16571	1.2
406.14575	0.9
407.15112	1.3
416.16141	1.2
417.16843	1.1
420.16473	1.6
421.16934	1.1
422.17593	1.7
428.16489	1.5
430.17813	1.0
431.18402	1.2
432.19604	4.0
434.19608	1.1
435.13928	1.7
435.18991	1.3
436.19785	1.5
437.19717	2.8
445.20026	1.2
447.22531	4.0
448.20392	1.0
449.16147	2.7
450.16446	1.9
451.11807	0.9
451.16940	1.7
451.22064	1.5
460.18646	1.2
461.23505	2.3
462.23798	3.0
463.20996	3.5
464.17947	0.9
465.18774	15.9
474.20370	1.3
477.19150	1.8
478.19891	2.3
479.20816	7.5
480.21536	5.9
481.22653	4.8
489.22971	1.6
490.20709	1.5
491.20413	1.4
492.21509	3.7
493.22049	3.4
494.23325	1.1
504.21124	2.0
507.24008	6.9
508.21167	2.7
517.22205	2.7
521.25494	1.9
535.23395	8.3
539.26617	1.1
541.23846	1.0
549.25055	15.0
552.23712	1.4
553.24487	1.6
563.22919	1.0
567.26086	88.5
568.26495	1.5
577.23987	1.7
595.25537	100.0
596.25690	1.9
599.28821	1.2
627.28174	71.1
628.28156	1.0
639.42859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57724	2.5
51.82117	2.4
53.03949	7.5
55.01886	22.5
55.05519	26.1
57.03432	9.4
57.07084	3.5
65.03948	5.7
67.05511	70.1
67.97369	2.7
69.07075	36.8
71.53096	2.5
79.05068	4.9
79.05502	57.6
81.03424	6.9
81.07067	100.0
83.04990	7.5
83.08620	6.8
85.06522	3.4
86.35500	2.5
91.05493	64.2
93.07058	53.3
95.01353	5.9
95.04964	11.8
95.08059	4.7
95.08619	55.5
97.02851	2.5
97.06528	26.3
97.10208	4.3
99.08105	3.6
100.59866	2.2
105.04562	2.5
105.07047	69.3
106.28886	2.3
107.04966	15.3
107.08607	29.7
109.06560	14.7
109.10178	18.9
111.08086	3.9
117.07022	12.6
119.08592	33.1
121.06490	3.9
121.10173	18.7
123.08116	6.9
123.11710	5.1
125.09605	4.8
129.07066	3.9
131.08557	26.2
133.10172	36.5
135.08086	4.9
135.11684	12.3
137.09631	3.0
141.06940	2.3
143.08575	5.7
145.10176	20.0
147.11710	19.1
149.09633	5.6
149.13226	5.7
155.08565	4.4
157.10190	3.7
159.11702	12.8
160.24626	2.4
161.13292	6.7
163.11270	4.1
169.10175	3.2
171.11670	3.5
173.13306	7.6
177.12741	4.6
179.14368	12.5
185.13271	3.7
197.13200	2.6
201.16490	3.5
218.89540	2.4
219.17461	14.2
229.19675	2.7
229.29726	2.5
239.18040	2.8
247.20714	4.6
257.19009	7.7
275.20093	85.3
277.21567	3.1
291.19656	6.0
293.21219	4.7
321.93335	2.3
335.25827	95.5
349.23795	24.7
424.31723	2.7
529.38904	3.0
609.45197	93.7
610.45557	3.2
627.47028	14.9
627.66132	4.0
649.82129	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.5
55.05520	47.4
57.03432	10.6
57.07070	7.4
62.40986	4.5
65.03940	8.6
67.05511	100.0
69.07069	36.2
71.52722	5.9
74.99304	4.9
76.57760	4.9
79.05495	85.4
81.07068	91.1
83.05001	5.5
83.08632	17.2
91.05487	85.7
93.07062	67.3
95.04982	11.5
95.08620	73.8
97.06522	6.0
97.10191	7.9
102.28176	4.9
105.07046	97.1
107.08581	36.4
109.06580	6.4
109.10162	36.2
117.07038	34.3
119.08582	56.3
121.06570	6.4
121.10169	26.7
123.08057	10.9
123.11725	5.8
125.09689	6.9
125.58918	4.8
128.06256	11.2
129.07031	13.5
130.07835	10.6
131.08591	58.5
133.06509	5.5
133.10136	55.7
135.11708	16.3
137.09605	8.7
141.06985	5.0
141.24059	4.7
143.08521	32.7
145.10147	58.0
147.11722	26.2
149.09602	8.4
149.13289	10.5
157.10172	10.3
159.11694	19.4
161.09674	5.1
161.13310	11.5
169.10019	10.2
171.11748	10.3
173.13295	10.3
183.11752	7.4
185.13351	8.0
189.05649	4.4
195.11684	4.5
197.13249	7.4
219.60986	4.4
225.04366	5.8
237.16302	7.4
255.17398	9.2
257.19049	5.9
273.18524	27.2
275.20108	91.1
275.22812	3.4
335.25824	64.6
337.27466	46.9
347.22281	19.6
349.23602	18.4
355.07172	7.9
356.27975	5.2
395.21643	5.0
609.36005	7.5
609.45081	73.5
627.46454	22.5
627.66675	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
53.61758	1.8
55.01871	12.6
55.05268	2.3
55.05515	29.9
57.03434	8.2
57.07070	3.0
65.03935	5.5
67.05509	81.8
69.03445	3.0
69.07076	31.3
70.57494	3.8
70.57846	3.7
71.04997	4.3
79.05498	64.8
81.03423	6.4
81.07060	100.0
83.04984	7.8
83.08626	18.0
85.06557	3.3
91.05483	57.8
93.07050	69.9
95.04966	10.1
95.08609	56.5
97.06532	17.4
97.10173	8.6
99.08098	3.6
105.06380	1.9
105.07036	49.0
107.04950	8.7
107.08607	44.4
109.06504	14.9
109.10168	28.5
109.10852	3.3
111.08086	7.1
117.07011	18.1
119.08595	42.2
121.06503	3.3
121.10149	32.0
121.10951	3.4
123.08089	6.0
123.11731	10.9
125.09662	2.8
129.07010	7.0
131.08559	22.0
133.10147	30.1
135.08060	4.4
135.11703	15.6
137.09627	4.2
137.13242	2.0
139.11136	2.3
143.08571	7.5
145.10129	24.2
147.08125	3.2
147.11708	24.3
149.09592	16.5
149.13277	11.4
149.59949	1.7
151.11157	3.5
155.08553	4.1
157.10129	10.1
159.08060	2.4
159.11723	16.4
161.09607	2.0
161.13254	8.8
163.11215	11.1
163.14851	3.4
165.12798	6.0
169.10175	6.2
169.12062	1.7
171.11703	6.5
173.09753	1.9
173.13295	7.9
174.68236	2.1
175.11122	2.3
175.14838	2.1
177.12773	3.1
179.10860	1.8
181.10135	2.4
183.11725	5.3
185.13307	4.9
187.14877	5.3
189.11174	2.9
189.16400	4.0
191.14232	2.6
193.12166	2.4
197.13278	4.5
199.14899	3.3
201.16495	3.1
209.84508	1.8
211.14902	2.6
213.16380	2.3
215.18015	2.7
227.12804	2.8
229.19489	2.7
239.18027	3.7
243.21315	2.6
247.20592	2.2
257.19034	9.5
261.22168	5.4
267.15985	2.9
275.20068	57.0
277.21707	3.6
293.21124	10.4
331.22543	3.0
333.24234	3.4
335.25778	31.8
349.23770	25.5
367.24985	2.2
464.93094	2.1
487.34241	2.0
515.37360	4.1
517.40021	2.6
525.49298	2.4
529.39075	7.7
535.41766	4.2
543.24689	1.8
553.42346	4.2
609.45123	47.7
627.46228	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	628.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01861	0.9
55.05511	2.4
57.03191	0.4
57.03440	4.7
57.91026	0.3
61.02934	4.9
65.03953	0.3
67.05507	14.9
69.03425	1.0
69.06733	0.4
69.07073	5.4
69.26301	0.3
70.06577	0.3
71.01366	0.7
71.04984	1.5
71.26092	0.3
71.26414	0.4
73.02928	2.0
76.02180	0.6
78.56425	0.3
79.05495	8.5
81.03423	0.9
81.07059	20.8
83.04992	2.1
83.08628	4.3
84.04495	0.7
84.08176	0.3
85.02905	6.6
85.06542	1.2
86.09699	1.9
87.04428	0.4
89.03910	1.3
90.04223	0.8
91.03960	4.2
91.05482	4.0
93.07049	15.9
95.04961	1.5
95.08603	5.1
97.02912	3.2
97.06522	2.7
97.10161	0.6
99.04500	0.4
99.08088	1.2
105.07042	1.7
107.08607	8.0
109.02882	0.7
109.06497	0.9
109.10144	1.1
111.08099	2.6
115.03940	0.7
117.03362	1.2
117.07029	2.5
119.08569	0.8
120.08107	1.9
121.06491	0.6
121.10149	5.1
123.11716	0.8
125.09653	0.4
125.55056	0.3
127.03932	2.0
129.06906	0.4
131.08568	2.6
132.91481	0.3
133.10153	2.8
135.04445	1.9
135.08047	0.5
135.11703	2.9
136.04756	1.6
139.11223	0.7
145.02850	1.4
145.04939	1.8
146.03180	0.6
147.03442	0.4
147.04446	0.6
147.11685	0.7
149.13266	14.2
151.11096	0.4
159.11693	6.4
162.73538	0.3
163.03918	9.3
163.05972	2.7
164.04231	6.3
165.04414	3.0
166.04749	0.7
176.04329	0.4
177.05438	0.5
177.12756	5.7
179.14313	1.0
181.04999	0.4
185.04439	0.3
191.03413	0.5
195.13821	5.3
209.04353	0.5
210.04617	0.3
213.14816	0.7
229.04999	0.4
246.05321	1.1
247.05629	1.1
248.05888	1.0
251.16377	1.0
259.06015	0.4
269.17487	100.0
270.17810	0.7
286.04376	0.5
287.05444	4.8
288.05856	7.1
289.06088	4.9
290.06348	3.2
304.05249	0.4
316.06033	0.3
340.07553	0.7
341.07388	0.5
342.07791	0.5
406.55347	0.3
413.21790	1.0
431.22855	3.3
481.07913	0.4
542.01508	0.4
628.23352	0.5
649.93445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
55.01881	5.5
55.05515	18.4
57.03445	4.3
57.07073	3.7
67.05177	3.7
67.05512	43.1
69.03440	20.3
69.07074	16.4
69.18713	19.8
69.19132	5.9
71.05000	11.9
79.05497	29.8
81.03439	15.8
81.07069	44.2
83.04979	8.2
83.08627	11.2
85.02919	15.1
85.06544	9.5
91.05487	28.8
93.07053	38.1
95.04982	19.6
95.08621	32.9
97.02892	18.3
97.06530	8.3
97.10194	5.5
99.04495	5.2
99.08082	4.6
105.06409	3.8
105.07050	41.8
107.08615	37.0
109.02884	9.5
109.06533	100.0
109.07279	6.0
109.10175	27.6
111.04445	6.3
111.08097	5.2
111.11707	3.4
116.06255	3.4
117.07034	14.7
119.08607	41.4
121.06520	4.6
121.10154	30.0
123.08087	38.0
123.11723	8.3
125.09589	4.1
127.03922	7.6
128.06279	4.8
129.07021	11.2
131.08597	33.2
133.10156	38.7
135.08076	16.9
135.11702	19.8
137.09645	7.4
143.08563	19.9
144.09364	6.4
145.04994	4.0
145.10123	29.8
147.08092	14.9
147.11729	19.8
149.09630	15.4
149.13283	13.7
151.07576	8.7
151.11180	10.6
155.08563	6.7
156.09377	10.2
157.10167	12.9
159.08138	4.3
159.11723	26.8
161.09628	5.2
161.13335	6.8
163.11220	8.0
167.08499	3.2
169.10188	8.3
170.10878	2.8
171.11681	20.7
173.09613	3.5
173.13286	21.4
175.11215	5.2
175.14822	4.2
177.12823	18.4
181.10103	4.3
183.11728	8.7
185.13255	8.3
187.14871	8.3
189.12773	36.7
191.14342	26.9
193.10172	2.9
195.11684	7.5
195.13754	2.8
197.13280	10.1
199.11147	3.5
199.14842	6.8
201.12610	3.3
203.14281	3.9
205.15770	3.1
207.13875	10.8
209.13310	7.0
209.15308	5.2
211.14848	5.8
213.12802	3.0
213.16444	3.9
215.14265	6.5
223.14838	6.7
225.16357	4.3
227.14395	2.9
233.18999	4.8
235.17061	4.1
257.19055	3.3
259.20657	6.4
273.22003	5.3
277.21658	5.2
283.20480	2.7
299.19885	3.1
301.21637	4.1
385.23990	5.0
421.25778	8.0
449.34146	8.7
467.35294	8.8
547.15271	3.0
593.38391	11.7
611.39148	23.4
629.39917	21.0
636.09570	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	629.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01879	6.6
55.05516	29.1
57.03429	14.2
57.07072	10.7
63.06483	3.5
65.03934	7.2
67.05508	97.0
68.05801	3.7
69.07072	28.5
69.14451	8.0
69.14855	32.7
71.04975	4.3
71.08636	47.1
79.05495	81.3
81.03440	4.1
81.07065	99.3
82.07410	4.1
83.04978	10.8
83.08613	14.0
85.06503	4.8
89.06043	4.1
91.05486	51.7
92.05807	5.7
93.07049	87.5
95.04965	11.5
95.08617	70.6
97.06535	12.9
97.10172	7.5
99.08113	25.3
105.07041	39.3
106.07394	5.5
107.04947	8.0
107.08604	41.5
109.06522	7.0
109.10168	25.2
111.08083	5.7
117.07029	16.4
119.08587	27.7
121.10156	38.1
123.08025	6.4
123.11748	5.1
129.06950	5.4
131.08568	24.0
133.10120	23.8
135.07990	5.6
135.11693	28.6
137.09624	6.6
137.13197	3.7
143.08591	5.2
145.10127	12.3
147.11690	15.5
149.09618	8.0
149.13319	17.7
151.11191	13.2
157.10136	10.3
159.11703	10.9
161.13246	15.1
171.11694	7.3
173.13362	6.0
175.14720	4.7
177.12695	8.1
179.14307	54.6
185.13287	4.7
187.14818	5.0
243.21136	9.6
261.22141	13.4
275.20154	5.6
276.20596	7.0
277.21695	49.7
295.22845	5.4
317.24786	6.3
335.25797	59.3
336.26126	6.4
337.26617	7.3
351.25217	38.1
389.03516	3.7
434.83228	3.9
474.66785	3.6
477.16238	4.7
513.39795	5.1
515.37610	6.4
531.40533	43.9
611.46564	100.0
629.47607	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	630.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.07079	5.8
58.06594	1.5
65.03955	0.7
66.92072	0.4
67.05501	0.9
67.78606	0.4
70.06599	15.7
70.78462	0.5
71.08613	0.9
79.05482	0.5
81.03426	0.5
81.07059	1.1
84.08158	0.5
85.10191	0.9
87.93534	0.4
88.07637	19.6
93.07045	0.8
95.08614	0.5
102.09187	12.5
105.03414	0.5
121.10153	0.5
133.10046	0.6
147.04416	0.7
149.02351	31.1
149.03317	1.4
153.07034	0.5
159.11644	0.5
168.12433	0.4
175.03944	0.9
177.05542	1.0
184.20683	0.7
193.04974	37.0
219.06572	1.2
225.05270	0.7
228.23242	41.3
237.07570	10.1
269.04520	1.3
272.25766	0.9
280.72449	0.5
297.04031	1.9
307.24661	0.5
313.07028	2.4
341.06592	9.0
341.10355	0.8
343.08237	0.6
359.07587	6.5
359.11670	0.6
385.09213	16.1
406.42712	0.4
429.11847	25.1
479.30020	0.5
612.31671	1.3
630.32751	100.0
631.33118	1.1
648.27911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.01867	4.5
55.05519	22.1
57.03437	7.8
57.07067	3.8
57.39710	1.9
59.04995	3.6
64.87583	2.6
65.03952	4.8
67.05516	78.9
69.07078	16.1
71.04999	39.6
71.08658	10.0
71.52680	2.0
71.53094	2.2
79.05068	4.2
79.05503	44.9
79.05964	2.5
81.03445	3.9
81.07070	100.0
83.04995	10.4
83.08639	16.3
85.06552	7.5
89.06056	2.7
91.04981	3.0
91.05497	42.7
93.07055	43.6
94.93636	2.0
95.04995	8.2
95.08609	29.5
97.06551	13.1
97.10165	4.4
98.32906	1.9
99.08104	7.2
105.07048	23.8
107.05021	2.4
107.08607	31.2
109.06542	5.7
109.10189	14.7
111.08095	4.6
117.07039	9.3
119.08588	12.0
121.06500	2.8
121.10165	13.6
123.08041	2.1
123.11742	13.8
125.09647	4.1
131.08585	13.0
133.06516	2.3
133.10156	25.0
135.08084	2.4
135.11702	8.3
139.11224	4.0
145.10167	6.3
147.11716	5.9
149.13295	12.8
151.11185	19.3
154.37985	2.0
159.11737	11.2
159.77769	2.7
161.13255	3.3
163.11209	4.8
171.11717	2.8
177.12799	7.1
179.14339	3.2
183.13811	6.1
195.13870	10.4
202.99004	2.1
213.14789	3.6
227.12810	5.4
241.19630	3.2
243.15973	4.2
251.16556	3.3
260.17944	2.4
269.17447	9.4
277.21704	12.2
283.18829	2.4
301.20059	19.4
351.25375	15.4
419.27905	4.5
437.29062	16.7
451.30643	20.4
463.30722	14.3
495.33194	88.3
501.35739	3.4
519.36993	35.0
533.38123	2.6
545.38300	9.5
577.40692	5.9
600.78955	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.23726	0.3
55.01868	1.1
55.05500	1.0
57.03434	1.3
61.02927	2.2
67.01857	0.5
67.05494	1.4
69.03436	5.1
69.07076	1.1
70.24621	0.7
71.04976	0.9
73.02909	0.7
79.05490	2.0
81.03430	3.0
81.07063	6.0
83.01360	1.1
83.08617	0.5
85.02910	12.2
87.04483	0.9
91.03942	0.6
91.05476	0.5
93.07054	1.2
95.04940	0.7
95.08617	1.3
97.02896	5.0
97.06529	0.5
97.10199	0.4
99.04436	0.5
105.07035	0.5
107.08611	0.6
109.02866	1.6
109.10164	0.5
121.06500	0.4
121.10152	0.5
123.04436	14.1
123.05344	0.8
123.11678	0.9
127.03916	2.5
131.04916	0.5
133.02905	0.5
135.04349	0.4
135.07982	0.5
139.03908	11.7
139.11296	0.4
145.04947	2.3
146.06056	0.5
147.04369	0.7
149.05998	0.8
149.13246	0.6
151.03906	3.9
155.03377	1.0
163.03935	3.4
167.03319	0.7
169.04973	6.0
177.05443	1.7
179.03403	9.0
179.04938	0.6
181.04956	9.0
183.02916	0.8
185.04477	0.8
187.02351	0.5
187.03912	1.3
187.07556	0.9
188.07077	0.6
193.04910	0.4
195.06526	0.8
197.04466	45.1
201.09135	0.7
205.04974	2.8
205.08612	1.1
209.04500	1.3
209.08066	1.2
211.05991	1.1
219.10034	0.4
221.04559	0.5
223.06020	5.9
223.09537	1.8
227.12782	0.5
229.08664	0.8
238.47653	0.4
247.09689	2.9
265.10718	100.0
266.10965	0.6
273.07452	2.5
305.24820	0.9
427.15988	3.8
469.26181	0.5
599.24957	0.8
613.25989	0.4
631.26367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.9
55.05521	2.4
57.03456	0.7
57.07101	0.8
65.03983	0.8
67.05513	5.3
69.03439	5.2
69.07071	2.5
79.05497	6.8
81.03439	1.1
81.07068	9.7
83.04987	2.2
83.08644	0.6
85.02957	0.6
91.05496	6.5
93.06482	0.8
93.07053	5.7
95.04996	1.1
95.08613	3.8
97.02941	0.8
97.06569	1.1
105.07048	8.1
107.04972	2.7
107.08612	18.7
107.95512	0.4
109.02901	0.6
109.06526	3.5
109.10159	6.8
113.80230	0.5
115.05480	1.6
117.07036	2.7
118.07795	0.5
119.08606	4.1
121.06525	1.7
121.10155	11.2
122.07293	5.2
123.08075	1.1
123.11720	0.5
127.03965	0.9
131.08607	3.9
133.10147	100.0
134.10428	0.7
135.08070	10.0
135.11719	2.4
137.09631	64.1
138.09955	0.6
143.08607	1.3
145.10129	2.4
147.11697	2.7
149.09653	1.6
149.13275	9.9
151.11203	1.0
157.10176	0.7
158.10916	1.2
159.11708	0.6
163.11198	1.3
163.14824	2.2
171.11591	0.7
171.98080	0.5
173.11978	0.6
173.13301	6.8
181.12230	0.6
187.14755	0.7
191.14328	49.3
192.14676	0.8
198.38275	0.5
209.15396	3.7
261.21973	0.7
307.46487	0.4
323.23505	0.6
344.97348	0.5
451.35159	0.7
460.69034	0.5
584.49719	0.5
631.37311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38713	0.3
55.01877	0.9
57.22733	0.3
61.14731	0.3
65.03944	1.0
67.05492	1.5
68.99775	1.6
69.03424	0.6
70.06597	0.4
71.52373	0.4
72.08157	0.6
72.33480	0.3
80.75079	0.3
81.03410	0.5
83.04979	0.9
85.02906	1.3
86.09722	0.3
91.05476	1.0
93.03402	0.9
95.04974	2.5
97.02866	0.5
97.24809	0.3
107.04938	0.4
111.00825	0.3
111.04433	2.1
115.05447	0.7
119.04954	3.6
121.02881	0.5
123.04431	50.3
124.22812	0.3
127.03916	1.3
133.06499	0.5
135.04410	0.9
137.02330	0.5
137.06000	1.0
139.03906	100.0
140.04222	0.6
143.04922	1.2
147.04413	18.0
149.05968	0.3
151.03911	2.6
153.01823	1.2
153.05447	1.0
159.04364	0.3
161.05984	6.4
161.59332	0.3
163.03905	2.5
165.05484	13.1
167.07076	0.7
169.04941	1.4
177.05434	0.6
179.07031	2.5
181.05038	1.4
185.04471	1.4
185.05942	0.3
189.05458	1.4
205.08437	0.3
207.06528	6.4
249.07596	0.9
273.07486	2.3
281.03806	0.3
287.05499	3.1
291.08633	51.2
292.09064	0.4
319.07996	0.5
547.91620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.5
53.03944	3.9
55.01867	3.3
55.61213	0.8
56.24807	0.7
57.03437	7.6
61.02934	2.9
67.05508	1.8
68.34679	0.6
69.03433	98.8
71.01360	2.0
71.05008	3.4
71.53168	1.0
73.02916	2.6
74.29815	0.6
79.05489	1.2
81.03423	16.1
83.01348	1.1
83.08618	0.8
84.04491	1.0
85.02908	57.7
86.09705	1.0
87.04475	2.1
91.03957	0.7
91.05508	3.7
95.04964	3.3
96.32256	0.7
97.02897	26.1
99.00826	12.0
99.04450	8.0
99.05038	0.9
100.63695	0.6
101.02415	3.8
102.23709	0.8
107.04970	5.9
107.89208	0.7
109.02884	33.7
109.10134	0.7
115.03927	1.9
117.01884	6.2
119.04951	5.3
121.02883	1.0
123.04423	3.5
125.02336	1.5
127.03924	100.0
135.04433	2.3
137.02348	12.6
137.05978	0.9
139.03874	0.6
145.04964	38.2
147.04430	8.6
151.03918	0.9
155.03386	1.0
161.05988	0.9
163.03905	3.4
165.07008	2.1
169.05006	0.8
183.08060	2.3
189.07013	1.2
197.04469	1.7
207.08083	3.4
211.07564	2.3
215.05440	0.8
225.03981	4.5
229.08644	8.3
235.07616	8.1
239.06999	1.5
243.05008	5.4
253.08783	4.4
261.06073	10.6
263.07104	13.3
281.08133	21.1
287.09116	1.6
291.06549	5.1
299.07632	10.6
309.07532	18.6
327.08182	2.7
339.07022	1.5
369.08185	1.0
387.09140	3.5
405.10324	26.1
471.12604	2.2
471.21564	2.4
523.74316	0.7
547.30273	0.7
633.11554	1.3
633.27332	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56784	1.0
53.03952	5.6
55.01869	4.5
55.05517	18.7
57.03452	5.4
57.07075	2.1
59.04996	4.7
61.72985	1.0
65.03943	3.9
66.36465	1.0
67.05515	100.0
69.03441	37.6
69.06744	0.9
69.07081	13.5
71.01366	1.8
71.05002	5.4
77.03925	0.9
79.05505	33.7
81.03430	22.2
81.07069	39.6
83.04998	8.6
83.08629	11.3
85.02908	4.0
85.06554	4.2
87.04472	1.2
87.40978	0.9
91.05495	31.9
93.07057	34.0
95.04993	13.7
95.08622	31.9
97.02906	4.2
97.06530	5.8
97.10184	6.5
99.04462	3.9
99.08114	1.6
102.39836	1.0
103.05470	1.6
105.04556	1.5
105.07043	26.8
107.04984	3.4
107.08610	26.6
109.02896	6.1
109.06542	7.3
109.10175	58.1
111.04462	6.1
111.08087	5.4
113.06046	1.6
115.05470	1.5
117.07038	14.2
118.97407	1.0
119.04987	1.1
119.08604	24.1
121.06535	4.5
121.10153	17.8
123.04443	1.4
123.08092	5.9
123.11753	2.9
125.05982	1.3
125.09642	8.3
127.03912	3.4
128.06245	3.6
129.05571	1.5
129.07027	7.9
130.07790	1.4
131.04929	1.8
131.08588	19.5
133.06522	2.6
133.10164	16.5
135.08057	6.7
135.11716	9.4
137.06003	1.6
137.09631	6.9
137.13222	1.0
139.11205	2.9
141.07019	3.0
142.07822	3.0
143.08582	9.9
144.09375	1.5
145.06531	3.8
145.10130	17.1
147.08057	4.5
147.11728	9.0
148.79774	1.0
149.09639	4.5
149.13269	2.5
151.07599	3.1
151.96053	1.0
153.07140	1.2
155.08600	5.9
155.10701	4.4
156.09413	1.8
156.46718	1.1
157.06500	1.9
157.10155	9.3
159.08095	3.9
159.11707	11.9
161.09663	4.5
161.13306	4.6
163.07578	1.9
163.11206	5.0
163.14856	1.4
165.09166	2.8
165.12785	1.6
167.08568	2.9
168.09491	1.7
169.10110	6.5
171.08055	2.4
171.10382	1.5
171.11671	5.1
173.09653	1.9
173.11768	14.9
173.13300	6.5
175.11186	1.9
175.14786	2.5
177.09180	1.1
177.12770	2.4
181.10123	3.1
181.12309	2.5
182.11011	1.4
183.08066	1.4
183.11771	4.6
185.09645	1.9
185.13315	4.7
187.11244	2.3
187.14867	2.8
189.11230	3.2
189.12798	3.1
191.10701	1.2
193.10098	1.3
194.91228	1.0
195.11751	3.3
197.09888	1.4
197.11617	1.5
197.13281	4.4
199.11276	1.8
199.14822	2.8
201.12791	2.6
203.14418	2.1
205.12230	1.7
207.13823	2.0
209.13329	3.3
209.15245	1.5
211.11339	2.0
211.13197	1.4
211.15007	1.6
213.12740	2.7
215.14285	1.5
221.13512	1.8
221.15417	5.8
223.14952	2.1
225.12889	1.5
227.12740	2.3
229.14326	18.2
229.16219	1.4
231.13928	1.3
233.15666	1.3
239.14415	1.5
241.19495	1.9
247.17093	1.4
259.20630	1.9
261.22018	1.5
265.19745	1.1
273.22409	2.5
277.21674	2.5
283.20850	1.4
285.22137	1.3
287.20102	1.1
299.15067	3.0
299.20276	1.8
301.21634	6.6
313.21671	1.6
319.22791	3.5
323.23624	1.5
327.23376	4.3
337.16638	1.2
341.24887	1.8
345.24448	2.0
351.23108	7.3
353.24698	1.8
355.17529	3.8
369.24237	10.6
371.25806	1.5
387.25311	7.2
405.26355	3.0
443.28061	3.5
461.29041	7.0
489.35980	2.6
529.35889	1.8
541.35010	1.1
547.35858	1.1
555.37231	1.2
559.36334	1.9
585.37799	1.9
597.38104	6.7
603.38586	1.1
615.39197	11.2
633.40137	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03947	4.8
55.01866	4.0
55.05515	23.1
57.03448	6.1
57.07068	2.2
59.04990	2.6
65.03954	5.0
65.84119	1.0
67.05509	100.0
69.03432	41.3
69.03820	1.5
69.06736	1.1
69.07071	13.5
69.31860	7.2
71.01362	1.3
71.05000	5.6
71.08623	1.0
71.44929	1.1
73.02912	1.2
75.93485	1.0
79.05496	35.3
81.02987	1.6
81.03427	20.6
81.07061	46.8
82.69993	0.8
83.04989	8.6
83.08629	15.3
85.02902	5.0
85.06529	3.9
87.04436	1.1
89.90022	0.9
91.05487	38.5
91.56136	0.9
93.07055	40.1
95.04975	10.6
95.08611	30.6
97.02885	5.4
97.06544	5.7
97.10191	6.3
98.20802	1.9
99.04459	4.5
99.08129	1.0
103.05460	1.7
105.04510	1.5
105.07037	27.3
107.04971	6.4
107.07891	1.4
107.08601	25.2
109.02876	5.0
109.06516	6.7
109.10161	64.9
111.04459	5.7
111.08081	6.2
113.02386	0.8
113.09682	1.0
115.03981	1.0
115.05436	1.9
117.07016	16.3
119.08585	24.6
120.96698	0.9
121.06487	4.6
121.10155	17.6
123.04427	2.0
123.08092	5.2
123.11698	2.7
125.05922	1.1
125.09654	7.1
127.03918	2.6
128.06212	4.3
129.05551	1.3
129.07011	10.5
131.04933	1.8
131.08568	18.2
133.06496	3.2
133.10136	16.7
135.08043	4.3
135.10614	1.4
135.11694	9.1
137.05974	1.2
137.09618	7.5
139.11169	3.6
141.06976	4.6
142.07767	2.9
143.08582	10.2
144.09384	1.1
145.06500	3.8
145.10138	16.9
147.08073	4.0
147.11684	10.9
149.09622	4.0
149.13211	4.7
151.07498	2.0
151.11166	2.1
153.09145	1.8
155.08604	4.8
155.10638	5.2
156.09364	2.0
157.06462	1.4
157.10138	9.9
159.08040	3.5
159.11717	10.1
161.09576	4.4
161.13260	4.5
163.07526	1.2
163.11186	3.6
163.14851	2.0
165.12828	2.0
167.08537	1.8
167.10684	1.0
168.09409	1.4
169.10146	4.3
171.08047	1.3
171.11653	7.2
173.09674	3.6
173.11745	13.5
173.13290	8.7
175.11165	3.2
175.14799	2.5
177.12729	2.7
178.15958	1.5
179.08528	1.8
180.09428	1.0
180.17514	1.5
181.10117	2.9
181.12250	3.1
183.08168	1.1
183.11702	5.8
185.09613	3.9
185.13268	4.9
187.11258	2.1
187.14799	4.2
189.11246	3.1
189.12785	2.2
195.11697	3.0
195.13518	0.9
197.13316	4.4
199.11246	2.5
199.14830	2.9
201.12779	1.6
203.14368	1.1
207.11816	1.0
209.13248	2.5
211.11369	1.0
211.14899	2.3
213.12805	2.2
213.16391	1.0
215.14391	2.5
217.15953	1.3
221.15428	2.8
223.14908	2.2
227.12660	2.2
229.14311	21.1
233.15305	1.3
241.19562	2.6
245.13722	2.2
257.18811	1.1
259.20618	2.4
261.22189	1.7
271.20801	1.0
273.22244	1.4
277.21640	3.6
283.20499	1.4
287.20483	1.1
289.21741	1.7
291.23245	1.8
297.18649	1.2
299.14926	2.7
299.19925	1.4
301.18542	1.5
301.21628	7.9
311.20135	1.5
313.21585	2.3
315.23212	1.3
319.22827	2.7
323.23730	1.1
325.21390	1.1
327.23236	2.4
339.23441	1.3
341.24841	3.0
345.24194	2.2
351.23196	6.7
353.25018	1.1
355.17389	2.2
357.24478	1.4
359.25797	1.3
369.24301	12.3
375.25345	1.4
387.25244	7.6
393.26337	1.1
405.26465	2.4
425.27002	1.2
443.27881	5.1
461.28918	9.2
489.35678	2.6
490.83139	1.1
519.38123	1.2
529.35022	1.2
547.36255	1.7
589.39819	1.5
597.37799	7.4
615.39044	9.7
633.40002	59.1
645.94232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
53.62534	1.9
55.01869	4.7
55.05517	79.6
57.07067	8.9
65.03928	3.9
66.16815	2.0
67.05508	53.2
69.03450	16.5
69.07064	12.9
71.04984	9.6
77.03914	2.3
79.05503	21.6
81.03413	7.4
81.07059	29.5
83.05000	17.0
83.08624	100.0
85.02912	3.7
85.06538	10.0
87.04465	4.7
91.05481	31.0
93.07053	32.3
95.04988	15.0
95.08620	32.4
97.06540	29.8
97.10151	4.6
103.05451	2.6
105.07037	41.6
107.04984	3.8
107.08601	56.0
109.06514	9.5
109.10160	32.3
111.04483	2.9
111.08089	9.1
111.24294	2.5
113.09664	10.4
117.07022	9.2
119.08595	35.2
121.06506	7.1
121.10149	21.8
123.08070	15.6
125.05959	2.4
125.09643	20.3
127.07510	2.4
128.06247	7.3
129.07021	12.0
130.07826	2.5
131.08582	24.2
133.06502	2.6
133.10143	24.5
135.08032	5.4
135.11691	7.2
137.09602	7.2
139.07623	2.3
139.11179	22.4
141.06990	2.8
142.07764	11.5
143.08575	22.0
144.09335	3.0
145.06509	4.9
145.10149	28.3
147.08055	4.1
147.11658	11.2
149.09648	6.9
153.09138	4.5
153.12781	5.0
154.07858	2.6
155.08571	6.9
155.10631	15.6
156.09402	5.3
157.10135	25.9
159.08060	9.6
159.11694	14.0
161.09612	4.2
161.13373	2.7
163.11154	5.0
164.82649	2.7
165.07024	5.1
167.08569	5.5
169.10133	17.1
169.12251	2.4
170.10960	3.7
171.10352	4.1
171.11655	15.2
173.09685	4.9
173.11777	4.7
173.13188	5.2
175.11166	3.9
175.14711	3.1
179.08623	6.3
179.10680	3.4
179.14330	4.6
180.09334	4.0
181.10150	11.2
181.12257	31.6
182.10919	5.1
183.11668	12.9
185.09618	5.0
185.13283	6.9
187.14738	2.6
189.12709	4.7
193.10185	4.3
194.10919	3.3
195.11713	12.0
195.13829	8.5
196.12502	3.8
197.09642	2.8
197.13297	9.6
199.11176	5.1
199.14767	3.3
201.12703	2.5
203.14301	4.2
206.10834	3.4
207.11737	9.6
207.13708	3.6
208.12416	3.4
209.13332	12.5
209.15019	2.8
211.14885	7.7
213.12909	3.3
215.14366	4.9
217.15736	3.0
219.11780	2.5
219.13794	3.4
221.13278	8.9
221.15398	15.1
223.13039	3.0
223.14854	6.6
225.12909	2.7
229.14360	5.6
231.11740	3.8
231.17685	2.4
233.13248	2.4
233.15343	5.8
234.14078	2.4
235.14813	4.3
237.14609	3.3
237.16650	2.7
241.15993	3.5
245.13275	5.2
246.14073	3.8
247.14732	4.0
247.16998	8.2
249.16599	3.0
253.15614	2.8
259.14658	2.8
259.17154	2.5
260.15384	3.1
261.16422	8.7
283.16873	3.2
285.18539	11.9
295.20920	2.7
297.18723	2.8
298.19275	7.4
299.20105	17.4
311.20126	4.8
323.20035	4.6
350.13992	2.6
364.23947	3.9
369.24594	3.8
429.27902	8.7
464.27286	2.3
465.29944	3.2
492.37637	11.5
509.32529	2.9
523.34155	4.3
597.38708	9.0
615.40082	20.3
633.40173	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	635.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01861	1.1
57.03415	0.4
61.02914	1.1
64.68503	0.3
68.99790	2.3
69.03428	3.5
69.61077	0.3
70.96469	0.5
70.96840	0.8
71.05009	0.5
73.02944	0.4
75.00799	0.4
81.03413	2.6
83.01332	0.4
85.02430	0.6
85.02909	8.0
89.03922	0.5
91.03944	0.5
92.83173	0.3
95.04977	0.3
97.02891	3.6
99.04460	0.6
99.62965	0.3
107.04945	0.9
109.02851	2.0
111.00771	2.4
111.04448	1.1
121.02844	1.3
123.04432	8.4
127.03918	24.4
129.06985	0.5
131.04953	0.8
135.04424	10.2
136.01541	0.6
137.02319	0.9
139.03906	4.5
143.03387	0.5
145.04985	2.4
145.06491	0.6
149.02333	5.3
149.05965	0.6
151.03902	2.7
155.03609	0.4
155.04941	1.0
159.04411	0.9
161.05966	0.7
163.03909	11.9
165.01808	0.5
167.03404	13.1
169.04953	1.1
169.06400	0.7
173.05952	1.4
177.05479	0.7
179.03404	1.5
183.02930	0.7
183.04420	0.6
185.04457	100.0
187.03926	2.1
191.03415	0.9
193.04955	0.4
197.04454	5.9
197.06006	0.8
201.05479	3.8
205.04993	0.6
209.04436	2.3
213.05434	0.4
215.03511	0.4
215.07028	0.6
217.04993	1.7
219.02704	0.4
219.06433	0.8
225.03746	0.5
225.05719	0.4
227.05531	4.3
229.04944	4.6
235.06055	2.0
241.04984	0.6
243.02972	2.0
243.06535	1.1
245.04379	0.5
247.06027	48.0
249.04056	0.8
253.04851	0.5
259.05997	0.4
261.03967	3.2
261.07208	0.6
269.04422	1.0
271.06058	5.0
273.03989	0.6
285.00830	0.8
285.03937	14.3
287.05487	2.1
289.07077	4.2
291.05020	1.2
303.04990	34.9
305.06512	4.1
305.62204	0.3
311.05640	0.5
315.04935	1.4
318.46616	0.4
321.06058	4.9
329.06631	2.0
333.06036	10.4
345.06107	1.2
347.10275	3.5
389.10547	0.5
455.09598	2.3
465.10300	3.5
467.11810	0.6
483.11346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2702
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.00293	2.7
53.03934	7.2
55.01881	11.7
55.05515	64.4
56.54743	2.6
57.03421	6.1
65.03946	4.3
67.05513	34.7
68.90033	2.3
69.03432	26.1
69.07078	15.7
69.21338	10.5
69.21761	12.7
70.74442	2.7
71.05003	3.8
79.05502	43.4
81.03423	47.1
81.07056	32.7
83.04968	9.1
83.08617	35.0
85.02898	10.6
85.06532	3.0
91.05483	51.6
91.85588	2.4
93.07047	25.0
95.04951	5.0
95.08619	12.6
97.02893	16.1
97.10174	89.0
99.04442	7.1
103.05455	3.7
105.07025	20.0
107.04926	8.3
107.08604	34.1
109.02884	41.3
109.06502	5.7
109.10152	8.3
111.04474	2.8
111.08036	6.1
115.05444	6.7
117.07037	39.6
119.08591	68.0
121.02849	3.5
121.06475	8.2
121.10171	5.7
123.04385	2.8
123.08027	3.9
125.06065	2.5
125.08771	4.5
125.09637	68.2
127.03933	35.5
128.06178	3.7
129.07002	7.1
131.08595	13.5
133.06500	3.9
133.10135	8.0
135.08044	18.9
143.03371	6.5
143.08568	13.1
143.10698	4.3
145.06503	36.2
145.10112	8.8
147.07991	7.4
147.11703	3.3
149.02385	3.2
151.99643	2.6
153.09111	13.4
155.08546	4.2
157.10135	7.1
159.08087	18.7
159.11716	3.7
161.09593	7.5
163.07536	5.4
167.03397	10.8
169.10164	5.2
171.10172	9.3
171.11578	5.1
173.09642	8.3
181.10155	5.3
183.11687	3.4
185.04469	52.9
185.09563	4.6
189.11234	100.0
189.12947	4.8
197.04388	4.4
199.11180	5.0
209.04420	4.5
209.09641	9.3
213.11276	5.8
215.10602	3.3
221.04265	2.9
227.10649	7.7
233.04405	2.6
243.17566	3.0
261.11255	3.2
261.18594	3.3
271.16913	77.3
275.05563	7.4
279.12250	9.9
289.17966	46.4
295.11688	7.1
297.13376	19.2
315.14346	23.3
337.13104	2.7
379.19080	6.8
397.20142	7.3
415.21014	6.6
433.22275	13.4
438.29413	3.4
617.26257	3.2
635.26666	3.3
635.37360	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2866
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
54.37862	0.6
67.05520	0.8
69.07051	0.7
71.52164	0.7
79.05528	0.8
81.07067	1.7
91.05469	0.7
93.07069	0.9
95.08605	0.8
107.08674	0.7
109.10232	0.7
121.10167	0.9
184.65041	0.6
241.95638	1.1
388.17184	0.8
389.17789	1.2
403.19321	3.2
405.20773	2.0
415.15240	1.5
417.16187	1.2
417.21585	4.5
418.21494	1.2
419.22446	3.9
429.17099	2.0
430.17728	4.6
431.18057	7.6
432.19470	2.6
432.23947	1.4
433.24225	4.4
434.24734	1.4
443.18640	1.1
444.19559	2.8
445.19965	13.4
446.20773	4.5
447.21832	2.9
457.20334	1.6
458.21561	1.1
459.21982	6.5
460.22562	12.4
461.23465	9.4
473.23209	2.3
477.23074	0.9
488.22180	1.1
503.24515	1.1
505.22321	1.9
515.24396	0.9
517.22247	1.4
519.23608	3.9
531.23816	2.6
533.26208	1.1
546.26105	3.4
547.27039	20.2
563.26556	0.9
575.26514	1.4
577.24567	3.0
591.26062	3.7
606.28363	11.8
606.37158	1.1
607.29163	24.4
635.28662	100.0
636.28809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.47927	0.1
56.59360	0.1
58.91988	0.1
67.05508	0.7
68.09411	0.1
69.03429	0.2
69.07056	0.3
79.05502	0.3
81.07044	0.8
83.08624	0.3
91.05484	0.3
91.26773	0.2
93.07031	0.3
95.08597	0.5
96.60299	0.1
98.98468	2.2
101.76366	0.1
105.07037	0.3
107.08616	0.2
109.10156	0.3
118.06552	1.2
119.08637	0.2
125.00014	6.6
132.08086	0.5
133.08850	0.2
133.10101	0.1
144.08087	8.4
145.08871	0.3
146.09651	0.5
158.09656	3.3
159.10434	1.3
160.11244	0.3
172.11215	2.3
173.11932	0.3
176.14365	10.4
179.77452	0.2
184.07364	0.4
186.12828	0.3
190.12241	0.3
202.15919	87.8
203.16205	0.8
220.16982	10.0
300.13605	100.0
301.13858	0.7
374.17416	0.2
463.08255	0.2
554.78156	0.2
618.39288	1.4
636.40363	4.7
637.26599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	11.6
55.01872	13.0
55.05270	1.9
55.05516	18.3
57.03427	5.8
57.07071	1.4
59.05030	1.5
61.44349	1.7
63.98504	1.5
65.03939	2.3
67.01869	2.0
67.05510	68.9
69.03437	27.9
69.07078	20.5
71.01360	1.4
71.05003	10.3
71.52435	1.8
71.52795	1.7
79.05492	40.2
81.03422	73.1
81.07063	68.0
83.01340	2.1
83.04985	14.4
83.08616	8.8
85.02913	12.9
85.06541	8.9
91.05488	65.5
93.07053	46.0
95.04972	15.8
95.08617	22.0
97.02897	15.8
97.06539	6.7
97.10157	3.3
99.04440	9.4
99.08102	2.2
99.87986	1.7
103.05457	2.6
105.04485	2.7
105.07040	60.9
107.04955	12.0
107.08600	49.1
109.02885	43.3
109.03606	3.3
109.06541	11.1
109.10168	66.0
111.04450	4.7
111.08075	4.8
113.05997	3.6
117.07023	11.3
119.04925	2.7
119.08595	16.5
121.02868	2.4
121.06509	10.1
121.10147	11.0
123.04439	2.7
123.05582	2.3
123.08056	5.1
123.11715	12.3
125.09624	3.8
127.03927	45.6
127.04824	3.4
127.07554	2.9
128.06265	2.2
129.07004	6.1
131.04892	2.6
131.08563	18.7
133.06459	9.5
133.10143	100.0
135.08061	15.6
135.11691	6.4
137.09610	3.5
139.03944	2.1
139.07625	1.9
143.03383	4.1
143.08583	6.3
145.04976	3.4
145.06505	2.5
145.10117	11.4
146.07266	1.6
147.08087	6.9
147.11688	6.4
149.02345	3.8
149.09631	11.0
149.13281	2.5
151.03969	1.9
151.07637	2.3
151.11197	77.5
153.28320	1.8
155.03426	2.9
155.08495	1.8
157.10146	7.0
159.08093	3.0
159.11725	3.8
161.06093	2.0
161.09662	9.1
162.37526	1.6
163.03975	1.7
163.07593	3.2
163.11217	5.3
165.09048	2.5
167.03410	15.4
167.08511	1.6
167.10794	1.7
169.12250	30.0
169.28656	1.8
171.08148	3.1
171.11726	4.9
173.09674	3.1
175.11209	5.5
177.09125	5.8
177.12735	3.0
179.10732	7.6
181.12224	1.7
185.04469	52.3
185.13356	2.1
193.12268	3.1
197.11749	5.1
199.11182	1.9
203.10696	2.0
205.04959	2.2
209.04436	2.6
213.12912	1.7
215.12773	20.1
217.12250	2.3
221.04520	2.0
227.05502	3.3
227.18190	2.4
231.13759	1.8
233.04495	2.0
239.12805	3.9
245.19077	7.5
251.05553	1.8
255.17458	4.2
259.13138	2.1
263.20074	7.0
265.10858	2.5
271.16791	1.6
271.57596	1.5
273.18527	28.3
275.05389	3.2
289.18106	2.5
291.19543	39.3
295.15271	4.0
305.13794	4.4
309.20547	1.6
321.13275	2.3
323.14923	19.6
333.20599	2.3
341.15967	32.7
381.20517	3.0
399.21619	3.6
413.73605	1.6
417.22742	4.7
435.23819	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	637.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74899	1.2
53.03955	14.7
55.01886	12.5
55.05518	20.6
57.00118	1.5
57.03441	11.9
57.07073	1.5
59.04978	2.0
61.02955	1.4
65.03947	5.5
67.01900	1.4
67.05511	69.9
68.26170	1.6
69.03085	2.2
69.03437	29.4
69.07077	22.4
71.01360	2.2
71.04999	14.8
71.16570	3.1
73.02907	1.8
79.05500	48.2
81.03427	80.6
81.07066	79.3
83.01374	1.8
83.04988	18.7
83.08642	8.6
85.02917	10.1
85.06560	7.6
90.75869	1.4
91.05491	75.2
93.03452	1.8
93.07055	57.1
93.07640	3.2
95.04984	17.7
95.08615	29.8
95.09179	2.9
97.02901	20.4
97.06546	8.6
97.10172	3.0
99.04468	11.9
103.05492	1.7
105.04524	1.7
105.07043	65.2
107.04966	14.5
107.08610	49.5
109.02890	49.1
109.06513	12.5
109.10166	65.7
111.04464	7.1
111.08076	4.5
113.06039	3.5
115.05465	2.0
115.47251	1.4
117.07027	16.2
119.04939	2.1
119.08595	19.8
121.02839	2.0
121.06522	12.9
121.10165	11.3
123.04478	4.4
123.08103	9.7
123.11735	12.5
125.02366	3.4
125.06017	1.9
125.09658	4.1
127.03932	53.3
127.07587	5.1
128.06245	3.0
129.07010	9.7
131.04950	2.3
131.08582	18.6
133.06505	10.6
133.10144	100.0
135.04454	2.0
135.08066	13.9
135.11716	7.9
137.05981	3.9
137.09644	4.5
139.03886	2.9
139.07545	2.2
142.07780	3.0
143.03387	3.5
143.08582	9.8
145.04936	3.0
145.06572	3.7
145.10144	13.8
147.08052	8.6
147.11716	8.0
149.02361	4.0
149.06010	1.6
149.09642	15.1
149.13289	2.2
151.11197	65.5
155.03386	3.3
155.08565	2.3
157.06464	2.2
157.10146	8.1
159.08066	5.5
159.11717	7.1
161.05995	3.3
161.09630	14.9
161.13312	2.0
162.58723	1.6
163.03981	2.2
163.11205	4.9
165.09145	2.5
167.03418	16.3
169.01350	3.1
169.05066	2.0
169.10107	2.6
169.12259	20.2
171.08157	2.0
171.11736	7.7
173.09662	4.4
173.13335	3.1
175.11223	10.2
175.14839	1.5
177.09140	5.6
179.03336	2.1
179.10646	10.2
181.12239	2.0
185.04475	57.9
185.09602	3.5
185.13297	5.7
187.11168	3.5
189.09157	2.4
189.12730	2.9
191.10623	2.1
193.12305	4.0
197.04503	6.2
197.11784	2.1
199.11189	2.0
201.12703	1.6
203.10683	6.4
203.14424	1.9
205.12271	2.2
207.13858	2.5
209.04491	4.0
209.11740	2.2
213.12769	2.5
215.12805	18.7
217.12199	2.1
221.11711	2.4
227.05370	2.1
227.17850	3.6
231.13716	1.9
233.04530	2.6
237.07646	3.5
239.12860	6.0
245.18976	9.6
247.06230	1.6
255.17430	5.4
259.13321	2.1
261.18448	1.7
263.20145	9.6
265.10858	3.3
273.18512	39.2
275.05569	4.9
279.12006	1.4
281.14236	1.6
281.17447	4.6
289.17975	2.1
291.19550	53.2
295.15469	3.4
299.14920	1.9
301.14099	1.5
305.13788	4.8
309.20956	3.3
315.19495	1.5
321.13458	2.1
323.14954	17.8
333.20746	2.5
339.14252	2.5
341.16022	33.9
351.21600	1.5
353.21213	2.1
357.20755	1.5
381.20709	3.2
389.23245	2.3
397.20190	1.8
399.21652	4.5
415.21326	3.4
417.22641	7.2
417.94928	1.7
435.23746	13.0
439.21045	2.5
453.24725	2.6
457.22089	2.4
457.29312	3.1
475.30649	13.3
619.34784	3.4
637.40192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03948	2.6
55.01870	3.1
55.05515	10.4
57.03424	1.0
57.07053	0.5
63.86012	0.3
65.03925	0.9
67.05507	10.0
69.03083	0.5
69.03436	5.7
69.07070	9.3
70.68996	0.4
70.69344	0.6
71.01344	0.3
71.04642	0.3
71.04994	1.8
77.03926	0.4
79.05495	10.5
81.03420	13.7
81.06586	0.5
81.07058	8.5
83.01379	0.4
83.04982	1.4
83.08618	5.2
84.06084	0.3
85.02929	1.7
85.06524	0.3
91.05484	9.1
93.06481	0.5
93.07048	8.8
95.04970	4.7
95.08610	4.4
97.02897	5.5
97.06535	1.3
97.10168	6.9
99.04472	1.5
101.39307	0.3
103.05462	0.5
105.03391	0.9
105.07034	7.9
107.04964	3.9
107.08600	5.5
108.05759	0.4
109.02889	9.2
109.06505	1.7
109.10164	2.5
111.04462	0.6
111.08047	0.9
115.05447	0.8
117.07016	3.6
119.04933	1.4
119.07805	0.5
119.08598	5.6
120.05736	0.4
121.02836	0.6
121.06507	2.3
121.10165	2.0
123.04404	0.8
123.08062	1.8
123.11735	0.6
125.08780	0.3
125.09636	4.5
127.03920	8.2
128.06250	0.7
129.07024	2.2
130.07785	0.4
131.08577	4.2
133.06523	2.6
133.10139	2.1
134.07257	0.8
135.04448	0.4
135.08078	1.4
135.11676	0.9
137.06013	0.3
137.09621	1.6
139.03984	0.7
141.06993	0.4
142.07794	0.5
143.08563	2.0
145.04977	0.4
145.06483	0.7
145.10118	3.2
147.08040	4.0
147.11665	1.1
149.02344	1.4
149.09618	1.3
149.13258	0.5
151.03874	0.5
153.09126	0.6
153.12737	0.3
155.03360	1.2
155.06096	0.3
155.08571	0.3
157.06587	0.3
157.10130	1.3
159.08093	0.6
159.11655	1.4
161.05914	0.3
161.09607	1.1
161.13194	0.4
162.10420	0.7
162.88495	0.3
163.03941	0.5
163.11194	0.8
165.09071	0.7
165.86664	0.2
167.03424	3.0
169.05013	0.8
169.10059	0.3
169.12189	0.8
171.10277	0.7
171.11685	1.0
173.13257	0.3
175.11165	1.3
177.12718	0.7
179.03407	1.8
179.10747	0.6
181.05135	0.3
181.10152	0.5
185.04465	11.8
185.13286	0.4
187.11212	0.4
189.11223	4.6
189.12738	0.6
193.04984	0.5
193.12227	0.4
195.11697	0.5
195.13782	0.4
197.04453	4.2
197.06161	0.5
199.11137	0.3
203.03465	1.5
203.14336	0.4
205.04948	0.5
205.12280	1.0
209.04489	1.3
211.06053	0.3
217.12198	0.4
221.04437	6.9
221.11768	0.4
223.13292	9.1
227.05472	0.5
227.18044	0.4
233.04407	0.3
235.13379	0.7
245.19035	1.0
247.09753	0.5
247.13235	0.3
249.14909	2.9
251.05656	0.4
255.17479	0.7
263.20056	0.7
265.10739	1.8
271.09418	0.4
273.18509	9.4
275.05612	0.5
277.10739	0.4
289.10403	0.6
291.19550	100.0
292.19910	1.4
305.13831	0.8
307.11755	0.5
309.20770	0.7
317.13788	0.4
319.75522	0.3
340.69540	0.3
341.13873	0.3
359.15161	0.6
363.21613	0.6
381.20663	0.5
387.21609	0.5
397.20261	0.8
399.21457	0.9
415.21039	0.8
417.22662	1.5
435.23816	4.7
439.21124	0.6
457.22443	0.5
601.26349	0.4
619.26843	0.4
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
51.02378	1.6
53.03936	3.1
55.01885	4.9
55.05518	41.8
57.03442	11.4
57.06838	1.2
57.07087	16.6
65.03947	2.2
67.05515	38.3
69.03437	2.1
69.07079	55.4
69.17577	7.9
69.17991	1.8
71.04986	2.4
71.08640	8.6
74.82503	1.0
79.05503	34.1
81.03409	3.8
81.07067	43.9
83.04974	5.8
83.08630	41.5
83.09129	2.0
85.06538	1.6
85.10169	3.6
89.06045	0.9
91.05493	24.5
93.06483	1.7
93.07056	34.4
93.07642	1.9
95.04998	7.1
95.08620	22.5
95.09225	0.7
97.06530	9.9
97.10186	25.7
98.21534	2.0
99.08116	1.1
105.07051	21.4
107.04961	3.9
107.08607	21.6
109.06522	4.3
109.10170	8.6
111.08074	4.4
111.11722	5.0
115.05510	1.2
117.07037	10.5
119.08599	14.1
121.06524	3.7
121.10167	12.4
123.08069	3.0
123.11712	2.8
125.09645	2.8
125.13272	1.3
129.07005	2.6
131.08589	13.0
133.10149	12.4
135.08081	2.2
135.11700	11.3
137.09613	2.7
137.13380	1.0
143.08551	2.3
145.10150	8.7
147.08060	1.1
147.11665	5.9
149.09665	4.5
149.13280	8.2
151.11182	1.3
155.08626	1.3
157.10139	3.0
159.11705	8.6
161.13306	2.2
163.11159	4.4
165.12804	1.4
169.10081	1.5
171.11644	2.3
173.13228	2.7
175.11246	1.3
177.12729	3.4
181.12306	1.2
183.11644	1.3
185.13319	1.2
195.13806	4.8
197.13248	1.3
227.12825	1.3
227.20114	1.1
237.22255	4.6
239.18018	2.6
247.20583	1.6
251.16336	2.1
253.14407	1.6
255.15926	8.2
257.19077	7.1
269.17535	12.5
275.20093	22.8
291.19452	3.0
293.21133	2.2
311.25842	68.7
321.24280	1.1
331.22742	2.1
349.23801	20.6
367.24847	2.6
437.85904	1.0
491.37415	30.9
505.38950	100.0
506.39304	1.2
545.41443	2.9
585.45135	19.5
603.46100	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	639.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03946	0.2
55.05502	0.2
56.03349	0.1
57.03432	0.3
61.02939	0.2
61.19583	0.1
62.01598	0.2
63.02385	0.6
67.05497	0.3
68.99790	0.4
69.03423	0.3
69.07095	0.2
69.43754	0.5
69.44179	0.6
71.01356	1.3
78.04726	0.6
79.05505	0.5
81.03429	0.5
81.07063	0.3
83.08594	0.2
84.04519	0.2
85.02914	1.7
89.03918	11.1
91.05485	1.2
93.07043	0.5
95.04962	0.4
97.02895	0.5
98.20857	0.3
103.05465	0.5
105.03377	0.2
105.07045	0.3
106.04184	0.7
107.04970	0.2
107.08569	0.1
109.10145	0.2
111.04471	0.2
113.02378	0.3
117.03386	28.5
119.04963	0.5
119.08619	0.2
121.02885	0.8
121.06510	0.2
124.05223	0.4
125.76704	0.1
129.04497	0.1
130.04204	0.2
131.03358	0.2
131.04898	0.6
133.06506	0.2
134.03639	2.4
135.04422	1.7
135.67023	0.1
136.01491	0.2
137.02383	0.2
137.05975	0.4
141.01782	0.2
141.07021	0.3
144.05748	0.3
145.02852	63.9
146.03142	0.3
147.04420	1.3
149.05986	9.0
151.03906	0.2
153.01862	0.9
155.04993	0.2
157.06520	0.4
158.06071	0.6
159.02921	0.2
159.04364	0.2
160.05229	0.1
161.05977	0.8
162.03146	0.4
162.06772	2.9
163.03917	0.3
163.07509	0.3
164.04744	0.3
165.01845	0.6
171.04465	0.4
173.05946	0.2
173.09607	0.1
175.03912	0.5
175.07640	0.8
177.05478	100.0
178.05856	0.5
183.02882	0.3
183.04361	0.2
185.06004	0.5
186.05515	1.9
187.07550	0.2
189.05464	1.6
190.06282	0.5
191.07036	0.6
195.06561	1.7
199.03909	0.2
199.07556	0.3
201.05501	0.5
203.07126	0.8
204.07831	1.3
205.04924	1.0
207.06610	0.2
213.05490	0.6
215.07123	0.6
217.05042	0.6
219.06543	0.4
227.07120	0.2
227.12793	0.2
229.05038	0.2
231.06537	0.9
232.07312	2.5
233.08057	0.2
239.03302	0.3
241.04929	0.4
243.06602	0.8
245.08035	0.4
255.06456	0.2
258.05319	0.3
260.06815	18.5
261.07635	1.3
271.06067	1.1
273.07602	1.1
287.05511	28.1
288.05750	0.2
289.07098	1.2
291.08621	1.1
299.05508	1.8
317.06647	0.8
335.07587	1.8
353.08685	7.9
459.27679	0.3
477.28552	0.5
632.16650	0.2
664.30603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.70638	0.8
55.05507	2.2
67.05502	3.9
69.07074	1.3
71.53090	0.8
75.26974	0.9
79.05489	2.1
81.03421	1.3
81.07061	3.3
83.08650	1.2
91.05482	2.4
93.07040	2.1
95.04986	1.3
95.08605	1.7
97.06552	0.8
103.56654	0.7
105.02835	0.7
105.07040	2.9
107.04903	0.9
107.08631	1.7
109.06473	1.0
117.07030	0.7
119.08604	1.4
121.10155	0.9
131.08614	0.9
133.10136	1.7
145.10153	0.9
151.48804	0.7
199.14755	0.8
237.10176	0.8
273.18372	0.9
275.19943	1.3
301.24274	0.8
327.13431	1.1
393.16864	2.1
405.17114	1.3
407.18646	2.7
419.18515	1.2
420.19797	1.3
421.20416	10.5
422.21173	2.3
433.20200	2.5
434.21539	1.4
435.17969	3.2
435.22333	2.6
436.22531	4.8
445.16559	1.4
447.21829	2.5
448.18683	2.1
449.19565	14.7
450.20541	3.9
461.19312	2.1
462.20721	1.0
463.21716	5.9
464.22113	9.8
465.22629	2.3
474.20340	1.5
475.21173	2.7
477.18506	3.5
478.19955	3.6
479.20990	1.4
492.21439	3.0
493.22247	3.2
505.22336	1.2
506.39175	1.0
507.24420	1.8
521.25043	1.2
533.24744	1.3
533.32709	1.7
535.23492	1.9
536.23969	2.2
547.33905	2.1
550.25305	2.3
551.26404	7.6
561.24823	8.1
563.34760	2.9
564.23785	7.4
565.24457	1.4
579.26038	44.4
580.26471	1.3
581.36237	5.3
607.25671	1.9
611.28375	1.2
621.26794	19.0
621.38940	5.9
639.27911	100.0
639.39984	76.5
640.28558	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05514	1.4
55.85753	0.6
67.05503	2.8
69.03420	0.6
69.07069	0.8
69.15811	1.2
69.16217	4.6
79.05488	1.8
79.80558	0.5
81.03411	0.5
81.07061	1.2
83.08640	0.5
91.05469	1.9
93.07047	1.9
95.01332	1.5
95.08614	1.1
97.10168	0.8
97.19516	0.5
98.20782	1.1
105.07059	1.4
107.08620	1.1
109.02030	0.5
109.10127	0.7
117.07067	1.0
119.08581	2.0
121.10197	0.5
125.09654	0.8
131.08592	0.7
133.10123	0.6
145.10168	0.9
159.11829	0.6
163.46808	0.5
189.11444	0.7
225.62810	0.6
273.18439	0.6
287.12891	1.0
327.13980	0.7
328.14642	0.6
349.24039	0.5
351.13525	0.6
366.16299	0.6
379.18933	0.7
393.17081	1.6
393.21451	0.6
405.17139	0.6
406.18207	0.8
407.18515	3.5
419.19110	1.3
420.15363	0.9
420.20187	0.7
421.16354	0.7
421.20444	7.8
422.20999	1.8
423.21960	0.7
433.15695	0.8
433.20529	1.6
434.17072	0.9
435.18207	2.6
436.22693	4.7
447.22595	1.5
448.19110	1.6
449.19614	11.4
450.20288	4.3
454.68124	0.6
461.19968	1.0
463.21585	6.4
464.22092	11.6
464.28662	0.6
465.22806	2.1
474.20654	0.7
475.21295	2.0
477.18256	2.6
478.19986	2.9
492.21542	1.3
493.22473	1.1
495.24097	0.6
505.22559	0.9
507.24307	1.2
519.23822	1.2
521.21765	1.0
523.22992	1.1
535.23901	2.7
536.24335	2.3
547.22900	0.6
550.25940	2.4
551.26642	5.8
561.24817	2.6
564.23688	8.7
565.24365	0.7
577.85577	0.6
579.26074	34.3
580.25958	0.8
597.26550	0.7
611.28455	0.7
621.27179	1.7
621.40479	0.6
624.25928	2.0
639.28143	100.0
640.28687	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05506	0.3
57.02077	0.2
67.05507	0.5
69.07079	0.3
69.86127	0.9
79.05495	0.7
81.07069	0.6
86.00638	0.2
91.05495	0.3
91.64815	0.2
93.07074	0.3
95.08613	0.3
97.10175	0.2
98.82167	0.2
100.97599	0.2
105.07021	0.5
107.08629	0.4
107.31949	0.2
109.39545	0.2
109.43536	0.2
117.07000	0.2
119.08603	0.5
172.03897	0.3
204.06592	0.4
207.22345	0.2
211.08600	0.3
213.10123	0.3
219.76686	0.2
225.10194	0.3
237.10406	0.5
239.11827	0.5
240.12813	0.2
249.10181	0.3
251.11876	0.4
275.20148	0.4
278.67294	0.2
284.12097	0.3
288.11700	0.2
289.09412	0.2
291.19550	0.4
311.14166	0.3
314.12952	0.2
316.14496	0.2
325.12198	0.3
326.12939	0.3
328.14621	0.2
330.16214	0.3
338.12512	0.2
340.14597	0.4
342.16315	0.4
358.19638	0.2
368.17929	0.2
372.16986	0.2
379.19153	0.4
391.15433	0.5
392.15680	0.3
393.17041	0.8
393.21008	0.7
403.15378	0.4
405.17224	0.9
406.17786	1.1
407.18661	1.8
409.20197	0.3
417.17133	0.5
418.17853	0.4
419.14725	0.8
419.19409	1.0
420.15137	0.4
420.19708	0.8
421.20526	5.4
422.21381	1.3
423.21829	0.8
431.18945	0.4
432.19601	0.7
433.16092	0.8
433.21396	1.4
434.17429	1.1
434.21817	0.7
435.17233	2.6
435.22653	0.8
436.22824	2.1
437.24057	0.3
443.18439	0.3
444.15677	0.3
445.16183	0.6
445.21484	0.3
446.16959	0.5
447.17786	1.0
447.22263	1.0
448.18579	2.2
449.19724	9.0
450.20480	2.5
451.20975	0.5
459.18442	0.6
460.18753	0.7
461.19757	1.4
462.20410	0.9
463.21799	4.8
464.22144	4.7
465.22958	0.9
473.19632	0.3
474.20718	0.8
475.21460	1.8
476.17896	0.4
477.18851	5.7
478.19931	2.0
479.20825	1.0
481.22598	0.3
491.20605	1.3
492.21051	1.1
493.22845	1.1
495.23929	0.7
496.24457	0.3
501.22879	0.3
505.22665	1.0
507.23703	0.9
509.21640	0.2
509.26224	0.3
521.22015	0.8
523.23090	2.1
533.22467	0.7
535.23657	3.1
536.24237	1.7
537.21832	1.3
547.23187	0.6
549.21362	0.4
550.25970	1.1
551.26550	3.2
561.24976	3.8
563.23267	0.4
564.23737	4.6
565.24377	2.2
567.25555	0.4
579.25928	5.7
581.24219	0.6
592.23035	0.8
595.25616	2.9
596.26221	1.2
607.25256	0.9
609.23444	0.4
610.27673	0.9
621.27039	3.4
622.27228	0.4
624.25690	4.9
639.28119	100.0
640.28339	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	639.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
55.01877	9.5
55.05509	35.1
57.03435	10.2
57.07070	3.3
61.02923	3.5
65.03931	5.8
67.05505	100.0
68.05824	2.2
69.03429	28.4
69.07065	25.1
71.01341	3.2
71.04990	13.1
71.52589	2.0
73.02921	2.0
79.05491	61.3
81.02924	2.7
81.03419	81.1
81.07056	96.9
82.07384	1.3
83.01336	2.9
83.04987	20.2
83.08619	23.8
85.02903	20.4
85.06539	5.0
89.29380	1.9
91.03976	3.0
91.05479	56.3
93.07042	56.4
95.04975	21.0
95.08607	49.0
97.02895	28.0
97.06545	9.9
97.10160	14.1
99.04449	8.2
99.08108	2.9
101.02386	1.3
103.03964	1.9
105.06322	1.5
105.07027	41.2
107.04960	17.0
107.08602	34.7
109.02880	31.8
109.06535	13.4
109.10152	42.5
111.04456	14.3
111.08086	8.4
113.02393	1.6
113.90395	1.3
115.05487	2.1
117.07019	16.2
117.41103	1.8
119.08569	31.2
119.09367	2.3
121.02853	2.5
121.06501	10.1
121.10139	24.5
123.04413	8.5
123.08063	6.5
123.11694	9.4
125.02357	2.0
125.06000	2.1
125.09613	13.6
127.03918	35.1
128.06230	1.8
129.05505	2.0
129.07004	11.3
130.07845	1.6
131.04951	3.3
131.08568	23.8
133.06465	4.7
133.10123	25.6
135.04446	2.0
135.08076	10.6
135.11685	14.4
137.09628	6.7
139.03891	6.7
139.11171	1.8
141.06969	3.2
143.03441	2.1
143.08568	6.2
144.09427	1.5
145.06468	5.8
145.10117	18.9
147.04414	5.5
147.08038	6.9
147.11693	18.5
149.02342	4.8
149.05971	3.3
149.09595	11.1
149.13263	13.0
151.03915	5.6
151.11200	3.7
153.09119	2.2
153.12724	4.0
155.03389	6.1
155.08543	5.6
155.10674	3.3
157.10141	8.4
159.08076	3.4
159.11659	12.7
161.09645	5.1
161.13300	3.3
163.03896	3.4
163.11189	17.8
163.12576	2.1
165.12776	3.5
167.03392	13.2
167.08546	2.4
169.05005	8.7
169.10156	5.5
171.08069	2.0
171.11665	6.2
173.04446	6.5
173.05968	2.6
173.09636	3.0
173.11769	25.2
173.13252	4.1
175.11200	4.6
177.12753	6.5
179.03363	14.2
179.14307	2.3
180.66722	1.8
181.05032	2.0
181.10178	2.1
181.12238	4.2
183.11731	3.8
184.07332	2.9
185.04463	69.3
185.13254	3.1
187.11212	1.8
187.13332	3.3
187.14830	2.0
189.05402	1.6
189.09027	2.3
189.11217	7.0
189.12730	2.8
191.10672	6.2
193.04985	2.9
193.12311	5.6
195.13805	14.8
197.04448	29.8
197.09665	2.0
197.13333	3.0
203.03429	5.9
205.04942	3.4
209.04439	4.1
209.11690	11.6
211.05928	2.5
211.13240	3.9
213.12859	3.3
213.14883	5.3
215.10823	1.6
215.14342	4.6
217.05057	1.9
219.06554	1.6
219.13747	1.8
221.04431	12.4
223.05852	2.8
225.07509	2.4
226.99771	1.4
227.05469	2.3
227.12735	12.2
229.14301	2.2
231.06470	1.9
233.15390	4.2
235.06116	3.0
239.17975	3.2
247.13193	2.5
247.20592	3.2
249.11070	4.2
249.14824	3.1
251.05446	2.6
257.18976	7.4
261.14987	1.4
265.14404	1.5
267.15909	4.9
269.17520	7.9
273.15088	2.4
273.18417	2.3
275.05600	1.7
275.20056	64.3
283.15414	7.5
285.14484	2.2
285.17258	2.0
289.10709	1.6
289.14462	1.5
291.12283	8.6
291.15402	2.3
293.21133	16.5
299.14926	12.7
301.13907	2.8
303.12140	2.0
303.15903	3.3
305.13748	17.2
307.15332	1.6
317.13623	2.5
319.15463	8.7
321.16907	3.3
329.13898	1.9
339.18036	10.4
347.14963	2.0
353.16061	3.0
357.24194	2.5
361.16406	4.6
365.20932	1.9
367.22650	4.1
379.16782	1.9
381.20853	1.9
383.21649	3.2
385.23764	5.2
395.20947	2.1
399.21600	6.0
401.23141	4.2
403.24454	1.7
413.17480	4.6
419.24149	14.0
427.19199	3.8
437.24951	8.1
441.22305	3.9
442.28824	1.9
459.27679	20.6
467.18967	3.9
477.28571	35.1
487.19577	3.2
495.29364	4.7
509.20367	2.7
523.21826	4.4
603.29260	3.4
607.34808	1.9
621.32837	14.1
639.30103	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.1
55.01868	5.9
55.05275	1.5
55.05513	19.2
57.03441	6.9
57.07081	1.7
59.04993	1.6
65.03935	3.3
67.05506	76.0
69.03430	23.5
69.07076	18.1
70.77574	2.7
70.77913	1.4
71.01359	2.5
71.05000	28.5
72.36244	1.2
73.02930	1.3
79.05497	48.2
81.03423	60.7
81.07059	100.0
83.01318	1.6
83.04982	14.0
83.08624	13.3
85.02911	9.5
85.06537	7.7
87.04485	1.4
89.99902	1.1
91.05486	44.6
92.88726	1.3
93.07047	54.5
95.04980	10.7
95.08615	28.4
97.02890	15.2
97.06531	11.6
97.10162	6.4
99.04459	6.4
99.08097	3.3
105.07032	32.7
107.04963	9.2
107.08597	29.7
109.02886	21.1
109.06521	8.9
109.10159	11.9
111.04441	9.0
111.08058	5.5
115.05443	2.3
117.07014	14.9
117.92830	1.3
119.04928	1.5
119.08591	19.7
121.02821	1.9
121.06501	3.4
121.10159	17.1
123.04424	2.8
123.08071	3.3
123.11688	8.3
125.05994	1.3
125.09631	3.2
127.03922	20.0
128.06218	1.6
129.05405	1.4
129.07034	6.2
131.04897	3.0
131.08560	17.8
133.06471	3.9
133.10130	26.7
135.04314	1.2
135.08066	4.1
135.11705	11.3
137.06021	1.6
137.09605	2.3
139.03920	2.6
141.07034	2.6
143.08562	4.8
145.04921	1.6
145.06494	3.6
145.10124	12.9
147.04356	2.2
147.08075	3.7
147.11679	12.2
149.02298	1.7
149.05943	1.2
149.09612	5.4
149.13263	17.3
151.03918	2.9
151.11151	6.4
155.03403	6.1
155.08501	2.6
157.06450	1.8
157.10156	4.6
159.08076	2.3
159.11716	13.5
161.09668	2.4
161.13278	2.8
163.03873	1.9
163.11186	5.1
165.05367	1.2
165.12767	2.7
167.03380	7.5
169.04956	2.2
169.10117	2.1
169.12170	1.5
171.11662	4.7
173.04579	6.3
173.05902	2.1
173.09622	1.6
173.11795	2.7
173.13252	2.3
175.11253	2.6
177.12735	10.0
179.03418	8.5
181.05017	1.9
181.12248	3.1
183.06526	2.4
183.08064	1.3
183.11639	1.7
183.13783	2.1
185.04459	31.7
185.13300	2.7
187.11211	1.3
187.13297	7.4
189.05345	1.2
189.09042	1.3
191.14261	1.5
193.12202	2.2
195.13808	19.3
197.04474	13.1
197.09535	1.4
197.13284	1.7
199.14862	1.9
201.14885	4.2
203.03384	4.8
209.04497	1.8
209.11720	2.7
213.14842	4.8
219.06482	1.3
219.13712	1.6
221.04419	7.0
221.15359	1.8
223.05975	1.6
225.07518	1.5
227.12721	1.6
229.14322	2.1
232.29057	1.3
233.15364	1.7
235.13222	1.5
235.16902	2.6
237.65611	1.4
247.16957	1.2
247.20630	2.4
251.05415	1.8
257.15271	2.6
257.19064	3.9
263.19946	1.5
265.10760	1.7
265.21777	1.8
267.15955	3.7
269.17520	5.1
273.18369	1.3
275.16745	2.0
275.20053	23.0
281.13107	1.4
285.14645	2.3
291.12271	1.5
293.20984	2.3
303.15915	5.1
305.13794	4.8
317.13626	2.2
319.15302	3.3
321.16846	6.4
321.38412	1.5
335.14761	1.4
337.16388	1.4
339.18008	11.4
343.15353	2.2
347.14825	1.6
361.16388	3.4
379.21313	1.3
383.22116	1.3
395.20676	5.4
399.21658	3.7
417.22742	1.4
419.24036	3.8
423.27112	2.0
427.23676	1.7
437.29297	15.0
441.22726	3.3
451.30557	4.8
453.32080	1.6
463.30356	4.6
477.28561	2.6
495.32999	4.4
509.19702	1.6
523.22070	2.2
533.30371	1.7
545.30341	1.3
563.32129	1.4
589.33661	2.3
603.27600	2.2
607.34747	14.8
621.33051	1.8
639.37335	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03950	12.0
55.01874	9.7
55.05516	27.8
56.05821	1.7
57.03437	7.3
57.07072	3.0
62.48693	1.4
65.03938	6.5
67.05508	85.1
69.03085	2.3
69.03433	32.1
69.07072	28.4
69.15257	15.7
71.01347	3.8
71.05001	10.2
73.02905	2.5
73.91173	1.6
79.05499	66.3
79.05965	3.7
81.03423	69.3
81.07059	100.0
83.04979	15.5
83.08621	21.0
83.95791	1.5
85.02928	13.6
85.03422	2.8
85.06554	4.4
87.04476	2.4
91.05486	57.5
93.07046	67.0
95.04977	17.9
95.08609	37.2
97.02907	20.0
97.06554	13.1
97.10181	7.1
99.04469	10.9
99.08098	2.4
103.03973	2.2
103.05491	2.0
105.04517	4.2
105.07038	53.8
107.04970	13.8
107.08601	40.9
109.02886	34.8
109.06535	13.8
109.10153	24.2
111.04445	9.4
111.08079	11.6
115.05461	1.8
117.07027	23.8
119.08588	36.2
121.02843	2.4
121.06516	8.2
121.10158	24.3
123.04404	3.7
123.08099	8.6
123.11702	9.9
125.09639	7.4
127.03916	37.8
128.06187	3.0
129.06981	10.2
131.04918	4.1
131.08571	25.0
133.06512	5.0
133.10133	34.2
135.08087	8.9
135.11690	17.8
137.05989	1.9
137.09610	3.9
139.03928	4.1
139.11278	2.7
141.07011	2.8
141.40562	1.9
143.08575	7.3
145.04985	2.4
145.06505	6.3
145.10149	19.4
147.04379	1.8
147.08044	6.8
147.11691	17.5
149.02356	7.6
149.05946	1.8
149.09624	10.8
149.13261	20.0
149.52333	1.8
151.11172	2.8
153.09038	2.4
153.12822	2.8
155.03392	2.4
155.08580	3.4
157.10117	7.3
159.11664	18.3
161.05916	2.6
161.09645	2.6
161.13293	3.8
163.11200	11.9
165.12770	6.5
167.03384	17.7
169.10156	5.0
171.07964	1.9
171.11732	5.8
173.04498	10.4
173.09647	3.3
173.11858	2.2
173.13228	5.2
175.11134	3.4
177.12816	10.8
179.03398	4.8
179.14400	2.4
181.09984	2.2
181.12231	5.9
183.08105	2.4
183.11710	3.2
185.04463	92.6
185.13281	2.4
187.11160	4.4
187.13132	1.6
189.11186	2.3
189.12720	3.8
191.10730	3.7
191.14294	2.2
193.12251	3.5
195.11995	3.6
195.13809	43.9
197.04497	7.1
199.11194	2.6
201.16345	2.1
203.03368	2.5
209.04582	2.9
209.11769	4.8
213.14877	10.9
218.21613	1.9
219.13792	4.0
221.04428	3.8
223.06068	1.7
227.05537	4.1
227.12779	6.0
229.14328	2.8
235.13370	2.2
235.16997	7.2
239.18018	4.8
247.20483	3.2
251.05623	2.7
257.19012	5.8
261.14859	5.7
263.20160	2.9
265.10757	5.2
267.16122	3.6
269.17590	5.5
273.18494	3.2
275.16922	4.3
275.20062	61.0
277.14249	2.6
279.15927	2.2
283.15610	2.6
285.14868	6.0
286.46448	1.7
291.19409	2.6
293.17667	1.8
293.21121	6.4
303.15945	12.3
321.17056	17.8
323.64767	2.1
325.16699	2.3
332.15546	1.7
339.18024	26.9
339.22125	1.6
353.15771	2.8
383.22382	4.4
399.21500	4.0
401.23129	5.2
419.24255	11.6
423.27414	3.1
427.19391	2.2
437.25302	7.7
477.28403	4.5
481.16968	2.1
495.29355	2.5
548.05646	1.9
621.33124	5.0
639.33765	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	639.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03947	8.7
55.01882	7.1
55.05276	1.7
55.05519	29.0
57.03445	8.5
57.07070	1.9
59.04993	4.0
64.66724	1.3
65.03938	4.9
65.97416	1.1
67.05514	76.3
69.03443	23.9
69.07078	21.6
69.22990	10.5
71.01363	3.3
71.04185	1.4
71.05006	34.3
73.02901	2.4
79.05503	49.1
80.05836	1.1
81.03430	56.9
81.07069	100.0
83.01302	1.2
83.04989	16.9
83.08630	22.4
85.02908	9.4
85.06542	9.2
87.04477	1.3
91.04901	1.8
91.05492	47.1
93.07056	53.9
95.04981	11.9
95.08062	2.3
95.08621	23.6
97.02905	19.8
97.06547	11.5
97.10184	17.2
98.20785	2.0
99.04489	7.2
99.08086	3.7
101.02354	1.4
103.03951	1.5
103.05542	1.3
105.04517	1.9
105.07046	24.7
107.04971	8.1
107.08611	39.5
109.02903	23.6
109.06560	5.9
109.10178	16.7
111.04465	9.1
111.08102	7.0
111.11825	1.2
113.09667	2.0
115.05444	1.4
117.07034	13.4
119.04995	2.3
119.08578	14.7
121.06519	6.2
121.10166	15.4
123.04431	3.4
123.08054	2.4
123.11740	17.6
125.09647	14.7
127.03932	15.1
128.06194	1.5
129.05478	2.1
129.07030	7.4
131.05005	1.2
131.08577	16.3
133.06508	4.3
133.10144	26.0
135.04437	2.3
135.08060	4.2
135.11736	8.6
137.06024	1.4
137.09622	2.2
139.03903	3.3
139.11186	1.3
141.05577	1.4
143.03441	3.0
143.08563	3.5
145.06520	3.7
145.10162	7.7
147.04457	1.5
147.08038	2.3
147.11732	10.8
149.02380	1.4
149.05981	1.6
149.09682	6.6
149.13301	15.9
151.03915	2.1
151.07614	1.3
151.11220	6.3
153.09160	3.5
153.12720	1.6
155.03442	1.4
155.08556	2.2
157.04955	1.9
157.06445	1.3
157.10109	4.6
159.08022	3.2
159.11707	12.3
161.06007	1.9
161.09595	2.5
161.13313	1.8
163.04034	1.2
163.11209	5.0
165.05429	2.2
165.12755	2.5
167.03430	4.7
169.04985	1.9
169.10150	2.4
169.12230	3.4
171.06590	1.4
171.08081	1.2
171.11693	3.2
173.04538	8.9
173.05928	2.5
173.09622	2.4
173.13248	2.4
175.07635	1.4
175.11209	3.5
177.12747	7.1
179.03400	5.2
179.14352	1.7
182.89441	1.3
183.11728	1.4
183.13818	3.2
185.04483	19.4
185.09517	1.3
187.13321	30.9
187.14969	2.8
189.11263	12.3
191.10677	2.7
193.12257	3.0
195.13823	10.3
197.04485	16.2
197.09561	1.3
197.13239	1.2
201.12695	1.3
201.14880	3.7
203.14401	1.6
209.11620	1.7
211.05981	1.4
211.13237	1.7
213.12787	2.9
213.14696	2.2
221.04468	8.9
225.14900	1.8
227.12791	5.0
229.14226	1.4
239.14316	1.2
239.18007	1.4
247.13380	1.7
249.14911	1.7
253.17931	2.5
257.15366	1.3
267.16104	5.6
269.17514	11.8
273.18683	1.8
275.05576	2.3
275.16669	2.7
275.20065	16.3
279.16006	1.6
283.15466	4.0
283.19070	3.6
285.14862	2.0
291.12320	24.6
291.19186	1.5
294.44846	1.2
295.11835	1.5
297.13361	1.9
297.16867	1.2
299.18527	2.2
303.15930	3.6
313.16461	4.6
315.14404	5.0
321.17014	3.2
339.18057	4.4
377.19702	3.4
383.22211	2.5
395.20773	7.7
399.21686	2.0
401.23087	2.0
417.22940	2.7
419.24121	2.0
423.27048	1.6
427.23926	1.4
437.29028	22.3
441.22733	2.1
451.30389	5.1
453.32098	2.1
459.27585	1.7
463.30756	7.3
477.28317	5.7
479.94925	1.2
495.33569	6.8
545.31409	2.1
563.32013	1.4
571.32471	1.7
589.33557	4.0
589.74475	1.4
607.34741	21.6
621.32916	5.4
631.72083	1.3
639.37305	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.0
55.01880	10.3
55.05518	30.6
55.58752	1.6
57.03444	8.9
59.04995	2.2
65.03950	4.4
67.05513	80.4
68.58519	1.7
69.03087	2.3
69.03439	35.8
69.07069	20.7
69.56252	12.3
71.01358	6.7
71.04997	24.2
73.02908	2.6
79.05501	59.0
81.03428	90.5
81.07067	100.0
81.13362	1.6
83.01344	2.4
83.04990	26.2
83.08623	20.4
85.02924	12.0
85.06553	9.0
91.05489	49.0
93.07059	72.9
93.07643	4.3
95.04965	15.0
95.08617	28.6
97.02895	32.1
97.06538	14.1
97.10160	8.7
99.04459	11.8
99.08070	5.3
101.02400	3.0
103.03933	2.0
105.04517	3.5
105.07053	33.0
107.04960	18.9
107.08609	37.5
109.02890	27.2
109.06522	8.7
109.10168	11.9
111.04478	13.8
111.08093	6.6
113.06010	2.0
115.05461	2.4
117.07053	19.3
119.08595	23.5
121.06504	8.0
121.10173	20.8
123.04411	4.6
123.08070	8.4
123.11691	7.6
125.06039	2.4
125.09648	6.0
127.03931	18.1
128.06203	1.7
128.90909	1.9
129.05489	3.3
129.07021	4.9
131.04944	4.2
131.08583	18.8
133.06525	5.3
133.10146	19.1
135.04433	2.4
135.08073	7.8
135.11699	17.9
137.05988	2.2
137.09608	4.4
139.11150	2.7
141.07062	2.2
143.08588	6.2
145.06532	4.3
145.10170	15.1
147.08076	6.2
147.11705	10.0
149.05939	1.9
149.09641	7.2
149.13290	18.1
149.48738	1.9
151.11229	4.9
153.12764	11.2
155.08568	5.9
157.10149	5.2
159.08064	2.5
159.11694	10.8
161.06056	2.1
161.09613	5.3
161.13295	2.5
163.11203	20.0
165.09158	1.8
165.12740	2.3
169.10124	3.2
171.08072	4.0
171.11710	3.9
173.04523	21.3
173.06009	3.6
173.09648	5.7
175.11258	3.1
177.12753	7.8
181.12238	6.2
183.13834	2.0
185.13269	1.9
187.13281	2.3
189.09180	2.8
189.11253	3.3
191.10741	10.8
193.12198	3.9
195.13892	14.4
201.12782	2.4
207.13734	3.1
209.11746	28.5
211.13255	3.1
219.13832	1.8
225.11137	2.8
227.12785	21.9
229.14354	2.0
233.15489	4.0
235.13304	2.1
249.14987	2.1
253.17915	2.9
255.15915	2.9
265.14297	4.7
267.15906	4.1
269.14868	2.6
269.17545	24.7
275.16440	3.5
275.19904	1.9
283.15479	16.2
283.18820	3.0
285.14694	2.8
301.16785	2.6
303.16010	3.6
321.17169	2.5
339.17929	5.5
353.15958	7.1
377.19443	3.8
385.23880	2.9
395.20657	5.0
409.18353	4.2
413.21777	3.8
423.27118	2.6
427.19550	5.8
431.72336	1.8
437.29138	11.1
449.28772	2.7
451.30698	4.1
453.28436	2.3
459.27460	16.8
463.30991	2.9
477.28510	38.2
495.28748	9.3
561.31067	2.9
585.30505	4.4
603.32098	10.1
607.34607	7.5
621.32739	35.3
639.33673	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	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.3
53.24324	2.5
55.01886	16.1
55.05273	3.7
55.05519	51.4
57.03446	13.6
60.93392	2.6
61.02917	2.5
65.03942	3.9
67.05515	89.7
69.03442	27.5
69.07072	20.4
69.25349	20.3
71.01358	5.9
71.04997	21.1
76.04410	2.4
79.05505	70.6
81.03433	70.2
81.07068	100.0
83.04997	25.3
83.08625	34.9
85.02916	20.3
85.06548	7.8
91.05488	56.5
93.07055	66.3
95.04979	14.9
95.08608	31.9
97.02897	27.0
97.06548	18.2
97.10172	30.1
99.04463	10.7
103.05489	12.4
105.07047	39.9
107.04984	16.9
107.08616	45.5
109.02898	19.9
109.06568	13.5
109.10178	19.8
111.04438	12.2
111.08106	8.9
115.05460	8.5
117.07041	54.9
119.04926	5.0
119.08612	28.1
121.06502	8.8
121.10155	20.1
123.04469	4.4
123.08072	8.4
123.11701	5.1
125.09648	30.7
127.03936	18.3
128.06223	3.7
129.05469	5.4
129.07033	23.1
131.04974	4.9
131.08592	38.8
133.06505	6.4
133.10147	20.0
133.74232	2.5
135.04414	3.2
135.08072	9.0
135.11732	14.7
137.05931	3.0
137.09657	4.1
141.07014	9.0
143.08597	12.0
145.06508	11.4
145.10123	20.2
147.04454	3.3
147.08072	7.5
147.11697	11.0
149.05911	2.8
149.09628	6.7
149.13245	14.6
151.11229	3.6
153.09090	5.1
153.12758	10.0
155.08615	15.6
157.06546	5.2
157.10115	7.8
159.08075	6.8
159.11714	11.6
161.09630	7.4
163.11223	17.1
167.08575	4.4
169.10130	6.9
171.08153	3.6
171.10289	3.8
171.11682	6.1
173.04446	17.9
173.09656	7.3
173.13266	3.1
175.11223	3.7
177.12581	5.4
181.10170	3.7
181.12283	6.8
183.11591	3.5
185.09654	2.7
187.11151	3.0
187.14883	7.4
189.11230	12.1
189.12743	3.8
191.10689	11.4
193.12231	3.5
195.11830	4.1
195.13820	13.1
197.13309	11.6
199.11349	3.8
209.11757	22.9
213.12875	5.0
213.14900	4.6
215.12486	4.8
215.14337	37.2
227.12772	36.5
229.14273	4.1
231.13747	3.6
233.15372	4.5
241.11987	2.7
245.13983	3.4
249.15009	3.4
257.15359	2.8
267.16040	4.8
269.17499	18.0
271.16946	3.3
283.15396	15.1
283.18466	5.1
298.87863	3.1
303.15820	3.2
335.14774	4.2
339.17899	5.3
349.21640	7.6
353.15784	5.8
367.22894	20.6
377.19482	4.5
385.23511	12.0
395.20612	6.5
403.24680	5.3
427.19666	4.2
437.28830	7.7
441.26401	46.6
459.27515	92.3
477.28558	38.2
495.28906	3.5
585.30328	4.1
603.31592	9.6
607.34406	6.9
621.32697	26.7
639.20740	8.3
639.33875	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03946	7.7
55.01870	4.8
55.05513	18.5
56.30619	0.9
57.03444	8.3
57.07078	2.7
59.05011	1.5
64.93513	0.8
65.03949	3.7
67.05506	76.2
69.03428	18.3
69.03772	1.4
69.07071	17.1
69.84721	1.4
69.85133	3.4
71.01358	1.1
71.03836	1.8
71.04233	2.3
71.04994	37.5
73.02924	1.3
74.04244	0.8
74.86561	0.8
77.03943	1.2
79.05495	40.1
81.02924	1.4
81.03028	0.6
81.03421	48.1
81.07059	100.0
83.04983	13.2
83.08624	12.2
85.02895	8.2
85.06548	9.5
87.10207	0.9
91.05485	41.7
93.07049	49.0
95.04977	9.3
95.08611	23.3
97.02898	10.4
97.06539	12.7
97.10172	2.7
99.04452	6.4
99.08116	3.8
105.04533	1.8
105.07034	21.5
107.04953	5.1
107.08598	27.3
107.09296	1.5
109.02883	15.3
109.03593	1.2
109.06535	5.2
109.10162	9.3
111.04449	6.8
111.08107	3.9
113.05998	1.4
113.09653	1.3
117.07011	10.4
117.48090	0.8
119.08585	9.7
121.06518	4.1
121.10150	14.1
123.04472	1.8
123.08068	2.0
123.11709	12.9
125.09692	2.2
127.03920	8.2
127.07594	1.0
129.05537	1.3
129.07034	4.5
131.04903	0.9
131.08571	14.1
131.09380	1.0
133.06528	1.9
133.10136	19.7
133.11069	1.1
135.04485	2.1
135.08035	1.5
135.11696	7.8
137.06015	1.0
139.07680	0.9
143.08595	2.0
145.06549	2.9
145.10205	3.1
147.08087	1.2
147.11694	8.6
149.06024	1.5
149.09654	2.4
149.13255	19.7
149.14365	1.4
151.11194	6.8
155.08536	1.4
157.10167	3.9
159.08151	1.1
159.11708	13.5
161.06020	1.2
161.13347	1.8
163.11261	2.4
165.12785	2.3
169.10222	1.0
169.12335	1.3
171.06618	2.5
171.08070	1.6
171.11725	1.1
173.04465	9.5
173.05850	1.1
173.11803	1.5
175.11238	2.4
177.12770	7.2
179.14384	1.4
183.06618	2.0
183.13843	4.5
185.13310	1.2
187.13290	9.7
193.12311	2.8
195.13824	13.2
195.15491	1.1
197.04524	1.4
201.14839	5.2
209.11746	1.0
213.13161	0.9
213.14954	3.6
225.14932	1.7
227.12807	1.5
229.14394	1.6
233.15402	1.2
243.16028	1.7
249.15082	1.8
253.18167	1.6
257.15234	1.5
257.17645	3.1
261.14923	1.4
263.16745	1.1
267.16006	4.2
269.17526	9.6
275.16537	1.9
275.19998	1.4
283.19025	4.2
285.14932	2.0
287.16495	1.2
297.17340	0.9
299.18768	2.2
301.20383	1.2
302.30688	1.4
303.15933	2.8
321.17181	2.7
323.18872	1.2
327.18311	1.3
339.17969	6.9
377.19812	3.8
395.20535	7.9
397.67706	1.0
419.28146	1.6
421.29645	2.6
427.23486	2.6
435.31097	1.2
437.28992	28.8
451.30701	9.1
453.32336	3.1
453.44836	0.9
453.68951	0.9
461.28717	1.0
463.30539	7.4
477.28949	1.9
479.29932	1.1
495.33276	9.3
545.31268	2.3
563.32159	1.9
571.32837	1.7
589.33917	3.8
603.34937	1.0
607.34723	24.0
621.34888	2.6
630.09827	0.9
639.37494	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	639.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.3
54.72086	1.1
54.96754	1.0
55.01862	4.3
55.05268	1.9
55.05514	22.7
57.03448	7.4
57.07076	3.3
59.05003	1.9
61.78435	1.1
62.98706	1.1
65.03933	4.2
67.05511	81.5
67.28274	1.1
68.45409	0.9
69.03087	1.7
69.03438	24.3
69.07072	18.2
71.03838	1.3
71.04175	1.3
71.05000	34.2
73.02928	2.6
77.03918	1.8
79.05502	46.5
81.03427	57.2
81.07066	100.0
83.01311	1.2
83.04538	1.8
83.04991	14.4
83.08631	15.9
85.02911	10.7
85.06555	8.0
87.04462	1.7
91.05489	45.7
93.07056	51.4
95.04982	12.9
95.08069	1.9
95.08622	29.7
97.02902	14.2
97.06527	13.3
97.10158	4.6
99.04455	6.8
99.08086	3.7
103.05473	1.5
105.04520	1.4
105.07041	30.4
107.04968	8.3
107.08607	29.0
109.02887	21.2
109.06546	6.8
109.07158	1.2
109.10171	19.7
111.04428	7.9
111.08077	4.9
113.06003	1.6
115.05452	2.0
116.12282	1.2
117.07040	14.1
119.04974	1.9
119.07788	1.8
119.08598	17.7
121.02853	1.7
121.06502	5.0
121.10150	17.7
123.04420	4.3
123.08067	3.7
123.11703	10.3
125.05959	2.3
125.09628	4.0
127.03933	15.3
128.06242	1.6
129.06978	5.3
130.07726	1.3
131.04939	2.3
131.08588	16.9
133.02859	1.7
133.06456	3.5
133.10133	27.1
135.04404	1.5
135.08055	5.2
135.11688	11.2
137.05983	2.3
137.09637	1.8
139.03911	1.8
139.11143	1.5
141.06978	2.5
143.08574	5.3
145.06511	3.5
145.10129	9.0
147.04428	2.5
147.07983	1.3
147.11716	10.2
149.02444	1.9
149.09621	4.9
149.13264	17.5
151.03934	4.3
151.11205	8.0
155.03433	8.7
155.08557	3.0
157.04974	1.5
157.06487	1.2
157.10173	6.4
159.08075	2.0
159.11703	15.5
159.12920	2.1
161.05898	1.8
161.09541	1.5
161.13234	2.7
163.03899	1.5
163.11197	3.7
165.05507	1.2
165.12747	4.4
167.03372	4.4
169.04950	5.8
169.10191	1.7
169.12254	1.7
171.08006	1.6
171.11697	2.1
173.04468	6.2
173.05922	2.1
173.09544	1.8
173.11732	6.7
173.13196	2.8
175.11189	3.4
177.05513	1.6
177.12761	8.8
179.03421	14.2
179.14349	2.0
181.04976	2.6
181.12306	1.5
183.06505	1.7
183.13803	2.8
185.04471	16.0
185.13210	3.2
187.03847	1.4
187.13297	10.8
189.05476	1.5
189.11270	1.5
193.04909	2.6
193.12241	4.5
195.13820	15.5
197.04480	29.6
201.05446	1.4
201.14793	2.5
203.03421	4.7
205.04976	2.4
209.04474	2.3
209.11705	1.4
211.13364	2.0
213.12973	1.6
213.14883	4.1
221.04465	13.4
223.06078	1.3
229.14308	1.8
231.06506	1.5
233.15392	2.4
235.17065	2.0
239.14320	1.7
249.14951	1.7
251.16501	1.4
257.17371	1.3
259.13351	2.0
267.15982	2.0
269.17606	7.0
273.14862	2.1
273.18408	1.3
275.17102	2.2
275.20071	13.2
277.10870	1.5
277.14108	1.8
279.16367	1.5
281.17664	1.4
283.19058	2.5
285.14716	1.9
287.16342	1.2
289.10760	1.4
291.12482	1.7
291.15735	1.3
293.21146	1.2
299.14948	3.3
299.18219	1.5
303.15921	4.4
305.13901	8.1
311.18869	1.1
315.81985	1.3
317.13831	2.0
319.15448	7.7
321.16995	4.8
339.17960	9.2
343.15384	2.8
361.16458	5.9
367.17508	1.2
377.19547	3.6
383.22232	1.7
395.20520	7.6
399.21783	6.8
417.22516	2.4
419.24051	2.5
423.21350	2.7
427.17603	2.4
427.23209	1.8
435.31302	1.8
437.29199	14.4
441.22870	6.2
451.30411	5.2
463.30615	5.6
469.18985	1.7
487.19577	2.7
495.33612	6.7
507.23898	1.8
509.19580	1.6
523.21771	5.0
525.25201	1.3
567.26068	3.0
571.32245	1.8
585.27020	1.9
589.33380	3.0
596.35828	1.4
603.28113	2.4
607.34698	18.4
614.49695	1.4
621.33521	1.6
639.37427	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01875	5.1
55.05517	22.0
57.03443	7.9
57.07075	1.5
61.02929	1.3
65.03945	4.0
67.05511	73.4
69.03438	18.6
69.07073	17.0
69.85316	4.3
71.01364	1.5
71.03871	1.5
71.04206	1.6
71.05001	37.4
73.02925	1.3
79.05502	47.0
81.02937	1.6
81.03048	0.9
81.03427	45.0
81.07065	100.0
83.04987	12.7
83.08627	12.8
85.02920	6.6
85.06552	7.7
87.37599	0.9
91.04914	1.4
91.05042	0.8
91.05490	42.8
93.07057	46.9
95.04984	11.3
95.08620	23.2
97.02905	11.5
97.06538	13.8
97.10171	2.1
99.04471	5.1
99.08120	2.9
103.05469	1.8
105.04553	1.6
105.07042	22.6
105.48904	0.8
107.04968	6.7
107.08605	27.8
107.09303	1.9
109.02894	15.5
109.06554	5.4
109.10165	8.9
111.04450	6.7
111.08103	6.8
115.05470	1.0
117.07044	10.3
119.04913	0.9
119.06126	1.1
119.08604	8.6
121.06539	3.7
121.10152	13.9
121.23090	0.9
123.04456	1.5
123.08129	2.9
123.11717	12.3
125.06016	1.3
125.09657	1.4
127.03906	5.9
127.07599	1.0
129.05501	1.9
129.06992	4.7
131.04951	2.1
131.08583	15.4
133.06534	2.5
133.10149	20.7
133.11093	1.6
135.04474	1.7
135.08086	3.3
135.11702	8.4
137.05998	1.5
137.09679	1.0
139.11188	1.3
143.08612	2.6
145.06564	3.3
145.10176	3.7
147.08073	2.9
147.11707	9.4
149.06013	1.2
149.09642	1.9
149.13275	16.9
150.13646	1.1
151.07562	1.2
151.11203	6.4
153.12762	0.9
155.08609	1.1
157.06528	1.1
157.10190	3.1
159.08058	1.1
159.11703	12.3
161.06004	1.1
161.13297	1.9
163.11189	1.7
165.12799	3.1
169.10124	1.6
169.12320	1.5
171.06633	2.8
171.08049	1.3
171.11755	1.4
173.04501	5.9
173.13222	1.6
175.11279	3.0
177.12753	7.2
179.14412	2.4
183.06593	1.4
183.13872	4.5
185.04541	2.1
185.09731	1.1
187.13324	7.8
189.09229	0.9
193.10617	0.9
193.12244	4.1
195.13840	12.7
197.13316	1.0
201.14876	4.7
209.11752	1.2
212.60962	0.9
213.14926	3.6
225.14978	2.2
229.14297	1.1
243.16049	2.5
247.16971	1.3
253.18092	2.9
257.15225	1.4
257.17682	3.8
259.16962	1.0
261.14883	1.0
263.16745	1.2
267.16080	5.0
269.17535	11.1
273.14999	1.3
275.16556	1.3
275.20160	1.1
283.19186	3.3
285.14725	1.2
297.17087	1.8
299.18744	2.5
301.20248	1.7
302.30670	2.6
303.16061	3.5
321.17053	3.3
339.18057	7.6
359.18713	1.1
377.19699	3.1
379.21185	1.0
395.20670	6.2
421.29474	2.5
427.23511	2.2
435.31284	1.7
437.29050	31.1
445.29642	1.4
451.30542	6.5
453.32367	2.6
463.30682	11.9
477.28516	1.4
495.33408	9.9
545.31287	2.9
563.32196	2.5
571.32904	1.8
589.34058	4.0
595.35004	1.3
607.34766	25.2
619.56866	1.0
621.36169	3.8
639.37476	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.3
81.07021	0.6
81.36348	0.6
86.57295	0.5
93.07046	0.6
98.21503	2.0
109.02647	1.3
179.93932	0.5
216.08685	0.6
224.68147	0.6
229.66727	0.8
242.70564	0.5
245.37027	0.5
475.28284	1.8
489.29990	1.7
533.32727	1.8
547.34149	3.1
581.36017	13.7
621.39246	1.0
639.40216	100.0
640.40808	3.1
663.14685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74039	0.3
55.05519	2.7
56.05030	0.3
57.07080	0.8
58.06609	6.9
58.19970	0.3
60.73855	0.3
63.79153	0.3
67.05521	1.1
69.07075	1.2
70.05755	0.3
70.06601	0.6
70.64418	0.7
70.64748	0.6
72.08163	11.7
73.06560	2.3
79.05505	1.5
81.03425	0.4
81.07054	1.3
81.86204	0.3
83.04990	1.0
83.08644	0.5
84.08127	0.4
86.09717	21.2
91.05485	1.6
93.07061	1.1
95.04999	0.4
95.08627	0.9
98.06060	0.7
100.11268	100.0
101.06038	2.1
101.11593	0.4
105.07038	1.3
107.05003	0.5
107.08630	0.8
109.10227	0.4
117.07014	0.7
119.08613	0.9
121.10181	0.4
123.08072	0.3
126.12778	0.4
128.10777	0.4
131.08578	0.6
133.10126	0.7
135.11790	0.4
137.09596	0.4
140.14380	3.4
145.10199	0.7
146.11794	2.9
147.07980	0.5
149.09622	0.4
154.12334	1.7
154.15886	0.5
157.10251	0.4
159.11781	0.3
169.15999	0.3
172.13365	3.0
182.11661	0.4
187.11342	0.3
200.16516	1.5
211.14510	0.5
214.14352	0.8
228.15988	7.4
245.18727	0.5
273.18546	0.7
275.20166	1.0
282.44296	0.3
285.21747	5.1
291.19644	0.8
299.23315	7.2
313.21298	0.5
327.22815	12.2
367.26221	0.4
395.25565	1.3
412.31754	0.7
427.27979	0.5
440.31277	2.5
458.32364	6.0
484.33841	0.9
512.33472	0.7
526.34967	0.9
547.33746	0.8
563.35242	0.5
579.26599	0.4
581.36084	1.3
607.25482	0.6
611.43842	32.4
612.43518	0.5
621.39832	1.5
639.41168	31.0
640.41217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01868	5.8
55.05315	2.2
55.05514	24.1
57.03429	13.0
57.07076	45.7
65.03934	3.8
67.05509	55.7
69.07072	31.0
69.45420	18.2
71.05015	3.2
71.08297	3.0
71.08640	33.6
75.10149	2.3
78.63634	2.5
79.05499	40.8
81.03397	6.5
81.07058	67.7
83.04980	8.8
83.08614	24.8
85.06531	2.8
85.10171	19.7
89.06035	8.0
91.05483	30.2
93.07040	38.8
95.04969	5.9
95.08614	42.2
96.15427	2.6
97.06521	6.9
97.10155	9.6
98.41559	3.2
99.08080	3.3
101.07584	2.4
101.30348	2.6
105.07041	18.2
107.04945	5.6
107.08582	24.3
109.06509	4.3
109.10142	16.3
111.08042	4.2
117.07007	13.8
119.08594	13.9
121.06506	5.2
121.10133	12.2
123.11710	8.3
129.06940	2.9
131.08546	13.0
133.08606	3.8
133.10149	13.3
135.11681	8.5
137.09502	2.7
145.10117	9.5
147.11659	6.1
149.09631	5.3
149.13237	8.9
159.11696	9.4
163.11198	7.6
173.13326	4.2
177.12796	4.2
195.13840	5.0
202.56148	3.0
239.23672	2.9
255.15871	14.8
269.17465	17.0
275.20053	30.6
311.25793	8.5
313.27365	70.0
349.23691	21.2
351.25275	3.0
395.72018	2.6
465.57333	2.6
493.38559	17.5
505.38901	31.3
507.40445	100.0
587.46466	16.2
605.47388	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	641.1135
Annotation	Quercetin 3-(2''-caffeylglucuronide)
Peak:m/z	Relative Intensity
53.03942	0.4
55.01862	0.3
57.03431	0.4
63.02376	0.7
65.03932	0.2
68.99795	0.8
69.03416	0.3
70.91644	0.5
71.01353	3.2
72.80646	0.2
73.02935	1.0
79.05504	1.3
81.03416	0.3
85.02911	4.8
89.03923	10.1
89.19107	0.2
91.05473	0.5
93.03407	0.3
95.01330	0.6
95.04984	0.6
95.23793	0.2
97.02888	0.8
101.02414	0.3
103.03975	0.2
103.05473	0.3
107.04958	2.6
109.02870	0.6
110.01832	0.3
110.03674	0.5
111.00796	0.7
113.02368	2.3
115.05403	0.3
117.03387	12.9
119.04939	0.4
121.02879	0.8
123.04413	0.4
127.05498	0.3
129.06995	0.6
130.04153	0.2
131.03395	0.9
131.04919	1.1
133.06480	0.5
135.04424	21.4
137.02345	2.9
141.01801	1.3
141.06998	0.4
143.04955	0.5
144.05730	0.3
145.02852	15.0
145.06558	0.3
146.03551	0.3
147.04411	3.1
148.05208	3.1
149.02310	0.5
149.05942	0.7
150.03146	0.3
153.01820	2.7
155.04878	0.9
157.06509	0.9
159.02884	1.0
159.04410	0.6
161.06017	1.0
163.03909	96.8
164.04242	0.4
165.01857	1.3
171.04430	0.5
172.05254	0.6
173.06000	1.4
174.03162	0.2
175.03922	3.6
175.07607	0.3
176.04701	1.2
177.05461	1.2
181.04974	1.3
183.02882	0.7
183.04439	1.2
185.05972	1.0
186.05591	0.3
187.03928	0.9
189.05515	1.3
190.06270	1.0
191.03418	2.6
193.05000	1.3
195.04407	0.3
199.03896	0.7
200.04709	2.1
201.05466	3.2
202.02687	1.2
203.03426	0.3
203.07043	0.5
205.05005	1.3
207.02776	0.3
211.03783	0.5
213.05557	1.1
215.03418	0.4
217.05049	1.5
218.05739	1.9
219.02921	0.3
219.06483	1.3
228.04208	0.5
229.04971	5.7
231.06534	1.2
239.03479	0.7
241.04985	0.6
246.05252	21.1
247.06013	2.5
257.04465	5.6
259.06036	2.9
274.04721	0.9
275.05542	2.9
277.04187	0.4
277.07065	2.3
285.03964	6.1
303.04999	100.0
304.05362	0.6
321.06088	3.2
326.30579	0.2
339.07147	11.3
413.44745	0.2
461.07706	0.3
479.08282	2.2
595.50452	0.2
626.00836	0.2
627.98230	0.3
643.98889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.81683	0.2
55.01860	0.3
56.53205	0.2
57.03436	0.6
63.02369	0.5
64.71796	0.2
65.67823	0.2
67.01860	0.2
67.05511	0.4
68.99794	0.6
69.03437	0.3
69.37284	1.7
71.01353	1.6
73.02922	1.4
77.78633	0.2
79.05492	1.0
81.03442	0.3
81.07076	0.3
85.02428	0.4
85.02907	4.6
85.16867	0.2
86.03304	0.2
86.09703	0.3
89.03918	6.0
91.00916	0.2
91.05448	0.3
93.03385	0.2
95.01323	0.7
95.04936	0.4
97.02890	1.0
103.03912	0.3
105.07009	0.2
107.04958	1.6
109.02913	0.4
111.00798	0.7
113.02359	1.9
115.05522	0.2
117.03387	8.4
119.04929	0.3
121.02882	0.7
123.04420	0.4
131.03413	1.1
131.04915	0.4
135.04422	12.1
137.02336	2.6
137.03334	0.4
141.01826	1.0
145.02852	12.2
145.06516	0.3
147.04413	1.8
148.05167	0.9
149.02298	0.3
149.05995	0.9
152.09573	0.2
153.01831	2.7
155.04915	0.4
159.02980	1.0
159.04176	0.3
161.05974	0.9
163.03912	44.8
165.01810	1.7
166.02615	0.3
172.05196	0.4
173.05977	0.8
175.03893	1.2
176.04683	0.7
177.05475	10.5
181.04918	0.7
183.02855	0.7
183.04428	0.6
185.06001	0.5
186.05505	0.4
189.05426	0.6
190.06291	0.4
191.03418	0.9
193.05005	0.2
195.02982	0.3
200.04649	0.5
201.05434	1.8
202.02640	0.7
203.03506	0.3
205.04976	0.3
211.03973	0.4
213.05400	0.5
213.98289	0.2
217.04915	0.5
218.05757	0.8
219.02942	0.2
219.06487	0.6
229.04965	4.2
231.06578	0.6
239.03497	0.3
246.05238	8.5
247.06021	1.9
257.04501	3.5
259.06039	1.0
274.04724	0.6
275.05563	1.4
277.07034	0.8
285.03946	3.1
302.04050	0.2
303.04999	100.0
304.05377	1.0
319.04535	0.4
321.05969	0.8
325.46799	0.2
339.07098	3.6
339.10809	0.8
421.24960	0.2
479.08276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1347
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.62082	0.1
53.71653	0.1
55.01889	0.2
57.03424	0.5
65.03952	0.2
67.01856	0.2
68.99797	0.4
69.03452	0.7
70.06579	0.3
71.01364	1.0
71.52288	0.2
73.02917	2.0
81.03403	0.3
83.01310	0.2
83.13499	0.2
85.02910	6.0
92.90137	0.2
93.03431	0.2
94.78219	0.1
95.01315	0.6
95.04977	0.2
97.02887	0.6
99.00800	0.4
101.02373	0.4
103.03936	0.4
105.50632	0.1
109.02899	0.5
111.00828	0.7
113.02374	2.1
121.02891	0.8
123.04446	0.4
127.03889	0.6
131.03412	0.9
137.02367	2.3
137.03432	0.3
139.03882	0.4
141.01848	1.2
142.17072	0.1
145.04945	0.5
145.06526	0.2
147.04411	0.2
149.02347	0.5
153.01830	2.7
159.02888	0.9
161.05981	0.2
163.03932	0.4
165.01863	1.4
166.02589	0.3
172.26027	0.1
173.05928	0.3
183.02910	0.7
183.04398	0.3
187.03938	0.2
195.02803	0.2
201.05443	1.2
205.05035	0.2
211.87128	0.1
219.06645	0.2
229.04974	4.0
247.06032	0.6
257.04471	2.5
274.04825	0.7
275.05542	0.4
285.03979	1.2
303.05005	100.0
304.05362	0.8
327.04855	0.2
345.06143	0.2
381.44852	0.2
461.07104	0.2
465.10321	9.6
479.08136	0.3
641.13257	0.2
641.29816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1357
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03943	0.2
55.01878	0.2
57.03447	0.5
61.02916	0.4
61.30091	0.1
61.39974	0.1
67.01868	0.1
68.99798	0.4
69.03439	1.1
70.76439	0.3
71.01360	0.8
71.04967	0.2
73.02920	1.4
81.03413	0.5
85.02914	7.1
87.04392	0.1
89.18689	0.1
91.03951	0.3
93.03400	0.2
95.01350	1.0
95.04958	0.2
97.02905	1.1
97.49780	0.1
99.00809	0.4
99.04434	0.2
101.02381	0.3
103.03933	0.2
109.02897	0.8
111.00817	0.9
113.02377	1.5
121.02868	0.8
123.04422	0.2
127.03934	1.2
131.03441	0.6
137.02354	2.6
141.01849	2.4
143.55266	0.1
145.04980	1.4
149.02336	0.4
153.01836	2.9
153.03015	0.2
157.06499	0.1
159.02917	0.8
159.04190	0.1
161.06042	0.2
163.03909	0.4
163.05986	0.2
165.01854	1.9
166.02579	0.2
168.21016	0.1
173.05969	0.2
177.05626	0.1
183.03012	0.8
183.04407	0.2
187.03938	0.3
191.03452	0.1
193.05031	0.1
195.02893	0.2
201.05484	1.3
205.04918	0.2
212.04631	0.1
213.05519	0.2
219.03076	0.2
219.06587	0.3
228.04178	0.2
229.05002	3.6
232.03841	0.1
245.04695	0.1
247.06041	0.9
257.04456	2.7
274.04779	1.0
275.05463	0.3
285.03992	1.3
303.05014	100.0
304.05338	1.1
323.61243	0.1
340.31110	0.1
345.06143	0.2
465.10349	14.3
466.10516	0.2
479.08252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05515	0.4
60.53431	0.2
67.05505	0.5
69.07076	0.4
69.51910	1.2
78.22639	0.2
79.05501	0.6
81.03421	0.2
81.07051	0.6
83.08607	0.2
91.05491	0.6
93.07050	0.6
94.06585	0.3
95.08622	0.4
97.06548	0.4
105.07055	0.6
107.04987	0.2
107.08595	0.4
117.07060	0.3
119.08577	0.3
120.08139	0.3
121.10147	0.3
124.07555	0.2
131.08673	0.2
133.10143	0.3
134.05980	0.1
134.09641	0.2
136.89064	0.2
145.10201	0.3
146.06035	0.4
159.11664	0.2
172.03969	0.2
172.11227	0.2
183.09253	0.2
184.10049	0.2
197.10796	0.3
199.12387	0.2
204.06573	0.3
211.12357	0.2
212.13132	0.2
213.10387	0.2
213.14153	0.3
221.10736	0.3
223.12289	0.4
225.10228	0.4
225.13924	0.3
226.10881	0.2
227.11917	0.2
229.13490	0.2
235.12392	0.2
237.10229	0.3
239.11842	0.3
241.13399	0.3
249.10324	0.2
251.11862	0.5
253.13274	0.2
263.11978	0.2
265.13336	0.4
269.13019	0.2
275.20065	1.1
277.13147	0.2
293.21005	0.2
309.12558	0.2
311.13904	0.2
314.12830	0.4
315.13705	0.2
316.14462	0.3
325.15332	0.3
328.14722	0.3
329.15509	0.2
330.15976	0.3
340.14365	0.4
342.15952	0.3
344.17651	0.2
349.23819	0.5
354.16119	0.3
356.17862	0.3
357.18378	0.2
358.19385	0.2
375.16562	0.2
376.16406	0.4
377.17880	0.4
389.13599	0.3
389.17993	0.3
390.18433	0.6
391.19299	1.2
392.20190	0.2
403.15323	0.3
403.19894	0.3
404.16452	0.7
405.17029	0.7
405.21695	0.8
406.21957	1.2
407.22299	0.6
409.20151	0.2
417.17059	0.3
418.17697	1.4
419.18396	1.9
419.23703	0.2
420.23984	0.8
421.24036	0.6
422.21164	0.3
431.18951	0.5
432.19495	1.1
433.20358	3.0
434.21216	1.8
435.22385	0.9
437.19589	0.2
442.21606	0.3
445.20428	0.9
445.29517	0.2
446.17422	0.5
446.22021	0.2
447.17764	1.1
447.22079	1.7
448.23376	1.2
449.24088	1.4
451.21469	0.5
459.22342	0.3
460.18869	0.7
460.23965	0.2
461.19571	10.3
462.20383	3.2
463.21503	1.0
464.19037	0.2
465.18976	1.8
467.24557	2.3
475.21082	1.6
476.22058	2.3
477.23065	3.2
479.20041	1.0
480.21350	0.9
488.22360	0.2
489.23203	1.0
490.23389	0.3
491.20721	0.4
493.21851	1.4
494.22897	3.2
495.23843	1.6
503.24713	0.4
504.24850	0.2
505.21918	0.8
507.24313	1.0
508.25214	0.4
519.20563	0.4
520.24585	0.5
521.22247	1.5
523.23633	0.4
533.21747	0.8
534.26398	0.5
535.26776	1.4
539.22754	0.3
540.27338	0.3
547.26636	0.5
548.24213	2.8
549.24890	1.4
553.28009	1.2
563.26593	7.7
564.26147	0.6
565.24695	0.4
566.25232	0.4
576.23468	0.5
579.22253	0.3
580.26459	0.3
581.27649	11.5
582.28571	0.4
591.25873	0.4
593.24097	0.6
594.27411	0.2
595.28790	0.5
597.24884	0.2
607.29437	0.4
608.26288	1.5
609.26849	0.5
612.25574	0.5
623.28693	3.6
623.43915	0.3
624.27386	0.5
641.29675	100.0
642.30011	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68845	0.2
56.58559	0.2
69.81216	1.1
70.56899	0.2
85.18259	0.2
87.60764	0.2
91.05475	0.2
91.90263	0.2
96.13200	0.2
134.09663	0.3
183.09200	0.3
195.09067	0.3
197.10750	0.2
198.11464	0.2
199.12411	0.2
204.06491	0.2
211.12340	0.3
225.10306	0.4
227.11681	0.2
237.10162	0.4
237.13812	0.2
239.11771	0.3
250.11078	0.3
251.11807	0.4
263.11838	0.3
315.13885	0.3
316.14508	0.3
325.15607	0.4
330.16263	0.3
340.14676	0.3
344.17542	0.3
346.15485	0.3
374.15186	0.2
376.17023	0.2
377.17975	0.3
390.18445	0.4
391.19498	1.0
400.16592	0.3
403.15201	0.3
404.15973	0.3
404.20551	0.3
405.16516	0.4
405.20868	0.9
406.21942	1.4
409.20355	0.3
418.17667	1.2
419.18195	1.6
420.23245	0.7
421.24341	0.3
430.21347	0.3
431.18973	0.6
432.19550	0.7
433.20181	2.9
434.21179	2.0
435.22394	1.1
437.19858	0.3
445.20200	0.5
446.17047	0.5
447.17862	1.2
447.23257	1.4
448.22357	0.9
449.23730	1.5
451.21588	0.4
460.18726	0.3
460.23016	0.2
461.19495	9.3
462.20322	3.9
463.21494	1.0
464.18835	0.3
465.18698	1.6
467.24289	2.5
474.20480	0.3
475.21017	1.3
476.21906	2.0
477.23041	2.7
478.21320	0.3
479.20987	1.1
480.21030	1.0
489.22928	0.7
493.21466	1.1
494.23129	2.7
495.24036	1.7
503.25021	0.3
505.22726	0.6
507.23889	0.7
519.20648	0.4
521.22217	1.5
525.25299	0.3
535.27502	0.5
536.25061	0.3
539.23096	0.6
547.26978	0.3
548.24225	3.3
549.25256	1.4
553.28369	1.7
563.26611	6.3
564.26910	0.5
565.24579	0.5
576.23956	0.6
580.26459	0.3
581.27600	12.9
582.28351	0.3
593.23779	0.4
595.29150	0.3
597.26324	0.3
607.28693	0.5
608.26318	1.8
609.26965	0.4
612.26306	0.5
623.28717	1.9
624.26837	0.4
641.29669	100.0
642.29999	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	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.35785	0.2
53.60001	0.3
55.05488	0.3
62.90508	0.3
67.05519	0.4
70.02221	1.3
79.05531	0.3
79.94520	0.2
86.04353	0.3
91.05479	0.4
94.38258	0.3
100.91622	0.3
105.37090	0.3
133.10257	0.3
140.00616	0.3
176.83035	0.3
196.35574	0.3
275.20395	0.3
292.90833	0.3
340.14813	0.4
377.17813	0.9
378.18369	0.4
379.19391	0.9
391.19342	0.9
392.20044	0.8
393.21014	1.4
395.22418	0.5
405.16678	1.9
405.21649	0.5
406.17484	0.5
406.21973	0.4
407.22763	3.9
408.23260	0.6
409.23917	0.3
419.18274	2.4
420.19370	1.7
421.20227	3.8
422.21136	0.3
423.21808	1.0
433.20413	4.3
434.21286	3.6
435.22086	7.2
436.22687	1.0
437.23563	0.3
447.22174	1.4
448.23322	0.3
449.19708	8.1
450.20474	0.4
461.23727	0.6
462.20526	0.4
463.21124	2.9
464.22110	1.8
465.18649	0.4
467.24805	0.5
476.22485	0.6
477.22949	0.9
479.20895	1.0
480.21518	0.6
481.21933	1.9
493.21872	2.1
494.23056	3.1
495.23965	2.8
506.23026	0.4
507.24139	1.9
509.25668	0.5
521.25812	10.0
522.25659	0.6
523.26788	0.5
526.26013	0.8
535.23950	1.0
539.22668	1.4
548.81195	0.3
549.24835	1.3
553.26770	0.8
563.26459	1.0
567.26038	0.5
581.27655	21.7
582.28442	0.9
595.26123	0.4
609.26990	0.8
613.29852	0.6
623.28784	0.5
623.42297	0.4
641.29706	100.0
642.30298	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05520	0.5
67.05499	1.5
69.07063	0.6
79.05501	0.9
81.03410	0.5
81.07051	1.3
83.04984	0.4
83.74245	0.3
91.05486	1.1
93.07051	1.2
95.08605	0.6
97.06522	0.4
105.07035	0.6
107.08602	0.5
109.10210	0.3
119.08615	0.9
120.08079	0.3
121.10161	0.6
129.07121	0.3
131.08641	0.4
132.48273	0.3
133.10144	0.6
134.09688	0.3
135.08084	0.5
143.08578	0.4
145.10168	0.6
157.10240	0.3
171.11740	0.4
195.09062	0.3
221.22334	0.3
225.10281	0.4
229.82086	0.4
251.11853	0.5
265.07166	0.4
275.20206	0.5
314.13171	0.3
316.18005	0.3
325.15335	0.4
328.14389	0.4
331.97311	0.3
340.14508	0.5
342.16013	0.3
344.17688	0.6
349.23798	0.6
354.12387	0.3
375.16125	0.3
376.16852	0.4
377.17966	0.6
390.18475	0.4
391.19205	1.1
392.20291	0.5
393.20990	0.9
404.16086	0.4
405.17126	1.2
405.21286	0.9
406.22183	1.4
407.22812	1.3
409.20306	0.4
417.17093	0.5
418.17560	0.5
418.22324	0.5
419.18033	2.5
419.23294	0.6
420.18939	0.6
420.23553	0.8
421.20334	1.2
423.21640	0.6
431.18893	0.4
432.19693	0.4
433.20172	4.8
434.21268	2.9
435.22122	2.9
436.23248	0.4
437.19455	0.5
442.17749	0.3
445.20438	0.6
446.16846	0.4
447.17703	1.1
447.23047	1.9
448.22574	1.2
449.19839	2.2
451.21735	0.5
461.19357	5.7
462.20337	3.2
463.21289	2.0
464.22244	0.5
465.18567	1.6
467.24554	3.3
475.21097	1.3
476.22134	2.5
477.23123	4.4
478.22537	0.4
479.20956	1.0
480.21741	1.2
489.23630	0.7
491.25128	0.4
493.21616	1.8
494.23026	4.5
495.23828	3.6
505.21777	0.6
507.23810	1.5
520.24384	0.9
521.25946	3.3
522.25513	0.4
533.21942	0.5
534.26178	0.5
535.26532	1.1
538.25781	0.3
539.23590	0.4
548.24152	3.1
549.25244	1.0
553.28088	2.1
563.26520	7.3
564.26031	0.6
581.27625	34.9
582.28040	0.8
595.25568	0.4
609.27258	1.0
613.29779	0.6
623.28644	6.7
623.43005	0.5
641.29669	100.0
642.29828	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	642.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39381	0.5
51.02370	0.8
51.58063	0.6
53.03939	1.2
55.01865	1.6
55.05518	5.3
57.03448	3.1
57.07084	3.1
58.06601	0.9
61.02917	2.5
65.03929	1.1
67.05510	18.1
69.03422	0.9
69.07073	5.6
69.74439	1.0
69.74845	2.6
70.06596	8.5
71.04978	1.6
71.08637	1.4
73.02919	0.9
79.05495	12.9
81.03419	1.4
81.07060	18.9
83.04983	1.8
83.08620	3.7
85.02897	2.8
85.06567	1.2
85.10174	0.8
88.07635	10.7
91.03947	1.1
91.05486	16.5
91.06015	0.6
93.06480	1.1
93.07045	15.2
95.04952	1.8
95.08610	12.7
97.02872	1.5
97.06551	3.3
97.10152	2.0
98.20810	0.8
99.08080	0.9
102.09184	8.3
105.07037	18.0
105.08945	0.7
105.29614	0.8
105.67138	0.6
107.04952	2.4
107.08606	7.5
109.06517	2.4
109.10149	5.7
111.08111	1.4
115.05479	1.3
117.07018	10.0
119.08586	11.5
119.10143	0.6
121.06526	3.4
121.10151	6.1
121.21560	0.6
123.08070	2.1
123.11750	1.4
125.09621	1.5
127.03912	0.8
129.07014	6.4
131.08575	16.4
133.06499	1.9
133.10144	7.9
135.08035	2.1
135.11696	3.3
137.09637	1.9
141.06993	3.5
142.07687	0.8
143.08575	8.1
145.06514	0.8
145.10124	10.8
147.08032	2.3
147.11670	3.1
149.02347	20.2
149.03513	1.4
149.09633	1.4
151.11176	1.2
155.08565	4.9
157.10117	5.4
159.08105	0.9
159.11720	3.7
161.09579	1.3
161.13277	0.9
167.08572	1.9
169.10168	4.0
169.11372	0.7
171.11670	3.6
173.09618	1.3
173.13219	2.5
175.11084	1.0
175.14810	1.0
181.10110	2.7
183.11755	3.1
185.13196	3.1
187.11159	1.3
187.14822	1.7
193.04976	26.1
193.06740	1.3
195.11707	2.2
196.12332	0.6
197.13304	2.9
199.11281	1.0
199.14841	1.3
201.12726	1.0
201.16359	1.3
203.14279	1.0
209.13249	1.4
211.14841	1.4
213.12749	1.5
213.16222	0.9
215.14281	1.4
219.17488	0.8
223.14857	1.7
225.16252	0.8
227.12651	1.2
233.15312	1.5
237.16431	0.8
241.15852	0.7
243.17325	0.8
247.16855	1.4
259.16919	1.0
275.20099	1.3
284.29489	19.0
297.03979	1.2
313.07077	1.5
325.25201	2.6
335.23758	2.3
341.06616	5.6
343.26352	2.7
353.24817	8.0
359.07541	3.7
360.85263	0.8
371.25827	8.9
385.04404	1.3
385.09171	24.9
389.26837	4.4
427.28452	1.9
445.29517	100.0
446.29868	2.7
462.20093	2.0
463.30551	44.1
464.31064	1.1
478.23444	1.0
495.23480	0.8
496.24506	1.1
532.82794	0.7
544.37885	0.8
554.28278	1.0
564.26892	1.5
582.28021	4.3
642.28198	12.8
642.36102	43.2
643.27924	1.1
643.37122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01867	1.0
55.05515	5.1
57.03428	2.0
61.02937	3.0
63.19842	0.5
65.03954	1.1
67.05509	15.2
69.03432	0.9
69.07074	4.2
69.24097	4.3
71.04996	0.5
73.02928	0.7
77.03911	0.7
79.05497	11.3
80.97443	0.5
81.03428	1.0
81.07056	13.7
83.04969	0.8
83.08617	2.7
85.02914	2.3
85.06544	1.1
91.03953	1.5
91.05485	16.3
93.06481	0.9
93.07049	12.2
93.68784	0.5
95.04976	1.6
95.08614	8.8
97.02914	1.0
97.06556	2.2
97.07101	0.5
97.10178	0.9
98.20797	0.8
99.04474	0.5
99.08112	0.5
103.05476	0.7
105.07040	17.1
107.04964	1.3
107.08592	6.6
109.06529	1.6
109.10163	3.2
111.08073	1.0
115.05482	0.8
117.07019	8.1
119.08582	11.3
121.06503	1.2
121.10160	4.2
123.08096	1.1
123.11745	0.7
126.83709	0.4
127.03954	0.7
128.06200	0.8
129.07013	5.1
130.07779	0.6
131.08575	13.6
133.06465	1.3
133.10129	7.4
135.08044	1.7
135.11700	2.1
137.09624	1.2
139.11118	0.5
141.07004	1.9
143.08578	6.3
145.06477	1.0
145.10127	9.5
147.08060	0.9
147.11658	2.2
149.09634	1.2
149.13260	0.8
151.11192	0.6
155.08614	2.8
157.10121	3.8
159.08134	1.0
159.11678	3.5
160.87105	0.5
161.09637	0.9
161.13289	0.8
167.08604	1.0
169.10156	2.6
171.11711	3.0
171.70465	0.5
173.09608	1.0
173.13246	1.5
175.11188	0.8
175.14900	0.7
177.12640	0.7
181.10146	2.2
183.11673	1.9
185.13289	2.0
187.11252	0.8
187.14832	1.5
189.12842	0.7
195.11690	1.4
197.13225	1.8
199.14815	1.1
201.16414	0.5
209.13283	1.5
211.14798	1.7
215.14410	0.5
217.15848	0.7
223.14870	0.6
227.14346	0.6
247.17043	1.1
261.18436	1.0
267.69342	0.6
269.73123	0.5
273.18372	0.6
275.20245	0.5
287.19775	0.7
325.25357	1.0
335.23715	0.8
343.26389	1.7
353.24585	4.2
371.25821	4.3
389.26984	4.3
427.28311	0.9
445.29498	100.0
446.29544	2.4
463.30566	22.9
582.28711	0.6
599.37329	0.5
634.64105	0.7
642.30066	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	642.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05502	5.8
57.03431	1.8
57.07084	12.5
67.05496	6.9
69.07070	4.1
70.12592	1.7
71.08647	9.5
71.52695	3.0
71.53059	2.0
79.05505	6.0
81.07060	31.2
83.05008	2.1
83.08632	5.1
85.10191	5.6
91.05492	2.5
91.74896	1.7
93.07051	4.4
95.08619	13.9
97.10164	3.5
105.07034	3.3
106.96019	1.9
107.08611	5.1
109.06519	11.3
109.10162	6.2
111.04436	12.1
119.08576	4.9
121.10155	2.3
123.08094	3.0
123.11750	2.8
125.06007	5.5
133.10114	4.6
135.08066	2.7
135.11702	4.5
137.05980	100.0
147.11685	5.8
149.09598	3.1
149.13284	2.2
151.07559	2.4
157.10129	2.9
160.94164	1.7
161.09653	6.4
161.13339	2.1
163.11243	3.4
175.11203	4.8
203.17969	5.1
221.19057	2.6
231.17480	9.1
241.05815	1.8
249.18434	4.5
252.61736	1.9
277.18008	46.9
295.19077	7.7
313.27365	33.0
320.38348	1.8
351.21671	25.7
351.34793	2.2
394.30423	2.0
589.44629	80.3
607.45673	4.6
642.45300	2.2
643.45819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82737	0.8
53.03937	2.3
54.51397	0.8
55.05517	9.7
57.03430	4.5
57.07080	25.3
57.63436	0.9
58.03893	0.9
65.03938	1.4
67.05508	28.0
69.07070	9.9
69.80792	4.5
71.04976	2.1
71.08637	19.7
73.10851	0.7
77.48071	0.8
79.05494	15.6
79.53663	0.8
81.03413	2.1
81.06590	1.6
81.07061	29.2
83.04987	5.9
83.08147	0.9
83.08623	9.5
85.06527	0.8
85.10188	10.0
91.05488	11.9
91.47614	0.7
93.06491	1.3
93.07053	19.5
95.04981	5.3
95.08610	20.6
97.06512	3.0
97.10165	2.2
98.21441	1.0
99.08092	3.6
99.11743	1.0
105.07040	6.7
107.04909	0.8
107.08611	7.8
109.06499	1.3
109.10173	9.1
111.08100	2.5
117.07039	5.2
119.08586	2.8
121.10128	5.4
123.08035	1.1
123.11688	2.3
131.08583	4.4
133.10126	3.9
135.11702	2.6
139.11140	1.0
145.10127	1.3
147.11670	2.0
148.63802	0.9
149.13245	5.4
151.11156	4.9
159.11687	3.8
161.13263	1.7
163.11163	2.4
177.12730	1.2
179.14226	1.2
195.13811	2.8
227.12770	1.3
239.23770	2.5
241.19618	1.0
251.16425	2.0
257.24741	0.9
259.20593	1.5
269.17490	11.3
277.21594	7.0
309.28424	0.9
313.27374	26.0
341.26724	1.2
351.25311	10.4
352.25928	0.9
369.26492	1.0
448.33893	0.9
467.37180	1.2
507.40491	100.0
508.40390	1.8
589.48279	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	646.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92796	0.6
55.05507	0.9
57.07082	5.8
58.06597	1.6
65.03941	4.9
66.04794	0.6
67.05508	1.6
69.03417	0.7
69.07059	1.0
70.06603	19.1
71.08638	4.2
71.83327	0.5
72.08167	0.7
79.05473	0.8
81.03439	0.8
81.07075	2.0
84.08151	0.8
86.09721	1.6
88.07643	23.5
91.05470	1.5
93.07033	0.9
95.08648	0.8
97.02873	0.6
97.06525	0.5
102.09192	16.0
107.08559	0.9
119.08616	0.8
121.02857	1.8
125.00026	0.6
131.08615	0.6
133.10078	0.7
135.11691	0.8
139.03946	1.4
145.10211	0.7
147.04437	0.7
149.02370	60.8
149.03459	5.7
150.02704	0.8
156.17444	0.7
175.03952	1.7
184.07359	7.4
185.00110	0.5
193.04982	20.4
193.06752	1.0
200.20116	64.5
201.20461	0.6
210.23149	0.5
219.06548	0.7
225.05412	0.9
237.07603	0.9
263.09155	0.9
297.04160	0.7
306.92093	0.6
341.06622	1.4
359.07626	1.1
385.09277	7.0
387.10989	0.9
403.04980	0.6
403.06503	0.4
403.10297	15.7
429.11853	14.2
431.28186	1.5
449.29214	2.6
473.14471	16.9
473.20984	0.9
628.31244	1.8
646.32288	100.0
647.32678	2.1
666.21527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14577	0.2
52.94117	0.2
53.03934	0.3
54.03483	0.9
55.05503	0.8
56.05020	0.7
57.03429	0.5
57.07079	1.0
57.07309	0.2
58.99567	0.2
60.04510	0.6
60.71197	0.2
61.02927	0.3
67.05511	1.4
68.75625	0.2
69.03441	1.8
69.07083	1.2
69.45065	1.4
69.87145	0.2
70.06587	0.9
72.08163	2.8
74.02449	3.3
76.02225	0.6
79.05495	0.3
80.05003	0.3
81.03422	0.6
81.07067	1.3
82.06593	3.1
84.04484	0.3
84.08151	4.5
85.02913	2.7
86.09708	0.8
88.04004	2.2
91.03970	0.2
91.05485	0.4
93.07043	0.3
95.04984	0.6
96.07570	0.3
96.08146	3.6
97.02914	1.1
97.08930	0.3
98.09702	3.6
98.20700	0.2
99.00825	0.4
99.04442	0.4
103.05463	0.4
109.02885	0.8
112.07604	0.4
115.05457	0.9
117.05771	0.3
118.06570	1.0
119.04915	0.3
120.04560	0.2
120.08097	0.4
124.07567	0.4
127.03932	1.9
128.07089	0.9
128.88538	0.2
130.06541	25.0
130.08636	12.0
131.06934	0.2
132.04460	6.0
132.08112	2.7
133.05280	0.3
136.07555	0.3
142.06544	0.8
142.08652	5.0
143.07326	0.2
144.08087	1.3
145.04988	0.8
146.06021	6.1
146.52989	0.2
147.04417	0.6
148.07607	1.6
151.03893	0.5
155.06010	0.2
156.04485	0.3
156.08028	0.3
157.07645	2.0
158.06027	52.8
159.06453	0.4
159.09196	0.3
160.07593	10.7
160.11153	0.2
163.03966	0.3
167.03378	0.2
169.04956	0.7
169.07550	0.4
172.07587	0.2
174.12737	0.3
175.08687	4.3
176.07118	1.2
177.05493	0.3
179.03407	1.1
179.04790	0.4
181.04965	0.9
184.11198	0.6
186.05527	2.0
186.09145	1.0
188.10818	0.2
196.11290	0.3
197.04469	6.1
197.10715	0.2
201.06667	0.3
201.13899	0.2
202.12253	0.8
203.08173	0.7
204.06612	1.7
205.04933	0.4
211.05952	0.4
211.12296	0.4
212.10725	2.0
213.13893	0.4
223.06091	0.4
229.13387	33.1
230.11710	0.4
230.13766	0.4
231.14943	0.8
234.32065	0.2
237.10410	0.2
243.11385	0.3
247.09633	0.3
257.12863	1.9
258.11212	0.3
265.10742	9.4
267.12250	0.4
267.53238	0.2
275.13919	100.0
276.14200	0.7
285.12329	0.3
303.13422	0.3
308.09039	0.2
338.10217	0.7
386.39203	0.3
405.10208	0.3
417.41486	0.2
427.15976	2.8
545.44336	0.2
629.23712	1.3
647.13690	0.4
647.23816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01874	0.4
55.01857	0.5
55.05506	1.0
57.03430	0.5
61.02925	0.7
63.55551	0.4
67.05495	1.3
69.03420	1.3
69.07085	0.5
70.02944	0.9
70.06586	0.7
71.04973	0.5
72.08141	0.8
74.02439	2.4
79.05485	1.7
81.03404	0.8
81.07076	2.0
83.31599	0.4
84.08127	0.8
85.02897	2.5
91.05475	1.5
93.07050	1.0
94.06548	0.5
95.04983	0.8
95.08603	0.5
96.08130	1.7
97.02888	1.0
97.06596	0.5
98.21497	1.3
105.07019	0.9
106.06580	0.9
107.08623	0.6
109.06506	0.7
109.10157	0.6
109.75648	0.4
112.08411	0.4
118.06554	2.9
119.08588	0.6
123.04427	0.9
130.06526	4.1
130.08656	1.8
132.02419	0.4
132.04483	0.9
132.07126	0.4
132.08057	2.2
133.10130	0.6
142.06407	0.5
142.08632	0.9
143.07314	0.9
143.08502	0.5
144.08089	1.2
145.09979	0.5
146.06013	10.0
147.04350	0.5
150.12769	1.1
154.06525	1.8
155.07349	0.9
156.08127	0.8
157.07622	0.6
158.06026	7.0
158.08376	1.7
158.09663	5.7
159.09215	2.9
160.07588	1.8
160.11223	5.3
163.03928	0.5
167.07245	2.6
168.08078	2.7
169.04991	0.4
169.07628	3.3
169.08931	1.3
170.06120	0.8
170.08386	1.7
170.09695	1.2
171.06857	0.6
171.09195	3.7
172.11200	2.4
174.07861	0.5
174.12779	2.4
175.08617	0.5
179.03412	1.1
181.04967	0.9
181.08827	0.9
182.08418	2.5
182.09781	0.5
183.06798	1.3
183.09238	1.2
184.07593	0.8
184.09955	0.9
184.11264	9.6
185.07095	1.4
186.07835	1.8
186.09238	6.6
186.12814	0.7
188.07069	3.2
188.10709	5.8
194.09750	0.9
196.11249	8.5
197.04451	3.6
201.13879	1.7
202.12294	1.8
203.08237	0.5
204.06686	0.6
211.06033	0.5
211.12297	6.7
212.10732	8.2
213.13876	20.1
223.05942	0.5
228.09045	0.6
229.13374	18.8
230.11734	1.7
231.15009	2.7
239.11824	2.0
240.10199	2.0
243.11205	0.6
257.12875	16.8
258.11267	0.7
263.09109	0.7
265.10718	9.9
275.13910	100.0
276.14276	0.9
394.16586	0.7
427.15939	3.0
450.58185	0.4
485.19119	1.6
500.90921	0.4
549.92297	0.4
601.23761	0.6
629.22900	0.7
647.22876	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	648.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03491	0.2
55.01874	6.0
57.03437	0.8
61.02937	1.3
67.05507	0.5
68.05025	0.5
69.03439	3.4
69.42670	1.8
70.06595	9.5
71.05009	0.6
72.91615	0.3
73.02934	0.4
76.02239	0.5
81.03416	1.6
81.07026	0.3
84.04502	0.8
85.02906	9.9
86.09705	0.5
87.04481	0.5
91.03947	0.7
91.05480	0.4
93.07048	0.4
96.04494	32.2
97.02890	3.3
98.20769	0.6
99.04454	0.5
105.07036	0.3
107.04993	0.3
107.08656	0.3
109.02872	1.1
112.87120	0.2
114.05532	100.0
120.08178	0.4
122.06044	2.1
124.33189	0.3
127.03915	2.4
131.04924	0.7
133.54469	0.2
135.04463	0.4
145.04974	1.9
147.04407	0.8
149.06004	0.6
159.04445	0.7
163.03905	1.9
165.05362	0.3
175.04007	0.3
177.05460	2.9
178.90437	0.2
181.04938	4.2
181.44315	0.3
187.03914	2.1
190.31665	0.3
193.04984	2.0
195.06519	1.1
197.04453	0.5
205.04964	8.6
211.06015	14.5
222.09685	0.2
223.06013	43.6
224.06459	0.4
232.11852	0.3
265.10712	0.7
303.04822	0.4
306.09760	0.9
308.66846	0.3
373.11264	7.1
385.11288	9.4
385.16257	0.5
430.96927	0.3
442.17157	4.3
451.19424	0.3
468.15106	2.8
486.16074	33.0
604.21973	0.8
648.21655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52489	1.2
51.70959	1.5
53.03949	1.8
55.05508	3.1
56.94462	1.2
57.07084	1.4
58.13110	1.2
59.70421	1.2
66.57830	1.2
67.05509	8.7
69.03434	36.2
69.07062	3.9
79.05505	4.8
81.03416	4.7
81.07067	10.8
83.04984	4.3
85.02950	1.7
85.06544	2.3
87.04425	1.3
91.05479	5.2
93.07053	7.6
95.04949	1.5
95.08611	11.8
97.06521	3.1
105.06408	1.2
105.07043	4.3
107.08603	15.9
109.06506	4.8
109.10148	4.3
111.08115	2.8
117.07010	2.9
119.08578	4.9
121.10166	8.8
121.10898	1.5
123.08063	4.3
123.11717	4.0
125.09639	21.0
129.06970	1.3
131.08592	8.7
133.10150	11.2
135.08069	11.1
135.11667	5.8
143.08530	1.9
145.10152	5.3
147.11690	4.8
149.09618	5.9
149.13293	4.6
153.09126	8.2
157.10130	1.8
158.10933	2.1
159.11743	1.7
161.13217	2.9
163.11185	5.0
163.14822	4.9
165.12691	2.1
171.11676	1.6
173.13278	23.9
191.14314	77.5
209.15376	100.0
213.46304	1.4
236.06979	1.2
369.24362	2.6
543.97870	1.2
574.27393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86641	0.2
55.60281	0.3
56.05011	0.8
58.06591	0.5
60.08168	5.8
67.05489	0.6
70.64511	0.3
70.64846	0.6
71.07051	0.3
71.07378	3.2
81.07047	0.4
83.08598	0.3
86.09710	30.3
89.78411	0.2
93.07001	0.3
97.94914	0.2
98.98471	3.2
101.62915	0.3
104.10740	2.3
107.26846	0.2
109.10139	0.7
115.18645	0.3
122.26932	0.2
125.00010	19.3
175.01151	0.2
184.07347	100.0
185.07512	0.3
203.33276	0.3
213.71840	0.3
256.93219	0.3
650.43927	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	651.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.3
53.03939	0.6
55.01869	0.5
57.03422	0.7
61.02917	1.4
65.03938	0.4
68.99788	3.1
69.03423	2.5
69.74095	1.6
71.05001	0.6
73.02923	0.6
81.03416	1.8
85.02441	0.4
85.02913	8.0
86.53383	0.3
87.04468	0.5
91.03966	0.6
97.02903	3.5
99.04449	0.8
109.02880	1.9
111.00806	4.0
111.04460	0.4
121.02866	1.2
123.04435	3.3
127.03924	21.7
133.02853	0.8
137.02382	0.4
139.03908	7.3
143.03395	0.7
145.04974	1.7
147.04390	1.4
149.02338	3.6
151.03908	8.9
155.03378	1.0
159.04382	0.5
161.02330	0.4
161.05984	0.9
163.03943	1.4
167.01982	0.8
167.03407	13.1
169.05035	0.6
171.04419	0.9
173.02464	0.6
175.03915	3.6
177.05487	1.3
179.03401	12.6
181.04984	0.8
183.02861	0.4
185.04460	100.0
186.04805	0.5
187.03969	0.6
189.05489	1.5
191.03397	1.0
193.04935	0.7
194.08652	0.3
197.04480	3.3
199.03862	1.8
201.05403	0.6
203.03407	3.8
205.05023	0.7
209.04446	4.1
213.05536	1.0
217.04976	2.4
219.03000	0.5
221.04391	0.6
227.03555	0.4
227.05487	8.8
229.05016	0.7
231.06599	0.5
235.05986	1.2
241.04895	0.6
243.02890	1.7
245.04468	5.6
249.03940	0.7
257.04462	0.8
259.03326	0.3
259.06049	0.9
261.03943	3.2
263.05527	15.1
269.04443	1.1
273.04233	0.4
275.05606	0.4
277.06995	0.7
281.04285	0.4
285.03958	11.3
287.02271	0.6
287.05496	8.9
291.04959	0.5
303.05005	29.9
305.06485	2.4
315.04977	1.1
321.06018	5.9
327.05081	1.3
333.06033	7.3
345.06091	6.3
347.09680	3.0
361.36197	0.4
363.07123	2.7
453.08316	0.4
465.10318	3.0
471.09381	2.3
483.11407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01860	4.0
55.05268	1.9
55.05516	23.2
57.03446	9.6
57.07085	3.2
59.04999	2.7
64.73085	1.4
65.03936	3.7
67.05508	100.0
69.03430	22.8
69.07080	13.0
69.16186	7.3
69.16609	7.3
71.04995	6.4
77.03927	1.4
79.05496	28.4
79.05920	2.8
79.10802	1.2
81.02993	2.1
81.03423	30.2
81.06587	2.9
81.07058	49.6
83.04992	13.2
83.08630	12.2
85.02919	7.1
85.03368	1.3
85.06544	5.4
91.05487	28.4
93.07051	30.7
95.04985	8.8
95.08619	32.0
95.67640	1.4
97.02905	7.2
97.06530	4.4
97.10172	10.0
99.04465	3.9
99.08107	3.1
100.82661	1.3
105.07035	20.8
107.04952	3.6
107.08597	19.5
109.02881	5.9
109.06512	6.1
109.10160	65.5
111.04460	6.7
111.08077	4.2
114.05393	1.2
115.05466	2.0
117.07027	12.7
119.08591	21.2
121.06492	3.0
121.10159	13.2
122.01450	1.4
123.08094	4.0
123.11729	4.6
125.09630	8.8
127.03944	4.2
128.06184	2.3
129.05479	4.2
129.07010	6.8
131.08569	18.2
133.06494	3.0
133.10156	12.0
135.08073	5.7
135.11714	8.0
137.09627	5.4
139.11136	2.1
141.06982	2.7
142.07841	1.6
143.08525	8.0
145.06534	2.8
145.10120	12.7
147.08029	3.6
147.11716	7.2
149.09656	1.8
149.13248	4.0
151.07523	2.1
155.08551	5.1
155.10686	7.3
156.74147	1.5
157.06483	1.4
157.10062	7.6
159.08086	1.8
159.11700	9.8
161.05910	1.6
161.09645	3.7
161.13297	6.1
163.11217	2.2
167.08572	2.9
169.10132	5.5
171.08089	2.8
171.10349	2.3
171.11691	6.2
173.11734	16.8
173.13275	6.4
175.11201	2.6
175.14757	1.7
179.08609	1.8
181.10173	2.6
183.11647	3.4
184.07321	2.7
185.09601	3.0
185.13271	4.7
187.11143	1.4
187.14824	2.9
189.11211	5.7
189.12769	2.9
195.11737	2.1
195.13855	1.7
197.09702	1.8
199.11201	2.0
199.14854	3.5
205.12238	1.6
211.13214	1.7
221.13370	1.8
222.20311	1.6
227.12717	8.4
229.14362	38.3
245.13927	2.6
259.20435	2.2
261.22134	2.8
273.22195	1.5
277.21558	1.9
289.21927	2.0
297.22363	1.4
299.14810	2.2
301.21649	4.1
303.23312	3.6
315.23297	2.7
319.22693	3.1
327.23120	3.3
335.25793	5.6
337.27188	2.1
341.24585	2.1
345.24313	3.3
351.23181	5.4
353.24545	2.2
369.24286	11.3
371.16962	2.7
373.18509	5.5
375.25418	1.6
385.23615	1.8
387.25345	7.3
405.26361	4.0
423.27109	1.8
443.27850	4.0
461.28909	5.9
479.29813	5.3
489.35727	9.3
505.34573	1.6
529.35120	1.9
547.36340	3.1
555.36346	1.7
559.36353	2.6
573.37946	2.3
597.37836	6.5
615.38837	11.9
633.40033	35.5
634.41058	2.3
651.40930	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01859	4.2
55.05516	23.4
57.03440	11.1
57.07077	3.0
59.04988	4.3
61.02901	1.5
65.03937	4.5
67.05509	100.0
69.03434	20.9
69.07076	15.5
69.16217	8.0
69.16643	6.2
71.04990	5.2
71.08596	1.6
73.02910	2.1
79.05493	32.2
81.03426	33.3
81.07058	47.8
83.04983	13.7
83.08631	11.7
85.02901	6.5
85.06532	3.5
91.05484	27.2
93.07049	31.4
95.04984	8.8
95.08611	29.4
97.02909	9.8
97.06519	4.0
97.10163	9.0
98.21533	3.2
99.04466	3.4
105.04504	2.4
105.07032	19.4
107.04966	4.5
107.08593	22.8
109.02913	6.8
109.06506	4.2
109.10162	56.0
111.04440	5.7
111.08086	3.3
117.07033	10.9
119.08595	18.9
120.00523	1.6
121.06543	3.6
121.10167	12.4
123.08048	2.6
123.11705	4.2
125.09619	7.3
127.03900	5.1
128.06252	2.2
129.05484	5.4
129.06985	7.4
131.08595	15.2
133.10146	13.2
135.08072	5.8
135.11729	7.8
137.09589	3.4
139.11133	2.1
141.06961	2.3
142.07771	1.9
143.08548	7.0
145.06480	3.8
145.10133	11.3
147.08040	3.9
147.11700	8.6
149.09596	3.6
149.13246	3.6
151.07581	2.0
151.11165	1.4
153.09090	1.7
155.08549	4.4
155.10696	4.6
157.10127	6.5
159.11713	8.6
161.09641	3.9
161.13264	5.6
167.08572	2.2
169.10185	3.5
171.10358	1.6
171.11710	6.5
173.09695	3.3
173.11732	15.3
173.13295	4.6
175.11179	3.3
175.14845	2.7
177.12793	2.4
181.10147	1.8
183.11699	4.5
184.07368	2.4
185.13312	2.9
187.14880	3.0
189.11211	7.5
195.11705	2.7
199.14854	3.2
209.13223	2.2
211.14810	2.6
214.27132	1.4
215.14426	2.0
222.54234	1.9
227.12608	6.9
229.14345	34.4
245.13762	2.8
259.20529	3.0
261.18378	1.7
261.22083	4.6
263.23553	1.5
265.38599	1.5
277.21628	2.6
299.14975	1.9
301.21707	4.4
317.24817	1.9
323.23578	1.6
327.23099	1.9
335.25897	13.1
337.27380	5.1
341.24915	2.0
345.24072	2.0
351.23090	7.2
369.24243	11.1
371.17044	1.7
373.18515	5.0
387.25253	5.2
405.26303	3.8
443.28055	3.6
461.28986	5.5
479.29950	3.3
489.35779	9.1
597.37689	5.6
615.39014	8.2
633.39978	34.5
651.41199	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.9
55.01866	5.4
55.05270	2.1
55.05518	28.1
57.03444	13.6
57.07077	1.7
59.04993	3.9
65.03938	4.8
67.05514	100.0
69.03440	22.8
69.06783	1.6
69.07084	16.3
70.96423	2.7
71.01371	1.7
71.05000	8.4
73.02919	2.5
79.05498	27.0
81.03430	43.2
81.07068	57.0
83.04996	17.5
83.08628	14.5
85.02897	6.2
85.06534	4.7
91.05492	30.8
93.07058	37.8
95.04993	8.5
95.08620	40.2
97.02907	14.7
97.06524	6.0
97.10190	13.9
99.04453	3.8
99.08106	1.9
103.03973	2.1
105.04565	1.4
105.07042	21.4
107.04965	4.2
107.08603	24.5
109.02924	7.4
109.06517	5.9
109.10168	70.2
111.04459	8.4
111.08067	4.8
113.05939	1.6
117.07016	13.9
119.08605	23.4
121.06555	3.3
121.10162	19.8
123.08065	3.7
123.11724	6.1
125.09658	13.1
127.03973	7.0
128.06241	1.9
129.05502	8.5
129.07014	8.5
131.08580	16.6
133.06502	3.2
133.10127	13.5
135.08064	5.7
135.11699	9.8
137.06009	2.1
137.09593	7.3
137.13268	2.5
139.11159	2.9
141.07007	2.7
142.07808	1.6
143.08588	7.3
145.06471	2.8
145.10156	13.8
147.08061	3.5
147.11690	11.3
149.09653	3.2
149.13261	5.2
151.07458	1.4
153.09158	1.6
155.08563	3.6
155.10718	6.2
157.10104	7.0
159.08089	2.2
159.11734	12.0
161.09639	2.7
161.13231	5.7
163.07637	1.3
163.11162	3.2
163.14844	2.8
165.12750	1.5
167.08592	2.7
169.10161	5.9
171.08035	2.4
171.11681	4.2
173.09641	3.4
173.11749	18.7
173.13315	7.4
175.11217	4.8
175.14845	3.3
179.10744	1.6
181.10164	2.9
181.12329	2.4
183.10065	1.9
183.11668	4.9
184.07307	1.6
185.09642	3.5
185.13263	4.8
187.11229	3.0
187.14784	2.6
189.09669	1.3
189.11237	9.1
189.12712	2.1
197.13297	3.4
199.11281	2.5
199.14883	2.4
201.12891	2.6
209.13284	2.4
211.13240	2.1
213.12862	1.9
227.12756	15.0
227.14639	1.9
229.14368	43.3
229.16603	2.7
233.15556	1.5
239.14330	1.6
245.13898	5.6
259.20575	3.0
261.22089	6.4
273.22241	2.6
277.21875	2.1
289.21539	2.3
291.23056	1.5
297.22244	1.4
299.14932	3.0
299.23471	1.5
301.21564	4.1
303.23218	1.8
315.23013	1.6
319.22461	1.7
323.23688	1.6
327.23325	2.1
335.26065	8.5
337.27396	7.0
338.10977	1.7
341.24792	1.9
345.24310	3.2
351.23212	6.2
353.24600	1.8
357.24310	2.3
363.25449	1.8
369.24277	11.1
371.17038	4.4
373.18472	6.6
387.25354	8.5
405.26248	3.4
419.27859	1.6
425.26743	1.8
443.27896	5.2
461.28894	5.8
479.29865	5.5
489.35818	7.4
507.36594	3.8
573.37866	1.7
579.37311	1.8
585.37897	2.1
597.38037	10.4
615.38879	9.8
633.40118	37.1
651.30457	2.1
651.40967	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	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.8
55.01879	3.1
55.05277	1.8
55.05520	29.2
57.03452	9.2
57.07071	2.9
59.04996	4.3
61.72206	1.2
65.03949	4.0
67.05515	100.0
69.03439	25.7
69.07076	13.4
69.35445	9.1
71.05003	7.9
77.46323	1.3
79.05505	35.6
81.03432	50.4
81.07068	60.1
83.04996	22.7
83.08633	15.4
85.02910	5.7
85.06559	4.9
91.05492	30.9
93.06493	2.4
93.07061	35.8
95.04972	7.8
95.08620	36.5
97.02905	14.2
97.06538	5.3
97.10187	14.3
98.21529	2.8
99.04453	4.0
99.08092	3.2
101.71195	1.2
103.04017	1.3
105.07049	23.6
107.04952	4.5
107.08612	24.1
109.02906	7.8
109.06541	3.9
109.10177	66.3
111.04465	10.8
111.08069	4.4
115.05470	2.4
117.07043	12.0
119.08605	23.5
121.06535	2.4
121.10169	20.0
123.04423	1.6
123.08105	3.5
123.11698	7.1
125.09647	11.1
127.03923	8.4
128.06244	2.0
129.05505	11.9
129.07001	9.3
130.07803	1.3
131.04962	1.6
131.08588	14.9
133.06479	1.8
133.10165	11.8
135.08054	3.2
135.11751	8.4
137.05898	1.3
137.09615	4.7
137.13239	2.2
139.11127	2.5
141.06981	2.0
142.07831	1.8
143.08551	5.6
145.06534	2.2
145.10139	12.1
147.04407	1.4
147.08009	3.9
147.11702	9.6
149.09590	2.0
149.13275	6.4
151.11177	1.6
153.09036	1.5
155.08563	4.4
155.10690	6.3
157.06512	1.3
157.10188	8.2
159.08041	2.7
159.11729	12.3
161.09669	3.2
161.13329	6.6
163.11256	3.5
163.14790	2.5
167.08546	1.8
169.10193	5.0
171.08083	1.3
171.10298	2.7
171.11734	6.7
173.11742	17.0
173.13289	6.7
175.11209	3.2
175.14784	2.8
177.16263	1.5
179.10701	1.8
181.10100	1.8
183.11734	3.6
185.09641	2.0
185.13289	4.4
187.11249	1.9
187.14891	3.3
189.11215	11.3
189.12715	1.9
195.13913	1.5
197.13286	3.0
199.11298	2.8
199.14859	3.2
201.12717	1.4
209.13301	1.8
213.12747	2.7
221.13428	1.5
227.12723	12.9
229.14355	31.1
229.19511	1.5
243.21107	2.3
245.13892	5.2
259.20615	5.4
261.22131	8.6
263.23651	2.8
273.22113	1.7
277.21686	1.8
289.21606	2.2
297.12991	1.5
297.22226	2.8
299.14987	4.9
301.21680	4.2
313.21768	1.7
315.23160	1.6
316.18332	1.3
317.24850	2.4
319.22824	2.7
327.23611	1.7
333.39355	1.3
335.25900	20.7
337.27426	12.6
341.24713	2.1
342.15036	1.5
351.23248	5.6
355.17422	1.9
357.24344	2.1
369.24283	14.8
371.17020	4.8
373.18658	10.5
375.25140	2.0
387.25296	6.1
405.26318	5.2
419.27185	1.4
438.40219	1.3
443.27975	3.4
461.29077	4.7
479.30066	4.0
487.33847	2.4
489.35870	7.6
507.36902	5.4
559.36359	3.3
585.37476	1.8
597.37537	5.3
615.38928	9.3
633.40063	36.7
651.41229	22.6
655.71100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01891	0.7
55.05279	0.7
55.05516	8.8
57.03440	6.1
57.07063	1.1
59.04993	2.9
61.02920	4.3
65.03934	2.0
67.05511	89.3
69.03429	2.6
69.07066	3.9
71.05002	18.5
71.52130	1.3
73.02955	1.6
77.08147	0.8
79.05504	11.4
81.03413	3.0
81.07062	63.3
83.04964	3.4
83.08627	6.9
85.02888	3.3
85.06551	8.6
87.04473	1.0
91.03943	2.1
91.05484	15.2
93.07059	11.6
95.04979	2.0
95.08612	9.2
97.02883	3.1
97.06522	2.4
97.10157	1.5
105.07033	5.5
107.08611	9.7
109.06509	1.5
109.10164	69.8
111.08070	3.3
117.07017	2.1
119.08601	7.1
121.10133	2.7
123.11699	10.8
125.09617	1.3
127.03929	0.8
127.07533	0.9
130.75877	0.8
131.08569	2.5
133.10141	11.3
135.11693	3.2
137.09610	3.3
147.11681	1.0
149.13246	3.7
151.11195	6.2
155.10707	5.1
157.10159	0.8
159.11639	3.8
164.43430	0.8
169.12245	1.8
173.11732	14.5
177.12782	1.8
183.13826	3.2
185.04488	1.2
187.13287	4.1
195.13760	2.0
225.14917	1.0
229.14377	19.4
255.15585	0.8
257.17468	1.3
267.16122	1.2
269.17490	3.5
301.20047	12.4
397.25870	76.0
398.26221	1.5
411.27698	4.2
423.27435	34.3
424.28116	1.0
455.30093	100.0
456.30472	1.6
550.53101	0.8
567.31439	1.3
569.68420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91882	0.5
52.89349	0.5
59.60997	0.5
63.67521	0.5
67.05450	1.4
68.82281	0.5
71.52457	0.7
76.61449	0.5
79.05432	0.5
81.03361	0.7
81.07030	0.9
91.05402	0.9
93.07013	1.2
93.11214	0.5
95.08546	0.6
105.06982	0.9
109.10120	0.9
119.08549	0.6
123.47816	0.5
323.67178	0.6
389.17383	0.6
403.19116	2.0
404.20114	1.1
405.20685	1.8
416.20197	0.6
417.21005	2.7
418.21448	1.8
419.22394	2.9
430.17484	0.9
431.18280	8.1
432.19327	2.1
432.24020	0.8
433.24167	8.4
434.24753	1.4
445.19730	8.9
446.20743	5.0
447.21866	5.4
459.21588	4.3
460.22455	11.8
461.23434	11.4
462.20499	0.8
473.23703	3.5
474.24191	0.9
487.25043	1.1
489.23227	0.8
492.25027	0.8
505.21710	3.3
515.24396	1.1
519.24103	2.1
540.12299	0.6
547.27075	42.8
548.27399	2.1
549.25269	1.1
575.26282	1.5
578.25366	1.2
579.29626	1.6
593.27625	1.0
607.29169	100.0
608.29254	3.1
609.27148	0.6
635.40631	0.7
653.29669	37.2
654.30182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.68175	0.4
55.05515	0.8
67.05511	1.6
69.07078	0.6
70.56947	1.0
73.24583	0.4
77.40906	0.4
79.05497	0.9
81.01859	0.3
81.03440	0.5
81.07062	1.1
91.05482	0.9
93.07053	0.6
95.08640	0.9
104.74039	0.5
105.07001	0.5
107.08608	0.5
109.06593	0.5
109.10150	0.4
119.08566	0.5
133.10165	0.6
145.10243	0.4
168.83479	0.4
179.31773	0.3
204.06590	0.6
231.31294	0.3
239.11749	0.4
314.13065	0.4
374.90179	0.4
377.17719	1.1
379.19223	1.0
391.19434	2.3
392.19995	1.8
393.20828	1.2
405.16458	2.9
405.21091	1.4
406.17731	1.0
406.22342	0.7
407.22574	6.3
408.23282	0.6
417.21225	0.5
418.17856	0.8
419.18134	4.6
419.23245	1.0
420.19214	2.8
421.20224	3.2
432.19522	0.7
433.16083	2.0
433.21039	4.6
434.21179	4.9
435.21863	11.5
436.22589	1.0
447.18185	3.1
447.22729	1.7
448.19098	1.6
449.19510	3.5
451.21268	0.7
459.21860	0.7
460.22891	0.8
461.19760	2.0
461.24319	0.7
462.20456	6.4
463.21216	5.1
464.22275	0.4
475.21365	3.7
479.20569	0.7
489.23090	2.3
493.26511	0.7
494.23123	0.6
505.21841	0.6
507.20621	0.6
517.22327	0.7
521.25763	9.9
522.25983	0.5
547.27185	1.2
549.25031	46.2
550.25360	1.4
565.27747	0.5
577.24426	1.0
581.27551	4.4
588.66071	0.4
593.27673	1.3
607.29352	1.5
609.27124	39.9
610.27570	1.3
653.29742	100.0
654.30267	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	653.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.1
53.03934	8.7
55.01869	7.2
55.05510	20.6
55.55848	1.9
57.03440	10.4
59.04982	4.3
61.02917	3.2
65.03926	6.9
65.21895	1.9
67.05507	100.0
68.02821	2.0
68.05811	3.6
69.03431	19.7
69.07072	13.4
69.42478	17.3
70.50961	2.1
71.04991	27.4
73.02928	3.5
78.72260	2.2
79.05495	40.8
81.03423	43.1
81.07062	62.9
81.62595	2.7
82.07393	3.2
83.01338	3.2
83.04967	9.5
83.08627	14.7
85.02902	16.7
85.06529	6.4
91.03971	2.1
91.05486	40.8
93.06483	3.2
93.07045	42.9
95.01337	9.3
95.04971	17.0
95.08057	2.8
95.08614	30.0
97.02911	20.7
97.06544	13.0
97.10162	7.0
98.20801	3.7
99.04441	6.2
103.04012	2.2
105.07036	35.5
107.04996	11.0
107.08600	25.1
109.02880	26.5
109.06499	9.1
109.10165	57.9
110.10474	5.3
111.04458	9.9
111.08079	8.0
111.67884	1.9
115.05545	3.1
117.07021	18.1
119.04966	2.1
119.07941	2.4
119.08589	26.9
121.02795	3.0
121.06499	7.5
121.10141	17.0
123.04427	5.7
123.08081	4.4
123.11719	5.0
125.09617	6.4
127.03914	21.6
128.06183	2.5
129.05568	2.2
129.06981	9.8
131.04918	7.2
131.08569	24.2
133.06482	6.2
133.10143	22.4
135.04443	3.8
135.08044	8.1
135.11722	10.0
137.09596	7.1
139.03889	5.8
139.11136	2.3
141.07018	3.4
143.08549	9.1
145.05038	2.1
145.06477	7.6
145.10132	20.8
147.04420	5.0
147.08064	5.6
147.11714	11.8
149.02356	4.7
149.05951	2.9
149.09612	9.8
149.13254	8.3
151.03925	8.7
151.11180	4.4
153.05510	2.3
154.94524	2.0
155.03397	16.5
155.10724	4.9
157.10118	7.1
159.11703	12.6
161.05984	3.0
161.09650	2.7
161.13248	2.8
163.03923	7.8
163.11252	6.5
165.05472	2.5
167.03432	16.9
169.05000	12.5
169.06203	2.1
169.10106	6.4
171.11693	9.3
173.05994	2.8
173.09602	2.6
173.10127	2.2
173.11769	32.3
173.13206	3.5
175.07570	2.5
175.11194	4.2
177.12779	5.9
179.03452	25.7
181.04962	6.4
181.10066	2.3
183.11740	3.4
185.04471	81.1
185.13289	2.9
187.03873	3.1
187.11148	2.9
189.05429	2.9
193.04980	5.4
195.02832	3.2
195.11810	2.5
195.13794	7.6
197.04460	50.2
199.06059	3.2
203.03362	9.1
203.07092	2.5
205.04939	5.5
207.06525	3.7
207.13736	3.0
209.04439	4.0
209.11697	2.3
211.05899	2.7
211.13255	3.1
212.01779	2.1
213.12799	2.0
213.14803	4.5
217.04980	3.9
219.06595	2.7
219.13710	3.9
221.04486	22.3
223.05988	5.4
225.07573	5.8
227.05463	3.3
227.12779	2.7
229.14398	7.5
230.14760	2.6
231.06454	2.8
235.06047	4.0
239.17982	4.7
251.05554	2.8
257.19064	6.3
261.14783	5.0
263.08957	2.5
265.10855	2.6
275.05438	5.8
275.20068	44.2
281.17310	4.8
285.14804	5.5
291.12335	4.7
299.15027	12.9
299.20129	2.7
301.10916	2.2
301.14249	4.7
303.12454	4.2
303.15860	15.0
305.13895	16.3
307.22629	4.4
317.13748	5.7
319.15472	20.2
321.16949	13.3
329.13849	2.8
339.18030	10.6
343.15219	6.5
347.14911	3.0
361.16440	14.9
383.22238	5.0
397.25851	5.0
398.26218	13.7
399.21707	13.6
401.23343	6.4
413.15366	2.4
417.22171	2.4
419.24124	13.4
423.27008	4.2
424.27655	5.0
427.17267	3.5
441.22571	9.8
445.18805	3.0
451.26950	4.1
455.29703	6.1
456.30515	16.7
459.23816	3.8
469.18839	2.5
473.28882	4.5
487.19400	8.0
505.20349	4.8
507.23987	4.6
509.19940	4.0
523.21625	17.2
562.10132	2.5
567.25543	4.5
585.27502	4.6
603.27509	9.3
635.30920	3.0
653.31610	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	653.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47190	2.1
50.75674	2.3
53.03949	11.3
55.01874	11.0
55.05263	3.4
55.05513	35.6
57.03439	12.9
60.82661	2.3
61.02929	3.5
65.03937	5.0
67.05507	78.9
69.03436	26.2
69.07073	22.1
71.01358	3.5
71.04997	25.9
71.25368	2.7
73.02913	5.3
77.03929	2.8
79.05495	70.5
81.03423	100.0
81.07062	79.6
83.01357	3.3
83.04986	24.1
83.08620	23.7
85.02907	26.0
85.06576	5.8
91.05485	73.6
93.07047	82.3
93.94350	2.5
95.01338	4.0
95.04977	33.9
95.08608	38.4
97.02881	21.6
97.06544	22.5
97.10189	18.2
99.04459	6.5
99.08116	3.6
103.03959	4.1
103.05472	3.0
105.04559	2.5
105.07034	62.2
107.04964	19.3
107.08597	35.7
109.02888	24.5
109.06530	14.0
109.10156	19.5
111.04496	11.9
111.08071	8.6
115.05473	4.3
117.07017	31.2
119.08583	41.2
121.02870	4.4
121.06523	17.0
121.10126	20.4
123.04422	8.6
123.06418	2.4
123.08092	8.5
123.11695	3.2
125.02366	4.3
125.06075	2.3
125.09641	8.4
127.03928	28.1
128.06219	2.7
129.05487	3.9
129.07008	28.0
130.07788	3.5
131.04922	6.1
131.08577	31.7
133.06537	7.7
133.10144	28.9
135.08058	9.2
135.11707	12.3
137.06041	5.8
137.09645	6.4
139.03928	7.0
141.06999	5.9
143.08569	17.4
145.04976	2.9
145.06502	9.6
145.10130	23.6
147.04468	4.5
147.08034	5.5
147.11699	30.3
149.02367	6.8
149.05988	4.4
149.09651	13.2
149.13251	8.1
151.03925	8.0
151.11214	6.5
155.03401	25.0
155.08522	6.8
157.06519	3.7
157.10126	16.6
159.04362	2.4
159.08110	5.8
159.11687	23.5
161.06020	3.5
161.09669	5.1
161.13249	10.9
163.03920	8.4
163.07578	4.3
163.11214	10.4
165.05507	2.6
165.12813	5.9
167.03429	19.3
167.08543	3.5
169.04982	10.7
169.06479	4.2
169.10173	5.9
171.11719	15.0
173.05992	5.7
173.09622	6.0
173.11752	3.5
173.13264	6.6
175.03859	2.3
175.07516	3.7
175.11224	10.2
175.39418	2.3
177.05371	2.6
177.12738	7.2
179.03384	29.5
181.04945	8.1
181.10136	2.9
181.12292	2.6
183.02969	4.3
183.11774	4.5
185.02808	4.3
185.04466	87.4
185.09544	4.2
185.13432	3.4
187.11162	5.4
189.05447	3.1
189.11197	4.3
189.12787	7.9
191.06963	2.9
193.04977	9.5
193.12314	19.7
194.85812	2.7
195.11856	3.0
195.13853	10.0
197.04443	41.4
197.06107	3.1
197.13364	3.1
199.05988	3.7
199.11142	2.6
199.14818	2.9
201.12564	2.9
203.03459	16.2
205.04916	5.5
207.06543	2.6
207.13846	10.5
209.04480	6.4
211.06009	3.1
211.13217	18.9
213.12744	3.3
213.14697	3.6
219.06587	4.8
219.13828	5.6
221.04449	38.1
223.06038	6.2
225.07564	4.7
225.12863	4.1
227.12691	3.2
229.04922	2.9
229.19496	3.8
231.13741	2.9
233.04495	5.4
233.15469	3.3
235.06139	6.3
235.16988	2.4
239.17928	4.2
243.06612	2.9
251.05402	5.0
257.15717	2.5
257.18994	11.2
259.06146	3.3
261.07648	2.5
261.14838	6.3
267.13470	3.3
267.15930	15.0
275.05539	5.4
275.16925	5.1
275.20044	50.9
277.14487	3.7
281.17514	41.2
285.14542	5.6
287.12888	2.7
289.10675	3.0
289.17694	2.4
293.21170	3.8
299.15039	3.7
301.14355	10.5
303.12665	4.9
303.15851	16.9
305.13821	11.0
307.22571	9.0
315.15668	2.6
317.13959	8.9
319.15347	26.6
321.16937	17.6
339.18103	13.7
343.15323	10.9
347.14908	4.5
359.14871	3.2
361.16592	14.3
363.23203	3.3
377.16217	3.2
381.24274	4.0
383.22180	7.3
399.21497	12.4
401.23157	5.0
417.22772	3.6
419.24356	10.1
427.17566	6.8
429.21234	7.6
433.25949	4.5
441.22650	14.0
451.26788	5.8
455.27792	5.7
459.23575	3.4
463.19598	3.5
469.18759	4.4
473.29022	47.3
487.19562	12.1
491.30029	22.2
505.20526	4.4
507.23917	3.3
509.20294	3.7
523.21710	31.3
585.26978	4.5
603.27960	10.5
635.34033	25.8
653.35730	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27083	5.2
53.03963	8.7
55.01893	4.9
55.05516	36.7
57.03447	7.4
57.92567	4.9
59.79492	5.2
65.03954	7.4
67.05516	86.6
68.51655	5.8
69.03445	37.7
69.07076	32.4
71.05001	14.7
79.05512	63.2
81.03443	45.3
81.07069	100.0
83.04986	24.8
83.08630	22.2
85.02909	21.3
85.06535	9.2
90.02599	5.0
91.05505	54.4
93.07055	80.2
95.04983	17.7
95.08621	89.4
97.02893	15.0
97.06546	14.0
97.10158	8.2
99.04484	10.1
105.07053	61.4
107.08620	38.8
109.02907	14.4
109.06523	13.1
109.10179	28.6
111.04494	9.4
111.08110	7.3
117.07040	24.8
119.08599	52.9
121.10158	45.9
123.11715	14.2
127.03947	11.5
129.05478	6.0
129.07050	21.2
130.07829	6.0
131.08585	47.9
133.10159	44.5
135.08047	9.3
135.11711	22.3
137.13304	6.9
141.06964	8.6
143.08568	9.2
145.10139	35.7
147.08107	8.8
147.11720	23.4
149.13271	15.0
151.07523	10.5
155.08701	7.9
157.10153	15.2
159.11723	26.3
161.09688	6.4
161.13258	37.4
163.14809	6.7
167.08545	7.1
169.10193	8.2
171.11717	12.5
172.14476	5.5
173.13312	24.2
179.14282	47.0
183.11696	10.3
185.13318	14.3
187.11189	7.0
187.14839	10.2
197.15398	17.7
233.15578	6.0
259.20468	6.0
261.22244	10.8
273.22104	9.7
275.23859	7.8
277.21655	9.6
291.23077	6.3
301.21628	5.9
303.23227	16.7
305.17453	7.9
319.23016	8.4
341.24881	13.5
345.24191	6.6
351.23242	13.6
369.24265	40.5
387.25320	55.4
405.26416	44.6
423.27521	14.9
433.52585	6.9
440.60858	6.3
482.36374	8.2
654.40881	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	655.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24503	0.2
54.17799	0.2
55.01873	0.2
57.03441	0.3
63.02388	0.8
65.03958	0.2
68.68284	0.2
68.99801	0.4
70.57380	0.3
70.57734	0.5
71.01357	0.9
75.30379	0.2
78.04713	0.6
81.03432	0.3
81.07048	0.3
85.02915	1.4
89.03924	10.8
91.05492	1.0
93.07041	0.3
93.08089	0.2
95.04984	0.4
103.05465	0.6
106.04168	0.8
111.00789	0.3
111.20606	0.2
112.18626	0.2
113.02393	0.4
117.03391	30.4
119.04951	0.7
121.02831	0.4
121.06554	0.2
121.60127	0.2
124.05238	0.5
127.55660	0.2
129.04480	0.2
131.04941	0.8
134.03648	2.2
135.04430	1.6
137.02338	0.5
143.04987	0.2
145.02858	64.5
146.03227	0.4
147.04431	2.2
149.05994	9.5
153.01852	0.7
155.04860	0.3
157.06436	0.3
158.06046	0.5
159.02887	0.2
159.04372	0.2
160.05418	0.2
161.05980	0.9
162.03163	0.2
162.06769	3.0
163.03905	0.8
163.07581	0.4
164.04671	0.4
165.01859	0.5
169.06538	0.3
172.05203	0.3
175.03943	0.7
175.07561	0.5
177.05482	100.0
178.05867	0.3
183.02882	0.2
185.04572	0.2
185.05998	0.3
186.05486	1.4
187.07504	0.3
189.05440	1.3
190.06310	0.5
191.07024	0.7
195.06554	1.5
199.03918	0.2
199.07625	0.3
200.04807	0.2
201.05469	1.0
203.03604	0.2
203.06998	0.8
204.07777	1.0
205.05002	1.1
207.06581	1.0
214.06171	0.2
215.07082	0.8
217.04999	0.5
219.06554	0.5
227.07077	0.4
229.05003	1.0
231.06555	0.8
232.07346	2.1
233.08195	0.3
239.03391	0.3
243.06570	0.6
245.08188	0.2
246.68864	0.2
250.51636	0.2
255.06528	0.2
257.04483	0.5
260.06815	18.4
261.07578	1.2
271.06015	1.0
273.07605	1.1
274.04752	0.3
285.03870	0.4
287.05484	0.3
289.07166	1.0
291.08612	1.2
299.05551	1.1
303.05017	25.1
304.05396	0.3
317.06528	0.5
329.58273	0.2
335.07645	2.2
353.08722	8.2
451.60712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
53.03949	0.6
55.01881	0.3
55.05509	0.5
57.03439	0.4
61.02933	0.3
63.02351	1.0
67.05502	1.7
68.25600	0.2
68.99823	0.3
69.03420	1.2
69.07070	0.5
70.06606	0.3
70.10310	0.4
70.10698	0.4
71.01366	0.8
71.04999	0.5
73.02923	0.3
78.04715	0.5
79.05488	1.5
81.03420	2.0
81.07063	1.1
83.04980	0.4
83.08598	0.3
85.02904	2.2
85.06552	0.3
86.09715	0.4
89.03922	12.7
89.87970	0.2
91.05477	2.5
93.07056	1.3
95.04977	1.2
95.08626	0.5
97.02892	0.8
99.04453	0.3
101.02349	0.2
103.05492	0.5
105.04551	0.2
105.07027	0.7
106.04183	0.7
107.04958	0.5
107.08611	0.6
109.02886	0.3
109.10139	0.9
111.00813	0.2
111.04452	0.4
111.08083	0.3
113.02378	0.4
117.03385	30.4
117.07032	0.4
118.03724	0.3
119.04930	1.7
119.08599	0.5
121.02869	0.3
121.06508	0.6
121.10140	0.4
123.04414	0.4
124.05214	0.4
127.03930	0.8
127.89478	0.2
128.06219	0.2
129.04532	0.2
129.06998	0.4
131.03438	0.2
131.04945	0.6
131.08580	0.7
133.06436	0.2
133.10150	0.5
134.03638	2.5
135.04443	2.6
135.11690	0.4
137.02338	1.2
137.06062	0.4
145.02852	64.5
146.03285	0.3
147.04413	6.4
147.11774	0.2
149.02365	0.2
149.05994	9.0
149.09619	0.3
153.01834	0.7
157.10152	0.2
158.06000	0.5
159.02847	0.2
161.05956	0.4
162.06761	1.9
163.03917	5.9
163.07564	0.2
163.11168	0.5
164.04672	0.3
165.01813	0.3
165.09119	0.4
167.03474	0.3
167.05034	0.2
173.05962	0.2
175.03908	0.4
175.07574	0.5
175.11179	0.2
177.05476	100.0
178.05855	0.4
179.03362	0.3
185.04492	0.6
186.05476	2.3
187.07523	0.2
189.05560	1.1
191.07050	0.6
191.10696	0.3
193.12238	0.3
195.04980	0.2
195.06474	1.2
197.04285	0.3
201.05511	0.8
203.03287	0.2
203.07014	0.7
204.07782	0.4
205.04918	0.6
207.06516	0.6
209.11682	0.6
211.02351	0.2
211.13249	0.3
215.07037	0.5
217.04926	0.3
219.02783	0.2
219.06596	0.4
221.04393	0.9
229.04868	1.0
229.14368	0.8
231.06476	0.5
232.07317	1.6
233.08200	0.3
237.04010	0.5
240.82800	0.2
243.06517	0.3
245.08054	0.2
247.06104	0.3
257.04416	0.5
260.06812	11.8
261.07495	0.7
262.14063	0.2
267.15967	1.0
271.05939	0.6
273.07666	0.9
274.04947	0.2
275.05048	0.3
283.15384	0.4
287.05334	0.4
289.07065	0.7
291.08713	1.1
299.05487	0.9
303.05005	23.2
304.05161	0.3
305.06482	1.1
307.07974	0.4
309.09631	0.3
317.06534	0.6
325.09125	0.4
335.07614	1.1
347.07669	0.8
353.08643	3.9
421.25705	0.7
475.26691	0.7
493.27798	0.4
510.57498	0.2
637.32111	0.4
655.32013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77711	0.2
55.05503	0.4
60.07036	0.2
67.05486	0.5
69.07076	0.3
70.97108	0.4
75.04496	0.5
79.05494	0.5
81.07073	0.5
83.05003	0.3
91.05497	0.3
93.07045	0.3
95.08609	0.2
97.10189	0.2
105.06984	0.2
109.10162	0.2
119.08611	0.4
121.10091	0.2
133.10136	0.3
240.01251	0.2
291.19617	0.8
377.17853	0.4
390.18466	0.3
391.19519	0.9
392.19830	0.5
393.20770	0.5
404.19958	0.2
405.16467	1.7
405.21658	0.4
406.17661	0.6
406.21713	0.7
407.17682	0.3
407.22406	4.3
418.17975	0.6
419.18301	3.2
420.19043	1.5
420.24280	0.3
421.19867	1.4
432.19302	0.5
433.15552	0.5
433.20761	4.6
434.21066	4.0
435.21832	7.7
436.23154	0.5
446.21283	0.6
447.17947	1.6
447.22260	1.6
448.18961	1.1
449.18726	1.6
451.21130	0.5
461.19727	1.7
461.24393	0.7
462.20374	4.3
463.21246	4.8
464.22513	0.3
465.23370	0.4
473.23517	0.2
475.21048	1.6
476.22366	1.3
477.23151	1.5
478.23776	0.5
479.20047	0.9
481.25763	0.3
489.22842	1.2
490.23499	0.3
493.21918	0.6
493.26486	0.6
494.23102	0.2
495.23694	1.0
505.22165	0.4
506.23010	0.4
507.19214	0.4
507.24329	0.8
508.24802	1.9
509.25412	1.9
521.25745	10.9
522.26080	0.2
523.27478	0.3
533.21832	0.3
534.24420	0.2
535.26935	0.7
547.27124	0.3
548.23199	0.3
549.24988	17.3
550.24976	0.6
552.23657	0.3
553.23639	0.9
563.26520	3.2
564.27228	0.8
567.26294	0.3
577.24384	0.5
580.26440	0.4
581.27686	3.2
594.27960	0.2
595.29315	10.6
596.29596	0.5
607.29205	0.7
609.27069	11.8
610.27472	0.3
623.28741	1.3
627.31128	0.3
637.40833	0.3
655.31256	100.0
656.31390	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05314	0.5
55.05513	5.4
57.03438	4.5
57.07080	35.3
61.02647	0.7
61.02931	8.5
64.93027	0.5
65.03934	0.5
67.05178	0.8
67.05508	11.5
69.03407	1.9
69.07072	8.1
71.04983	1.0
71.08637	29.0
71.52535	0.7
73.02908	3.5
75.04465	2.1
79.05510	3.1
81.03410	2.0
81.06589	1.0
81.07062	17.1
83.04986	0.7
83.08153	0.8
83.08622	10.9
85.02912	10.6
85.06557	0.8
85.10186	16.4
89.06036	1.2
91.03963	7.9
91.05492	3.5
93.07069	2.7
95.04957	1.2
95.08611	22.9
97.02898	5.2
97.06535	0.5
97.10174	6.3
99.11710	1.3
103.07591	1.0
105.07051	2.6
107.08578	2.4
109.06506	0.7
109.10162	10.3
111.11723	1.3
115.03957	0.8
117.07020	1.9
119.08582	2.0
121.10140	0.7
123.11732	5.3
125.09641	0.6
125.13240	0.9
127.03928	2.8
127.14879	0.7
129.07014	1.3
131.08575	2.3
131.81723	0.5
133.10120	1.5
137.13225	2.3
139.14899	0.5
140.10036	0.5
143.08568	1.6
145.04973	4.6
145.10103	2.3
151.14793	1.1
157.10121	0.8
159.11728	1.0
163.06032	6.9
169.10086	0.6
171.11652	0.8
221.22733	1.4
221.24840	0.8
228.87915	0.6
239.23709	23.9
244.21701	0.6
257.24750	4.5
269.17245	0.6
273.18411	2.0
275.25977	0.6
291.19574	3.6
298.27441	0.7
313.27374	100.0
314.27655	1.2
331.28427	17.6
347.21991	0.9
349.14499	0.8
365.23297	0.9
475.32874	3.1
497.62186	0.6
637.40649	1.5
655.27368	2.2
655.39972	1.6
675.67474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71293	0.7
53.03935	2.2
53.57211	0.6
55.01872	3.5
55.05273	1.2
55.05513	16.7
57.03425	2.4
59.04980	1.1
60.48841	0.6
61.02911	2.7
65.03918	1.1
67.05183	1.4
67.05510	18.1
69.03438	5.2
69.07076	5.2
71.05004	1.7
73.02925	1.7
79.05078	1.1
79.05494	16.6
81.03421	5.1
81.07065	15.1
82.07387	0.7
83.04971	2.6
83.08620	11.4
84.08944	0.8
84.92779	0.7
85.02895	4.1
85.06532	1.4
91.03976	1.2
91.04907	0.8
91.05482	14.3
92.72573	0.7
93.07046	9.3
95.04972	3.0
95.08616	6.8
97.02889	3.1
97.06529	1.8
97.10176	22.0
103.05465	6.1
105.03434	0.7
105.07031	12.4
105.79283	0.7
107.04943	2.4
107.08597	11.9
109.02893	1.8
109.06514	2.3
109.10158	4.4
111.04433	1.0
111.08082	1.7
115.05460	2.7
117.07020	18.0
119.08566	6.6
121.06483	2.5
121.10122	2.6
123.08093	1.7
125.08762	1.5
125.09636	19.7
125.10545	1.0
127.03912	2.2
128.06221	2.2
129.05556	1.0
129.07011	9.2
131.04932	1.1
131.08577	14.1
133.06487	2.2
133.10117	3.4
135.08034	5.2
135.11717	1.1
141.06993	4.0
142.07748	0.9
143.08568	5.2
143.10709	1.2
145.06477	5.4
145.10101	3.8
147.08073	2.0
147.11676	2.0
149.06001	0.8
149.09615	2.2
152.14363	1.0
152.96901	0.9
153.09111	2.6
155.08577	4.9
155.10629	0.8
157.06548	2.0
157.10159	2.1
159.08040	2.1
159.11732	2.0
165.07033	0.9
167.08578	3.4
169.06450	0.9
169.10152	3.2
171.08055	2.0
171.10219	1.5
171.11723	3.3
173.09642	1.3
173.13261	1.5
175.11104	1.0
179.08549	1.4
181.10114	1.5
183.08090	1.3
183.11711	1.5
185.09726	1.2
185.13290	1.2
187.11221	0.8
187.13358	0.8
187.14815	4.2
189.11220	10.2
193.09998	1.0
193.12076	0.9
195.08020	0.9
195.11716	1.9
197.09703	1.3
197.13287	5.7
199.11185	1.2
205.10254	1.2
207.11774	0.9
209.13304	1.7
213.12814	2.0
215.14333	15.1
221.13362	1.5
227.12726	11.6
227.14543	1.1
233.15424	2.5
237.12747	0.9
239.14175	0.9
245.13863	1.6
257.15308	1.6
271.17001	1.1
273.15054	1.0
277.15994	0.9
289.17896	1.3
305.15329	1.1
321.22214	0.9
323.16425	1.1
339.23239	1.0
349.21588	2.9
367.22693	7.2
385.23819	4.7
389.18231	1.2
403.24796	3.0
441.26364	32.3
442.26099	0.9
459.27426	100.0
460.27914	1.9
477.28516	22.9
501.28732	1.1
511.27197	1.0
567.29779	4.7
585.30334	3.5
603.31885	4.7
621.32635	2.9
638.35724	1.1
657.34729	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	656.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01872	4.5
55.05518	48.3
55.93029	2.6
57.03437	12.5
57.07086	23.0
67.05183	4.9
67.05513	67.8
69.06731	4.3
69.07076	58.5
71.05000	5.3
71.08632	13.6
79.05502	26.2
81.07068	47.5
83.08629	45.1
85.06539	3.1
85.10191	5.4
87.31678	2.8
89.03642	2.4
91.05495	14.2
93.07058	34.0
95.04980	4.2
95.08622	26.8
97.06533	11.3
97.10186	36.7
105.07034	17.1
106.53001	2.4
107.04894	3.8
107.08606	25.1
109.06519	6.1
109.10170	36.5
111.08097	4.3
111.11702	9.0
117.07074	4.6
119.08584	13.5
121.10179	12.4
125.09631	10.4
131.08533	4.5
133.10141	11.8
135.11705	6.4
136.94235	2.9
137.09705	3.4
145.10135	8.0
147.11668	4.8
149.09659	5.6
149.13260	8.6
155.10712	2.7
159.11708	7.2
163.11171	5.2
173.11696	7.2
175.28697	2.8
189.11238	4.5
189.12772	4.3
227.12808	11.4
229.14351	24.7
257.19119	5.2
269.17502	19.9
275.20053	26.6
293.21063	3.8
311.25845	100.0
349.23782	17.4
367.24783	13.2
465.35983	24.1
467.36667	12.8
481.35150	3.8
505.38947	60.1
585.45123	33.6
603.46240	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	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	4.3
53.03933	1.8
55.01865	1.1
57.03422	1.4
61.02916	2.0
65.03930	1.6
66.77131	0.5
67.05495	1.2
69.03432	27.9
69.38794	1.4
69.39208	2.5
70.06587	1.1
71.01349	1.8
71.04983	1.6
73.02895	0.6
81.03424	8.4
83.01358	0.7
83.99731	0.5
85.02908	22.2
86.09702	0.6
91.05487	14.0
93.03407	0.6
95.04961	2.1
97.02899	20.6
97.03527	1.1
99.00819	26.4
99.04457	6.0
107.04228	0.7
107.04956	18.7
109.02883	46.2
110.03165	0.5
111.04456	0.7
117.01826	2.5
118.18351	0.5
119.04949	23.7
120.05740	1.2
121.02852	3.4
123.04407	0.8
125.02380	1.2
126.22815	0.5
127.03922	32.2
128.29333	0.5
136.01498	0.9
139.03940	3.6
143.03445	1.7
144.05769	0.7
145.02832	0.6
145.03911	0.9
145.04953	10.5
145.06430	2.3
147.04422	4.2
149.02367	6.7
161.05994	0.9
163.03897	1.1
165.07011	0.8
167.01988	1.0
167.03409	19.7
167.08554	1.4
170.01807	0.5
173.05911	0.5
175.03864	0.5
177.05501	0.9
177.06987	1.1
183.02917	1.5
185.04463	100.0
186.04787	0.6
191.03413	0.7
191.08578	1.0
194.07214	0.5
195.02901	4.8
195.08105	2.0
197.04463	0.8
203.03279	0.6
209.04471	6.5
209.09673	0.6
212.08321	1.7
213.09119	30.2
219.08122	1.2
221.04285	0.7
223.07603	1.6
225.03941	7.4
229.07507	0.5
237.09157	5.9
243.05025	7.5
247.07512	2.5
251.05365	0.8
261.06061	18.5
263.05441	0.9
265.08575	5.1
275.05508	0.5
283.09610	1.5
293.08093	4.2
311.09140	9.6
319.04596	0.6
319.60870	0.5
329.10269	0.9
455.13428	0.8
513.21088	0.5
656.99878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12754	0.2
51.02389	0.2
56.57142	0.2
60.47285	0.2
61.02941	0.3
61.16396	0.2
65.03939	1.1
69.03436	7.0
70.06609	0.4
70.17770	0.2
71.01363	0.2
71.52885	0.3
72.08167	0.3
73.61978	0.2
79.05491	0.2
81.03412	0.2
85.02918	0.7
86.09728	0.4
91.05489	5.2
91.06016	0.4
92.14476	0.2
93.03426	0.2
97.02901	1.1
99.04420	0.2
107.04975	0.2
109.02910	0.6
111.04469	0.2
119.04954	15.7
121.02871	1.3
123.04420	0.3
127.03934	3.6
135.04453	0.5
136.01604	0.3
139.03888	1.2
143.03453	0.3
145.02917	0.3
145.05022	0.2
147.04422	100.0
148.04745	0.6
149.02347	2.4
163.03918	1.8
165.05438	1.0
167.03419	7.3
177.05461	0.2
180.57271	0.2
185.04471	38.4
197.04559	0.2
201.05544	0.2
209.04460	1.3
223.91278	0.2
231.06541	0.4
246.05258	0.5
247.06009	0.6
264.15244	0.2
291.08655	5.5
309.09711	10.6
311.07584	0.2
319.04510	1.4
334.38913	0.2
339.06955	0.3
539.55371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3122
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
53.03942	15.2
55.01870	10.1
55.05511	26.7
56.76259	3.2
57.03434	13.6
57.07057	3.5
59.04982	5.2
59.17278	2.7
61.02916	10.5
62.43587	2.9
63.15886	2.8
65.03949	2.8
67.05512	100.0
68.99426	2.9
69.03431	27.3
69.07070	23.1
69.23187	2.8
70.40881	9.6
71.04993	10.9
73.02890	5.6
79.05503	51.8
81.02941	4.2
81.03421	67.9
81.06590	5.3
81.07068	98.5
82.07359	3.6
83.05001	16.9
83.08631	21.2
85.00880	3.0
85.02911	26.8
85.06535	8.3
87.04466	4.7
91.03954	4.9
91.05484	48.2
93.07057	54.1
95.05003	16.2
95.08621	37.2
97.02897	28.4
97.06551	15.9
97.10174	13.2
97.96203	2.9
99.04452	10.1
101.02317	3.6
105.07037	40.4
107.04950	12.4
107.08614	37.4
109.02881	21.3
109.06518	9.2
109.10175	51.2
111.04440	11.8
111.08091	4.6
117.07018	22.9
119.08597	32.1
121.02888	6.1
121.06514	7.6
121.10165	24.3
123.08057	6.5
123.11697	9.9
125.06065	3.9
125.09678	14.4
127.03939	28.7
129.05464	4.0
129.07005	11.2
131.08620	20.0
133.06523	5.3
133.10178	21.2
135.08078	5.6
135.11739	18.9
137.09615	5.2
139.03928	4.1
143.08585	5.4
145.05063	5.6
145.06429	4.3
145.10158	19.1
147.08002	5.5
147.11678	16.3
149.09666	8.4
149.13257	18.4
151.03880	3.6
151.11206	5.7
155.03493	4.7
155.08597	7.5
155.10600	6.1
157.10155	5.5
159.08104	3.6
159.11716	10.9
161.13330	4.7
163.11200	10.1
165.12747	4.5
167.03387	11.4
171.11732	3.8
173.04434	7.4
173.05931	4.0
173.09526	3.6
173.11763	27.3
173.13213	7.2
175.11195	5.3
177.12746	5.6
179.03470	5.2
185.04474	53.0
185.13310	4.0
187.14819	4.1
189.11174	4.7
193.12253	9.5
195.12201	2.9
195.13739	16.3
197.04503	10.5
209.11740	8.9
211.13264	5.9
213.14850	7.4
221.04518	4.1
227.12801	8.7
229.14400	9.6
231.09605	3.5
257.18854	3.8
267.15961	15.9
269.17487	13.5
275.20096	22.1
283.15372	12.9
285.16980	10.1
291.12186	5.3
293.21011	7.5
299.14844	15.6
301.16452	5.7
339.17865	5.9
367.22510	3.5
383.43781	3.3
395.20712	3.5
409.18594	3.5
419.24310	8.1
423.27542	6.9
437.25195	5.5
459.27655	11.2
460.27936	8.7
463.30603	4.0
477.28479	26.8
495.29572	12.1
520.47736	4.2
603.31201	3.4
607.34821	5.1
621.32050	6.4
629.37085	3.7
639.33508	11.4
657.35931	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.4
55.01874	4.2
55.05516	17.9
56.69603	1.2
57.03441	10.2
57.07067	3.9
59.05017	1.5
65.03934	2.1
67.05508	71.2
69.03432	12.4
69.07072	18.3
70.13799	5.0
71.04176	2.2
71.05000	26.6
74.32411	1.3
79.05499	35.7
81.02991	2.1
81.03429	29.9
81.07061	100.0
83.04985	14.1
83.08634	14.6
85.02908	9.9
85.06548	8.0
85.25208	1.2
87.04440	1.3
91.05485	33.7
93.07048	42.1
95.04948	7.0
95.08613	22.1
97.02898	7.5
97.06524	11.1
97.10183	5.0
99.04469	5.0
99.08124	1.4
105.07037	18.1
105.74616	1.1
107.04954	3.0
107.08606	25.2
109.02895	7.0
109.06529	4.7
109.10156	14.8
111.04444	5.1
111.08079	5.1
117.07020	10.1
117.97808	1.2
119.08605	7.5
121.06527	3.3
121.10137	11.3
123.11726	12.6
125.09642	4.2
127.03911	5.7
128.06236	1.4
129.05505	6.0
129.07001	3.6
131.08571	11.0
133.10136	23.5
135.08057	2.2
135.11697	10.9
143.08528	1.6
145.10150	2.5
147.11739	5.8
149.02344	2.6
149.09660	2.3
149.13266	15.0
151.11211	8.0
157.10201	2.1
159.11739	11.2
163.11237	1.7
165.12709	2.6
169.12201	2.2
173.04507	9.2
173.11830	2.3
175.11189	2.3
177.12779	7.5
183.13855	2.9
185.04605	1.3
187.13338	8.8
193.05055	3.1
195.13828	14.7
201.14897	3.5
211.13310	1.3
213.14746	2.7
219.13670	1.3
225.14873	1.9
229.14328	6.1
243.15990	3.3
253.14644	1.4
253.17900	1.7
257.17480	2.8
267.15976	1.9
269.17511	25.6
273.18500	1.7
275.20279	1.7
283.18991	2.2
291.19669	3.1
303.15805	2.1
339.18137	4.7
377.19650	2.7
385.09195	3.0
395.20581	2.2
413.21887	3.1
423.27237	1.9
437.29004	37.8
445.24280	7.0
445.29620	2.2
449.19705	3.6
451.30563	4.7
463.24234	2.6
463.30582	38.8
477.32291	1.7
495.33273	39.7
509.21985	1.6
537.24573	2.1
553.24152	1.7
571.32300	1.8
596.26105	3.2
597.26154	2.2
607.34802	19.7
621.36084	1.7
625.35760	1.7
639.27417	2.3
639.37231	26.8
657.28754	20.9
658.35547	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	657.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
53.94675	1.1
55.01867	4.8
55.05518	15.5
57.03452	8.8
57.07059	1.2
59.04993	1.8
65.03934	3.1
67.05512	69.6
69.03439	7.7
69.07076	17.5
70.09911	1.9
70.10310	2.9
71.05007	20.9
71.08637	1.7
73.02866	1.2
79.05501	30.6
81.03431	24.6
81.07067	100.0
83.04996	11.7
83.08642	10.5
85.02908	5.2
85.06557	8.2
88.34978	1.1
91.05489	27.1
93.07053	44.8
95.04979	6.6
95.08627	15.9
96.34580	1.0
97.02916	7.6
97.06541	10.4
97.10151	3.3
99.04476	3.7
99.08128	1.5
105.07040	14.0
105.40293	1.3
107.04951	2.8
107.08608	27.5
109.02882	3.9
109.06527	4.0
109.10166	9.2
111.04450	3.8
111.08065	4.8
117.07035	10.4
119.08619	7.0
121.06505	1.7
121.10154	15.1
123.08099	1.5
123.11742	11.9
125.09646	2.1
127.03939	5.6
129.05487	4.8
129.07007	1.7
131.07007	1.2
131.08595	9.7
133.10141	15.9
135.08060	2.5
135.11714	7.4
145.10146	1.3
147.11697	4.1
149.13275	24.0
151.11195	6.1
157.10025	1.2
159.11732	13.0
163.11258	1.1
169.12164	1.4
173.04451	7.6
175.11206	2.5
177.12756	5.2
182.78108	1.1
187.13321	6.3
193.12338	2.6
194.46771	1.2
195.13815	10.0
201.14838	2.3
211.13232	1.2
213.14841	2.4
225.14778	2.3
229.14342	2.4
243.16010	1.3
257.17310	1.6
267.15912	1.2
269.17505	31.3
277.94693	1.3
283.18958	1.4
292.01907	1.2
339.18027	2.5
349.17642	1.2
377.19904	1.3
381.23834	1.2
395.21063	2.3
413.21912	3.6
437.22922	1.7
437.29071	43.8
445.24472	8.4
451.30936	5.7
463.30615	89.5
464.31027	1.6
495.33218	19.3
559.35608	1.5
589.33521	1.8
607.35022	13.0
639.37256	20.9
657.27710	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	658.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01872	3.5
55.05511	10.1
55.75691	1.5
57.03429	4.7
58.97486	1.6
61.02918	7.1
67.05509	27.0
69.03421	5.3
69.07075	9.1
70.79931	4.4
71.04980	3.2
73.02926	4.2
75.81763	1.5
77.36006	1.5
79.05499	21.8
80.05839	1.8
81.03424	8.0
81.07061	29.6
83.04958	4.0
83.08611	5.8
84.03061	1.7
85.02913	9.5
88.77649	1.4
90.42188	1.9
91.03957	3.4
91.05489	21.0
92.05875	1.6
93.07046	22.9
95.04974	5.1
95.08626	15.9
97.02889	6.0
97.06533	4.7
97.10164	3.8
105.07023	17.4
107.04951	4.9
107.08589	11.6
109.06528	2.0
109.10188	7.7
110.72677	1.6
111.08064	2.9
115.05381	2.1
117.07044	17.7
119.08604	12.8
120.61691	1.5
121.06538	4.5
121.10135	5.5
123.08043	3.9
125.09698	2.7
127.03876	2.3
128.06216	2.2
129.07005	19.8
131.08557	20.0
133.06479	3.6
133.10123	7.7
134.10434	1.9
135.08034	2.3
135.11717	4.3
141.06979	7.9
142.07808	3.5
143.08548	13.9
145.06470	3.4
145.10110	12.2
147.08038	4.6
147.11649	4.8
149.09602	4.6
154.02568	1.8
155.08528	11.0
157.06520	2.0
157.10081	10.1
159.08046	4.7
159.11705	6.6
161.09494	2.1
162.60620	1.9
163.11191	2.6
165.07051	2.9
167.08524	5.1
169.10161	9.6
171.08051	2.0
171.11674	5.4
173.09639	2.1
177.12657	2.4
179.08562	3.3
180.09312	2.0
181.10139	7.5
183.11650	4.1
184.07291	2.8
185.13225	4.9
187.11194	2.1
193.10083	3.7
195.11678	6.1
195.13527	1.7
197.13300	6.1
199.14853	3.0
205.10130	2.3
207.11775	3.4
209.13232	3.5
211.14902	3.1
213.12721	2.2
215.14320	2.7
221.13275	4.1
223.14832	4.6
239.14374	3.7
248.48524	2.0
257.15399	1.6
268.16403	2.4
269.17542	3.6
271.16934	3.0
323.23651	4.1
333.22217	4.3
341.24548	3.7
351.23148	18.9
369.24207	14.4
387.25546	8.5
425.26862	5.7
443.27960	93.9
444.28189	2.5
461.29028	100.0
462.28864	4.9
479.29358	2.4
496.31247	2.2
569.30536	2.1
587.32587	2.4
605.33002	3.4
623.34021	10.7
640.33386	2.0
658.35052	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	660.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05511	4.2
57.03444	4.8
57.73510	0.5
59.05006	0.6
61.02925	7.2
67.05506	23.4
69.03419	2.0
69.07082	3.3
69.68742	2.9
70.06588	1.0
71.04999	8.2
73.02933	2.5
77.41636	0.5
79.05494	8.5
80.15965	0.5
81.03432	2.6
81.07057	37.4
83.04990	2.4
83.08624	4.9
85.02912	10.2
85.06544	4.2
86.09692	0.6
87.04465	0.9
91.03967	5.6
91.05484	9.5
93.07043	19.0
95.04953	2.2
95.08607	6.1
97.02906	4.6
97.06530	4.9
97.10151	1.2
99.04437	1.2
99.08099	2.5
105.07017	3.0
107.08587	7.4
109.02886	0.6
109.06517	1.6
109.10135	2.2
111.08047	2.0
117.07034	4.8
119.04953	0.5
119.08562	1.1
121.06480	1.1
121.10127	2.4
123.11708	5.4
127.03908	2.3
129.05492	0.9
131.08546	5.3
133.10139	9.7
135.08018	0.7
135.11697	3.9
139.11118	0.7
145.04950	2.8
147.04393	2.3
147.06271	0.6
147.11664	0.6
149.13260	11.4
151.03995	0.5
151.07524	0.6
151.11186	4.4
159.11697	20.4
161.13258	2.6
163.06013	3.5
169.12224	1.5
177.12752	24.2
179.03342	0.5
179.14307	6.2
183.13815	0.6
185.04597	0.5
185.13426	0.6
187.13278	4.3
195.13788	5.4
196.00121	0.5
213.14789	1.0
233.15094	0.6
243.15923	23.2
251.16470	10.0
257.17474	2.1
264.45871	0.5
269.17480	100.0
281.25748	0.5
301.20102	26.2
301.23569	1.3
311.34186	0.6
345.14252	0.5
387.20108	0.7
395.20578	0.9
413.21542	1.5
445.24377	24.4
455.48911	0.6
463.25085	1.5
642.26788	1.3
686.37244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
53.48340	0.3
55.01883	0.7
55.05268	0.4
55.05516	5.6
57.03444	3.2
57.07065	0.5
61.02918	2.1
64.11527	0.4
65.03929	1.1
67.05508	24.2
69.03421	1.0
69.06728	0.5
69.07072	7.4
69.51921	0.9
69.52327	1.1
70.90737	0.3
71.05002	1.8
73.02926	0.7
76.45886	0.3
79.05496	14.4
81.03414	1.2
81.07059	30.7
83.04977	2.9
83.08624	6.8
85.02921	1.7
85.06557	1.9
91.03953	1.0
91.04558	0.4
91.05483	9.7
93.07046	21.4
95.04964	1.8
95.08606	8.5
97.02888	0.9
97.06532	4.5
97.07535	0.3
97.10149	0.9
98.05820	0.4
99.04416	0.4
99.08104	1.2
102.11985	0.3
105.07026	5.4
107.04982	0.7
107.08598	13.5
109.06516	0.8
109.10163	2.3
111.08097	2.7
117.07019	4.7
119.08575	2.2
121.06541	1.0
121.10142	6.7
121.10944	0.7
123.11732	2.4
125.09684	0.5
128.06288	0.4
129.07025	0.9
131.08562	5.8
133.10133	7.0
135.08070	0.8
135.11699	4.0
138.78981	0.3
139.11147	0.4
140.57930	0.4
141.07011	0.4
143.08591	1.4
145.10077	2.0
147.08037	0.4
147.11682	1.3
149.09654	0.6
149.13260	10.2
151.11214	0.7
155.08601	1.1
157.10156	1.1
159.11697	5.7
167.14336	0.6
169.10104	0.8
171.11699	1.2
173.13330	0.5
177.12683	2.1
183.11778	0.8
195.11893	0.7
195.13806	5.9
197.13374	0.5
213.14903	1.0
225.16478	0.4
240.74852	0.4
251.16422	1.8
269.17480	25.9
335.23523	0.5
339.17865	0.4
343.26398	0.5
353.24866	1.4
371.25806	1.6
389.26889	1.3
413.21970	0.5
427.28180	0.9
445.29520	13.7
463.30554	100.0
464.31042	2.2
481.31796	1.1
607.34930	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	660.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01872	1.3
55.05275	0.6
55.05519	7.9
57.03445	8.9
57.07075	1.3
61.02935	8.1
65.03924	1.2
67.05513	35.5
68.05820	0.7
69.03434	2.3
69.07079	12.2
70.06595	0.6
71.04989	2.4
71.08614	1.0
73.02920	3.5
79.05502	21.5
80.05839	0.6
81.03419	4.4
81.07066	46.6
82.07388	0.5
83.04974	3.0
83.08626	8.9
85.02917	10.2
85.06543	3.1
86.03253	1.1
91.03975	6.6
91.05493	11.5
92.04321	0.7
93.07055	32.9
95.04989	2.6
95.08623	12.3
96.08954	0.6
97.02914	5.8
97.06545	6.1
97.10193	0.9
98.03211	0.9
99.04451	1.6
99.08109	1.5
101.02415	0.8
105.04498	0.6
105.07032	5.7
107.04954	1.2
107.08611	19.7
108.08876	0.6
109.02897	0.5
109.06527	1.6
109.10164	2.4
111.08087	4.0
111.11709	0.8
115.03954	0.8
116.34212	0.5
117.07027	6.1
119.08604	1.5
120.08944	0.5
121.06504	1.4
121.10152	9.8
121.10938	0.9
123.11707	2.8
125.09587	0.8
127.03938	2.6
131.08578	5.3
132.08914	0.6
133.10149	7.9
135.08034	1.1
135.11726	6.0
145.05006	1.8
147.11655	1.0
149.02393	0.8
149.13280	15.7
151.11214	1.3
159.11705	6.9
160.12093	0.7
165.12772	0.7
173.13264	0.7
177.12720	3.5
183.06534	0.6
193.04938	1.1
195.13811	7.9
209.18387	0.6
229.63602	0.6
244.21461	0.7
251.16565	1.1
256.26401	0.6
261.22290	1.6
262.22601	1.0
269.17505	46.2
304.23514	0.6
335.25824	2.8
336.26190	4.9
443.66885	0.5
463.30603	100.0
464.30917	3.4
464.48236	0.6
554.19171	0.6
607.34796	0.7
660.36414	4.0
661.28284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01865	0.8
55.05521	7.2
57.03448	5.4
57.07062	1.1
57.13487	0.4
59.04989	0.8
61.02939	3.4
65.03925	0.7
65.22130	0.3
66.97011	0.4
67.05515	29.0
69.03415	0.8
69.07080	9.0
69.93717	1.8
70.06598	0.3
71.05003	3.3
71.08639	0.6
73.02900	1.1
78.79203	0.3
79.05506	19.2
81.03430	2.1
81.07070	42.7
83.04995	3.4
83.08633	9.1
85.02918	2.6
85.06556	2.2
86.67577	0.5
91.03941	1.4
91.05495	11.2
93.07058	29.3
95.04990	2.1
95.08623	10.1
97.02912	2.7
97.06036	0.4
97.06548	5.4
97.10162	0.7
97.20815	0.5
99.08114	1.7
102.09180	0.5
105.04532	0.4
105.07044	4.0
107.04953	0.6
107.08614	17.2
109.06540	1.4
109.10172	2.1
111.07487	0.4
111.08107	3.7
117.07031	6.8
119.08585	1.2
121.06509	1.3
121.10159	6.7
123.11739	3.4
125.09592	0.7
127.03907	0.5
131.08597	5.5
133.10152	10.2
134.67572	0.3
135.08043	1.1
135.11710	6.8
145.10199	0.3
147.11757	0.8
149.02240	0.4
149.09659	0.4
149.13289	10.1
151.11191	1.2
155.83296	0.3
156.09084	0.4
159.11717	5.9
167.14305	0.7
177.12801	2.7
195.13841	11.5
213.14822	1.1
251.16414	2.5
251.35323	0.3
269.17514	59.9
270.17761	0.8
353.41077	0.4
445.29388	2.0
463.30621	100.0
464.31064	2.7
607.34900	0.9
660.35974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01851	0.7
55.05517	5.9
57.03440	6.7
57.07046	1.1
61.02905	1.1
61.81371	0.3
65.03926	0.7
67.05510	30.1
69.03405	0.9
69.07072	10.9
69.16460	1.6
69.16886	2.0
71.01345	0.4
71.04984	2.3
71.08648	0.5
73.02914	0.4
79.05499	18.2
81.03385	1.6
81.07064	39.9
83.05002	3.3
83.08167	0.5
83.08624	8.9
85.02888	2.0
85.06542	2.5
91.03947	0.9
91.05486	9.3
93.07050	31.2
95.04978	2.1
95.08613	10.1
97.02863	1.1
97.06538	6.2
97.10155	0.9
98.20769	0.7
99.04448	0.5
99.08076	1.5
105.04494	0.7
105.06416	0.4
105.07043	4.5
107.08603	17.9
109.06494	1.0
109.10134	1.8
111.08082	3.7
111.11721	0.7
113.05972	0.5
117.07029	4.1
119.08540	1.3
121.06478	0.7
121.09351	0.6
121.10156	10.4
123.11683	1.9
125.09643	0.6
129.06924	0.4
131.07697	0.6
131.08569	4.8
133.10129	4.6
135.08018	1.1
135.11702	4.9
139.11145	0.6
147.11694	0.7
149.09669	0.5
149.13266	17.2
151.11223	0.6
159.11700	7.8
171.56422	0.4
177.12741	3.6
195.13820	7.3
213.14874	0.8
251.16397	0.7
269.17493	49.8
305.78040	0.4
445.29489	0.8
463.30579	100.0
464.30899	1.6
607.34570	0.4
661.28705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12667	2.9
51.77890	3.4
53.03937	10.8
54.38900	3.2
55.01877	4.2
55.05308	3.1
55.05517	33.7
57.03438	12.8
57.07074	11.8
67.05513	100.0
69.07071	36.2
69.85962	16.6
71.04991	6.3
71.08623	4.6
79.05502	70.3
81.06592	5.4
81.07065	96.1
83.04974	9.4
83.08633	17.8
85.06561	6.0
87.04476	49.3
91.05492	64.5
93.07052	87.3
94.20580	3.5
95.04950	7.3
95.08620	58.2
97.06535	13.5
97.10167	7.8
99.08089	5.6
99.26678	3.8
105.07047	49.0
107.08593	47.1
109.06538	8.3
109.10161	21.5
111.08088	4.7
115.05453	3.9
117.07019	20.8
119.08592	31.9
121.06480	7.8
121.10168	32.2
123.08035	6.3
123.11694	10.4
128.06233	3.8
129.06996	8.9
131.08592	33.6
133.10182	21.2
135.11755	22.0
141.07013	3.8
143.08556	17.1
145.10126	29.2
147.08063	4.9
147.11708	12.3
149.09647	5.9
149.13255	9.8
155.08583	4.4
157.10187	10.1
159.11703	16.5
161.13297	9.0
169.10117	7.0
171.11760	3.3
173.13330	9.3
174.06924	3.3
177.12810	4.6
179.14555	2.9
179.35756	3.3
183.11745	4.4
188.60405	3.3
195.13809	5.2
219.12294	3.5
227.17545	4.3
237.16508	6.2
255.15929	10.4
257.19058	7.8
261.22223	8.0
269.17465	14.2
273.18488	10.8
275.20108	20.3
277.21616	6.8
293.21017	3.5
335.25885	61.4
337.27313	16.4
347.22205	11.2
349.23776	14.5
371.15598	3.4
435.05713	3.6
450.39157	3.2
515.37256	15.7
529.38910	53.0
564.43085	5.9
569.41815	8.8
578.84253	3.5
609.45166	27.9
627.46014	8.6
662.44928	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21902	4.0
55.01870	5.1
55.05515	46.9
57.03431	8.9
57.07079	19.4
65.03939	6.7
67.05508	100.0
68.05834	3.6
69.06731	4.3
69.07071	40.3
71.04980	6.5
71.08619	7.0
71.52786	6.1
73.11992	3.8
75.01702	3.2
75.19848	3.5
79.05495	72.4
81.07062	96.6
81.54826	3.7
83.04979	7.9
83.08624	23.0
85.06526	4.4
87.04474	57.1
90.11459	3.8
91.05482	68.3
93.07050	74.1
95.04939	10.6
95.08614	59.5
97.06503	9.8
97.10175	22.3
98.98473	7.1
105.07033	50.2
107.08607	47.6
109.10170	23.2
111.08042	4.5
111.16126	3.7
117.07012	12.5
119.08580	41.4
121.10133	34.3
123.11667	6.2
125.09650	7.9
129.07013	8.5
131.08560	26.4
131.63687	3.8
133.10141	30.1
134.10461	9.7
135.11693	21.9
137.09537	4.2
143.08565	10.4
145.10165	22.1
147.11684	12.8
149.09645	6.3
149.13268	8.0
159.11717	15.0
161.13266	6.3
163.11177	5.6
169.10191	4.0
171.11607	5.5
173.13275	8.1
179.14343	4.4
185.13232	9.3
187.14740	5.6
189.11221	7.8
197.13333	4.5
219.17479	4.3
227.12752	19.4
257.19006	13.1
259.20496	5.0
261.22083	8.4
275.20071	17.2
277.21472	7.7
335.25864	56.8
349.23825	20.9
351.25238	16.2
489.35745	7.2
490.36087	26.1
491.37283	23.9
505.34790	6.3
564.43518	10.4
609.45142	27.1
627.46484	8.6
644.48584	4.3
662.44415	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	663.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76977	0.2
55.05516	0.4
57.03434	0.4
61.02930	0.3
67.05521	1.2
69.03415	0.3
69.07076	0.4
71.03877	0.4
79.05498	1.0
80.60088	0.2
81.03419	0.7
81.07059	1.1
81.67081	0.2
81.83990	0.2
83.04971	0.3
83.08614	0.5
85.02917	0.3
86.09718	0.3
91.05495	0.9
93.07052	1.2
95.04997	0.5
95.08596	0.6
97.02901	0.2
105.07030	0.5
107.08607	0.6
109.10167	0.5
111.84249	0.2
119.08610	0.5
121.06533	0.2
121.10166	0.5
131.08554	0.3
133.10176	0.3
135.11725	0.4
145.10130	0.3
149.02364	0.7
157.10211	0.2
161.09610	0.2
162.76723	0.2
163.03944	0.4
163.11214	0.2
184.07420	1.0
185.04276	0.4
185.07852	0.3
193.04996	0.4
203.05341	0.4
243.08511	0.7
255.15851	0.2
267.15887	0.3
269.17535	0.3
291.12238	0.3
325.03119	0.3
339.29434	0.3
413.17950	0.8
429.11984	0.4
430.12177	0.3
434.27115	0.2
445.25485	2.4
447.27374	0.4
448.27783	0.9
465.28580	0.4
466.28815	0.7
467.03558	0.2
474.14938	0.4
483.27563	0.3
491.22867	0.4
501.28299	3.1
635.34460	1.0
645.31903	0.6
663.33533	100.0
664.33801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30497	1.0
53.03933	3.0
55.01858	3.5
55.05270	1.7
55.05513	18.5
57.03198	1.9
57.03440	21.4
57.07073	9.2
58.96021	1.2
59.58320	1.0
60.53091	1.2
61.02927	62.9
63.04007	1.0
66.97939	1.0
67.05505	21.5
67.35305	1.0
68.03594	1.0
69.03430	22.7
69.06728	1.5
69.07071	21.1
71.01339	3.5
71.04987	5.0
71.08624	3.1
73.02919	23.6
75.04482	1.3
79.05498	9.6
81.03418	22.1
81.07054	23.7
83.04974	4.3
83.08622	16.1
85.02908	76.7
85.06532	1.9
85.10167	3.0
87.04445	3.8
91.03956	42.8
91.05474	4.2
93.07043	11.6
95.04961	2.5
95.08606	20.7
97.02895	63.5
97.06510	4.5
97.10178	13.7
99.04465	12.7
101.02384	8.5
103.03956	11.1
103.34628	1.1
105.07027	3.2
107.08581	9.0
109.02885	12.0
109.06506	1.6
109.10149	10.8
111.04434	4.6
111.08086	1.8
111.11712	2.9
115.03934	6.3
117.05489	2.8
119.08571	2.8
121.06472	1.6
121.10136	13.6
123.11700	2.4
125.09618	2.5
127.02979	1.5
127.03921	31.8
129.05475	6.6
131.08571	1.5
133.10135	1.9
135.11687	7.9
137.05933	1.4
137.13335	1.8
139.11218	1.9
145.04962	19.8
145.10123	2.0
147.06496	1.5
149.09566	1.1
149.13281	5.0
151.14784	1.5
155.06972	1.2
157.10019	1.2
159.06534	2.1
159.11691	1.5
163.05975	5.4
163.14799	1.2
165.16371	1.2
171.06572	2.0
171.11699	1.3
171.15285	1.3
183.06517	12.4
201.07594	9.2
219.08595	2.6
247.24304	7.7
263.23697	2.1
265.25250	19.0
283.26263	2.6
331.26157	1.2
339.28943	100.0
340.29227	1.1
349.27322	2.2
355.26120	1.6
357.29825	1.4
367.28409	5.7
373.27313	3.1
381.29895	5.1
391.28372	1.8
393.29834	1.6
409.29340	2.0
411.30975	2.5
423.31018	2.0
447.31332	8.1
465.32343	6.0
483.33203	14.9
501.34055	2.8
642.16534	1.2
663.40112	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	663.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92046	0.3
53.48154	0.3
55.05513	0.6
56.25254	0.3
57.07081	50.9
62.53531	0.3
67.05504	0.7
70.11131	0.7
70.11523	0.8
74.59602	0.3
77.03616	0.7
77.03994	0.7
77.08569	0.4
81.28699	0.3
83.08620	0.4
87.04462	0.5
90.94188	0.3
91.05489	5.4
93.07062	0.4
95.04977	0.6
105.07040	1.9
107.08612	0.4
117.07014	0.5
119.08609	1.5
132.09386	0.9
133.10127	0.4
147.11696	5.9
152.06221	0.8
153.07018	2.7
155.86615	0.3
171.08064	0.7
175.01529	0.4
182.00081	0.4
217.20422	0.4
228.09375	0.9
229.10121	1.4
233.03619	5.3
251.04704	15.6
307.10944	2.0
327.07822	100.0
328.08258	1.6
330.65002	0.4
363.16922	0.8
383.14081	70.8
384.14429	1.3
436.64758	0.5
439.20383	72.6
440.20718	1.6
447.04706	0.4
473.43646	0.3
495.26614	63.4
496.26926	1.5
551.32892	85.6
552.33282	2.4
607.39130	75.2
608.39594	1.8
663.45386	20.2
664.45978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18527	1.6
53.03942	6.9
55.01863	3.2
55.05514	19.5
55.67096	1.7
57.03429	4.3
57.07079	4.8
59.04993	3.9
65.03935	3.5
67.05511	51.3
69.03091	2.5
69.03437	25.8
69.07064	14.1
69.61151	1.7
71.05000	8.7
79.05494	41.4
81.03426	28.5
81.07060	45.2
83.05003	10.3
83.08625	12.0
85.02908	14.7
85.06541	8.7
86.09702	2.7
87.04488	3.5
91.05482	48.4
93.07050	47.9
95.04949	14.0
95.08613	50.3
95.09177	3.8
95.57753	1.6
97.02900	15.4
97.06543	5.9
97.10164	4.2
98.21548	3.9
99.04473	7.0
99.08132	1.9
103.03981	2.0
105.07034	35.0
107.04958	2.9
107.08601	35.0
109.02885	6.9
109.06526	100.0
109.10162	27.6
111.04444	8.1
111.08086	4.5
113.05971	2.9
117.07025	16.6
119.08585	43.3
121.06516	8.4
121.10146	33.5
123.04482	2.0
123.08089	22.1
123.11700	6.3
124.07513	2.0
125.00005	3.1
125.09636	3.1
127.03927	8.2
127.07557	1.8
128.06204	2.5
129.05496	2.3
129.07001	14.0
131.08577	55.0
133.06522	4.6
133.10152	24.8
135.08087	7.5
135.11697	15.7
137.05919	2.2
137.09627	12.0
137.13219	2.2
139.07564	1.8
141.06998	3.0
142.07799	3.6
143.08566	14.5
145.10136	23.8
147.08037	21.4
147.11685	26.3
149.09624	45.6
149.13229	9.4
151.07550	35.8
155.08545	5.1
155.10648	4.7
156.09364	5.3
157.10141	12.3
159.08086	2.8
159.11697	18.8
161.09660	4.9
161.13260	14.0
163.11192	4.1
163.14848	3.9
165.09134	3.8
165.12778	4.3
167.08644	2.4
167.10730	2.3
169.10156	6.8
171.08046	2.4
171.11674	21.2
173.09653	3.6
173.13210	15.4
174.10394	2.7
175.11205	5.4
175.14822	3.5
177.09198	1.9
177.12749	4.6
179.14333	3.2
181.10124	2.7
183.11728	6.1
184.07349	11.7
185.09592	4.5
185.13289	7.7
187.11154	2.4
187.14905	4.9
189.12761	54.3
191.14326	6.6
195.11720	5.1
197.13315	6.7
199.11168	3.5
199.14879	4.4
201.12776	4.0
201.16504	1.8
203.10715	3.8
205.12289	2.2
207.13815	78.0
209.13356	2.8
209.15254	2.1
211.11302	2.5
213.12808	2.6
213.16429	2.1
215.14523	2.3
219.13826	2.0
219.17537	1.8
225.12886	3.0
225.14929	6.2
227.14357	3.7
231.13797	2.1
235.13280	2.9
235.75357	1.9
241.19742	1.8
243.21169	3.0
257.15436	2.3
257.18964	2.1
259.20560	6.8
261.19421	1.7
261.22113	7.1
271.20569	2.3
273.22278	3.0
275.23718	1.9
277.14584	2.9
277.21701	7.8
283.20782	2.6
285.22037	4.6
289.21606	4.0
291.23239	4.7
297.22067	2.8
301.21643	5.1
303.23215	11.0
315.23276	3.8
323.23505	2.3
327.23291	2.6
341.24710	6.7
345.24323	3.9
351.23193	8.2
369.24286	23.2
387.25269	23.1
405.26392	17.6
423.27484	4.0
462.97467	2.0
523.40259	2.2
604.44012	1.9
611.39258	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	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23082	0.4
53.03944	0.9
55.01869	1.0
55.05517	2.3
57.03437	0.7
57.07072	1.3
59.04990	1.3
62.97180	0.4
65.03923	0.9
67.05182	0.5
67.05509	7.9
69.03439	4.2
69.07071	2.8
70.02332	1.8
71.04980	1.4
79.05499	7.7
81.03413	4.2
81.07060	9.2
83.04990	2.7
83.08604	1.1
85.02902	2.0
85.06544	0.7
86.09729	0.9
86.43774	0.4
87.04497	0.5
91.05487	13.2
93.07051	8.9
95.04984	3.1
95.08614	8.6
97.02885	2.0
97.06525	1.7
98.20819	0.5
99.04491	1.0
103.05470	0.9
105.07039	45.2
106.07330	0.5
107.04951	0.9
107.08598	6.2
109.02898	0.8
109.06532	4.9
109.10158	4.2
111.04459	0.7
111.08097	0.8
113.06001	0.9
115.05453	1.3
115.07584	0.7
116.06231	0.9
117.07008	2.9
119.04951	12.5
119.08591	21.5
121.06491	1.0
121.10156	8.7
123.08086	3.7
123.11702	1.2
125.58099	0.4
127.03954	1.0
128.06210	1.5
129.07031	4.6
130.07787	0.5
131.08578	28.0
132.86253	0.4
133.06494	3.4
133.10135	11.7
135.08061	10.8
135.11679	2.2
137.09619	1.9
137.13245	1.2
141.06985	1.2
142.07785	1.5
143.08577	7.7
145.10139	8.5
147.08057	24.5
147.11705	6.2
148.08490	0.5
149.09634	18.3
149.13286	0.8
150.10358	0.6
151.07556	16.3
155.08557	1.2
156.09361	16.0
157.10110	1.1
157.11366	0.5
159.08078	0.7
159.11694	5.1
161.09639	1.4
161.13271	10.5
163.11186	1.7
163.14796	0.7
165.12770	2.6
169.08665	0.6
171.11703	38.4
173.13223	1.9
174.10414	1.0
179.14325	1.3
183.11629	0.5
184.07335	1.8
185.13321	0.9
187.14752	0.5
189.12756	100.0
190.13136	1.0
191.14314	13.0
195.11699	0.5
207.13820	24.9
225.14838	5.9
230.15434	1.2
235.30034	0.4
243.79593	0.4
261.22058	1.1
303.23431	0.6
319.22842	0.4
341.24734	0.5
351.23206	0.7
369.24347	1.6
387.25272	0.9
405.26346	1.5
523.39752	0.5
611.38525	0.8
664.44830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01881	0.6
55.05516	6.4
57.03444	10.5
57.07082	22.2
59.05009	3.2
61.02927	5.2
65.03931	1.2
67.05510	60.7
67.90266	0.4
68.05861	0.4
69.03432	0.9
69.07074	5.1
69.26448	3.2
71.05003	2.8
71.08637	17.6
73.02926	1.3
79.05502	2.4
80.79243	0.3
81.03416	0.6
81.07064	15.9
83.04995	0.4
83.08146	0.8
83.08623	10.5
85.02917	4.5
85.06544	2.1
85.10189	10.7
87.04487	0.5
89.06056	0.9
91.03951	2.2
91.05486	3.8
93.07053	3.4
95.04972	0.5
95.08615	13.9
97.02911	2.7
97.06548	0.4
97.10174	3.8
99.08124	0.9
99.11729	0.8
103.07605	1.0
105.07039	0.8
107.08620	1.3
109.10166	66.5
110.10567	0.6
111.08084	3.0
111.11729	1.1
119.08584	4.9
121.10179	0.9
123.08080	0.5
123.11707	2.9
125.09631	0.7
127.11208	0.5
131.08583	1.1
133.10065	0.5
135.08089	0.7
135.11615	0.5
137.09633	2.6
137.13263	1.0
145.10214	0.6
147.08093	0.8
147.11716	0.4
151.07550	0.8
155.10669	7.3
156.70369	0.3
171.11661	0.6
173.11758	15.8
189.12766	2.6
191.14241	0.8
207.13878	1.1
223.80147	0.3
229.14372	100.0
230.14833	0.7
230.67506	0.4
239.23866	1.9
257.24786	2.2
299.14938	0.4
313.27386	82.5
314.27698	1.0
363.10229	0.4
439.99664	0.4
467.37378	60.8
468.37576	1.0
555.66449	0.4
583.51031	0.4
595.58771	0.4
664.48132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51798	0.4
51.02396	0.4
53.69313	0.3
55.01873	0.4
55.05506	1.4
57.03437	1.6
57.07072	0.4
57.56527	0.3
61.02935	2.8
61.63484	0.3
65.03945	0.4
67.05511	6.3
69.03445	2.5
69.07074	1.7
69.65773	0.3
69.79187	0.4
70.06609	0.5
71.04994	1.2
73.02917	2.1
79.05503	3.1
81.03442	1.9
81.07068	5.9
83.05008	1.0
83.08635	2.0
84.53858	0.3
85.02921	3.9
88.07632	0.6
91.03979	2.1
91.05503	3.0
93.07062	4.7
95.05001	1.0
95.08616	2.6
97.02895	2.4
97.06557	1.5
97.10184	0.8
99.04478	1.1
101.02418	1.3
102.09216	0.6
103.04009	0.4
105.07056	2.5
107.04992	0.5
107.08594	2.6
109.02899	0.8
109.06571	0.5
109.10199	1.9
111.08147	0.6
117.07027	0.9
119.08604	1.8
121.06512	0.4
121.10168	1.8
123.08098	0.8
125.09645	0.4
127.03944	1.4
131.08636	1.2
133.10205	2.0
135.04463	0.4
135.08128	0.7
135.11751	0.9
142.37482	0.4
145.10117	0.8
147.11700	0.7
149.02374	1.7
149.09647	0.6
149.13255	2.1
151.07549	0.5
159.11766	1.1
161.09776	0.5
163.11243	0.6
168.09177	0.5
169.10172	0.4
173.13214	0.4
185.04234	0.5
193.05046	1.5
195.13860	1.1
200.20163	0.4
207.13835	0.6
221.15361	0.6
229.14316	0.6
235.13130	1.3
243.08536	1.3
256.26355	0.8
269.17490	1.8
275.20258	0.8
291.15814	0.9
349.23941	0.6
453.21008	17.6
577.13574	0.5
647.38538	0.8
665.35126	100.0
666.35364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.82367	0.2
55.01885	0.4
55.05521	1.2
57.03438	1.5
57.07058	0.3
61.02932	2.8
61.80924	0.2
65.03946	0.2
67.05177	0.4
67.05510	5.3
68.46000	0.2
69.03442	2.1
69.07073	1.5
69.85969	0.4
69.86326	1.0
71.01353	0.4
71.05004	0.6
73.02928	1.9
74.36811	0.2
76.69541	0.2
79.05510	2.9
81.03426	2.0
81.07065	6.7
83.04996	0.9
83.08640	1.6
85.02913	3.4
85.06586	0.4
87.04466	0.4
91.03969	2.0
91.05474	2.2
93.07053	5.1
95.04976	0.9
95.08601	2.1
97.02916	2.8
97.06538	1.0
97.10134	0.4
98.21484	0.4
99.04491	1.0
101.02405	1.3
103.03951	0.4
105.07025	1.1
107.08598	2.8
107.92196	0.2
109.02909	0.8
109.06553	0.3
109.10152	1.4
111.08102	0.7
114.61626	0.2
115.04081	0.2
117.07056	1.0
119.08596	1.1
121.06527	0.2
121.10138	1.8
123.08137	0.3
123.11713	0.3
125.09622	0.4
127.03926	1.0
131.08600	1.2
133.06552	0.3
133.10155	1.3
135.08076	0.5
135.11705	0.9
137.09662	0.2
143.08536	0.3
145.04968	0.5
145.10150	0.6
147.11696	0.4
149.09697	0.4
149.13286	3.3
151.07674	0.2
157.10249	0.3
159.11710	1.4
170.63814	0.2
173.04440	0.3
177.12794	0.7
185.04236	0.4
195.12144	0.3
195.13892	0.9
229.14331	0.3
235.13058	1.9
242.07571	0.2
243.08479	1.6
269.17529	0.6
275.20190	0.8
291.15903	0.7
349.23999	0.2
453.20984	15.0
480.38824	0.3
503.34241	0.5
647.38354	0.5
665.35107	100.0
666.35254	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	665.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01871	1.1
55.05529	1.7
55.05761	0.4
57.03446	1.3
57.07066	0.4
61.02934	4.2
66.76347	0.4
67.05519	5.7
69.03448	3.1
69.07071	1.8
71.05021	0.6
71.51914	0.4
71.52311	0.5
73.02935	2.6
79.05514	3.5
81.03421	1.9
81.07069	6.5
83.04999	0.9
83.08618	2.0
85.02917	4.3
85.06564	0.6
86.09723	0.4
91.03978	3.2
91.05493	2.7
93.07053	5.5
95.04985	1.5
95.08652	2.4
97.02916	3.5
97.06542	1.2
99.04462	1.0
101.02398	1.5
103.03967	0.4
105.07047	2.5
107.04908	0.5
107.08601	3.2
109.02910	0.6
109.06575	0.9
109.10191	1.5
111.08080	0.6
117.07054	1.4
119.08603	1.5
121.06487	0.6
121.10146	2.4
122.07347	0.4
123.08080	0.9
123.11739	0.8
125.09671	0.6
127.03934	1.5
131.08618	1.3
133.10152	3.1
135.08070	0.8
135.11691	1.0
139.11267	0.5
143.08609	0.5
145.05011	0.5
145.10176	0.9
147.11670	0.5
149.09630	0.5
149.13283	2.1
151.11229	0.6
155.08694	0.4
155.10654	0.5
155.38013	0.3
157.10161	0.8
159.11740	1.5
161.09583	0.6
163.11240	0.8
165.09152	0.4
169.10269	0.5
171.11650	0.4
180.45952	0.3
181.10143	0.5
181.12263	0.8
184.07381	0.7
195.13884	1.7
195.79099	0.4
207.13853	0.5
221.15419	0.4
235.13155	1.7
243.08516	1.6
247.14696	0.4
250.79826	0.4
266.00647	0.4
269.17593	1.0
291.15887	0.5
293.84125	0.4
362.82397	0.4
407.26218	0.5
435.12778	0.4
453.21036	12.6
471.52625	0.5
647.38147	0.6
665.35144	100.0
666.35376	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05502	1.0
57.03430	0.9
61.02932	2.8
61.24573	0.3
67.05511	5.1
69.03434	2.2
69.07077	1.0
71.04984	0.6
73.02922	2.3
79.05491	2.7
81.03426	2.4
81.07054	5.6
83.04988	1.1
83.08614	1.6
85.02911	3.7
85.06531	0.7
87.04465	0.4
91.03957	2.4
91.05507	2.4
93.07057	4.0
95.04971	1.1
95.08611	1.9
95.23463	0.3
95.79398	0.4
97.02905	3.1
97.06554	1.1
98.20692	0.6
99.04453	1.0
101.02370	1.0
105.07059	1.3
107.08604	2.9
109.02901	0.9
109.06542	0.4
109.10169	1.8
113.09682	0.4
117.07021	0.8
119.08572	1.0
121.06517	0.5
121.10159	1.8
123.08112	0.4
123.11736	0.5
127.03931	1.4
131.08597	1.2
133.10141	1.3
135.08076	0.7
135.11691	0.9
143.08586	0.4
145.10129	0.6
147.11711	0.8
149.09589	0.3
149.13275	1.5
149.89496	0.3
155.08502	0.5
157.10095	0.4
159.11729	1.4
177.12712	0.8
181.12415	0.4
183.11774	0.4
185.04297	0.7
195.13838	1.0
203.05225	0.6
235.13159	1.4
243.08452	1.7
269.17596	1.2
275.20081	0.7
291.15668	0.7
349.24118	0.4
453.20981	17.3
456.97925	0.3
499.52673	0.4
503.33627	0.7
540.94287	0.4
641.25397	0.4
647.38605	0.5
665.35095	100.0
666.35278	2.6
689.97723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01861	0.6
55.05516	1.7
57.03431	1.2
60.71291	0.2
61.02652	0.3
61.02931	3.8
65.03955	0.4
67.05508	5.2
68.05506	0.3
69.03425	2.3
69.07075	1.4
71.01362	0.3
71.04996	0.8
71.17841	0.3
71.52597	0.4
73.02914	2.5
76.41203	0.3
79.05070	0.3
79.05499	3.2
79.64710	0.3
81.03423	2.1
81.07059	6.2
81.07526	0.5
83.04983	0.8
83.08627	1.6
85.02910	3.9
85.06532	0.4
87.04462	0.3
91.03963	2.7
91.05482	2.3
93.06490	0.4
93.07053	4.8
95.04962	1.0
95.08610	2.0
97.02895	3.8
97.06535	1.0
99.04462	1.1
101.02380	1.5
103.03944	0.4
105.07022	1.3
107.08597	3.8
109.02888	1.1
109.06536	0.4
109.10146	1.3
111.08076	0.9
114.23382	0.3
117.06999	1.4
119.08601	1.0
121.06478	0.6
121.10177	1.5
123.08073	0.5
127.03943	1.5
129.07086	0.3
131.08559	1.5
133.10146	2.0
135.08096	0.5
135.11700	1.0
137.09644	0.4
143.08437	0.3
145.04997	0.3
145.10094	0.4
147.11708	0.6
149.09610	0.5
149.13266	2.9
152.16153	0.3
155.10715	0.5
157.10165	0.4
159.11676	1.5
161.09744	0.4
163.11205	0.3
171.11758	0.3
173.11673	0.3
173.13335	0.4
177.12769	0.3
185.04240	0.5
195.13863	1.7
209.13408	0.3
218.78575	0.3
231.97104	0.3
235.13033	1.7
243.08426	2.3
269.17545	1.1
275.20120	0.6
288.36813	0.3
291.15790	0.7
453.20935	14.8
454.21869	0.4
647.38245	0.7
665.35065	100.0
666.35260	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	666.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01863	1.7
55.05313	0.5
55.05513	6.1
57.03438	1.2
57.07053	0.9
59.13008	0.5
65.03931	1.2
67.05179	1.1
67.05507	13.5
68.15760	0.5
69.03432	8.0
69.07071	5.4
71.04994	2.3
75.71198	0.5
79.05499	14.9
81.03423	8.0
81.07059	14.9
83.04991	4.3
83.08608	2.3
85.02905	4.0
85.06513	1.5
91.05487	14.8
91.06021	0.4
91.57762	0.6
93.07050	16.0
95.04980	3.6
95.08609	12.9
97.02914	3.7
97.06533	2.5
97.10174	1.2
99.04459	0.9
99.08105	0.6
103.03983	0.8
105.06306	1.1
105.07034	22.2
105.66976	0.5
107.04969	1.4
107.08601	49.5
109.02882	2.6
109.06522	2.3
109.10157	6.5
111.04439	1.2
111.08104	1.0
115.05411	1.2
117.07030	5.4
119.06066	0.6
119.08591	12.1
121.06528	1.4
121.10154	13.7
123.04401	0.7
123.08084	2.2
123.11696	2.2
127.03873	0.7
128.06227	1.0
129.06987	3.7
131.08575	13.6
133.06583	1.3
133.10138	100.0
135.08035	4.3
135.11671	4.7
137.09599	2.1
141.06998	1.3
142.07809	0.9
142.31044	0.6
143.08566	3.6
145.06473	1.0
145.10123	7.1
147.04449	0.8
147.08122	0.8
147.11708	6.2
149.09618	2.2
149.13277	9.5
151.11234	0.7
153.09091	0.7
155.08543	1.5
157.10143	2.4
158.10912	2.3
159.08067	0.9
159.11742	3.6
161.09610	1.1
161.13278	2.5
163.11189	1.1
163.14867	1.4
169.10173	1.0
171.08015	1.1
171.11688	2.7
173.09717	0.5
173.13266	18.0
175.14847	7.2
178.32082	0.6
183.11658	1.4
185.13264	1.2
187.11188	0.9
187.14780	0.9
189.12782	0.6
191.14320	45.3
197.09607	0.6
197.13316	0.8
199.11243	0.8
199.14816	1.4
201.16473	0.7
209.13412	0.9
211.14899	0.9
213.16437	0.8
214.48915	0.6
225.16283	0.6
235.13345	0.8
241.19583	0.7
259.20648	0.8
261.22134	2.0
273.22214	1.0
277.21640	1.4
285.22037	0.8
289.21634	1.3
291.23355	1.3
301.21622	1.1
303.23193	2.3
315.23279	1.0
319.22858	0.6
327.23166	1.3
341.25015	1.0
345.24420	0.8
351.23264	2.3
369.24167	5.2
387.25262	3.8
403.78491	0.6
405.26431	5.5
423.27097	1.3
595.39526	0.7
607.78912	0.7
667.30927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
55.05498	5.1
57.07074	2.2
67.05505	17.8
69.07070	10.6
71.26647	2.1
78.96104	1.8
79.05496	8.8
81.07063	34.3
83.08600	5.8
91.05482	5.0
93.07038	6.1
95.08605	16.9
105.07013	2.4
107.08589	6.6
109.06535	11.3
109.10167	5.0
111.04424	14.6
119.08552	5.8
121.10149	3.0
123.11685	2.4
125.05974	5.2
128.69104	1.8
133.10081	5.0
135.08055	3.3
135.11659	4.4
137.05984	100.0
137.09586	1.9
147.11670	8.2
149.09572	4.8
151.07544	2.7
157.10097	3.1
161.09619	7.9
161.13232	4.1
163.11153	4.0
165.09155	2.3
167.10622	2.6
169.10303	2.1
175.11176	5.1
183.39795	1.8
198.96725	1.9
203.17961	7.0
213.16461	2.8
221.18948	3.1
231.17526	5.9
234.57603	1.8
249.18449	5.0
277.17981	41.8
295.19006	5.9
295.33997	1.7
337.27353	25.9
351.21643	20.3
369.22821	2.7
389.29736	1.7
613.44629	71.5
631.45410	6.2
666.38751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
53.03947	3.0
55.01872	2.4
55.05273	1.2
55.05517	18.4
57.03442	6.4
57.07080	4.3
65.03941	2.5
67.05512	62.2
69.03435	0.7
69.07076	20.8
70.10286	1.0
70.10683	1.6
71.04992	2.9
71.08640	5.4
76.04508	0.6
79.05499	29.7
81.03409	2.6
81.07066	65.3
83.04995	7.5
83.08625	11.4
85.06532	2.2
85.10181	0.6
91.04913	0.8
91.05490	20.7
93.07051	35.5
95.04961	6.1
95.08619	38.6
96.08986	0.7
97.06544	5.1
97.10178	3.9
99.08099	5.1
101.78263	0.6
105.04515	1.1
105.07045	13.9
107.04990	1.2
107.08603	17.3
109.06529	2.6
109.10167	14.3
111.08085	2.7
111.11698	1.1
113.09666	1.0
115.05463	0.7
116.06335	0.6
117.07030	6.0
119.08586	8.0
121.06570	0.8
121.10149	10.2
123.08083	1.0
123.11727	5.7
125.09663	2.1
129.07002	1.5
131.08591	6.0
133.10155	10.6
135.08075	0.8
135.11702	6.4
137.09627	0.9
137.13284	1.5
137.80528	0.7
139.11218	1.8
141.12753	0.8
143.08662	0.8
145.10175	1.9
147.11694	5.5
149.13251	11.1
151.11179	5.0
157.10075	1.4
159.11705	5.7
161.13278	4.6
163.11194	1.6
163.14888	1.0
165.12755	1.1
171.02180	0.6
171.11650	1.7
173.13321	0.8
175.14862	1.9
177.12816	1.9
179.14307	1.4
191.89990	0.6
195.13840	3.8
227.12823	1.3
229.14433	0.9
245.22636	1.9
251.16489	1.5
259.20618	1.8
263.23770	3.4
269.17508	14.8
277.21661	7.1
328.08127	0.9
329.08496	0.9
337.27374	33.4
338.27890	0.8
351.25311	10.0
353.27097	1.3
367.99057	0.7
369.26416	0.8
385.14920	0.8
442.21881	0.7
491.37421	2.6
498.27158	1.0
513.39172	0.8
517.38580	0.9
531.40515	100.0
532.41101	3.6
554.33960	1.0
595.46362	0.7
610.39948	1.4
613.48419	7.6
631.49316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93414	1.8
53.03947	5.0
53.70843	1.7
55.01874	3.8
55.05514	50.5
57.03436	7.0
57.07088	10.9
65.03951	3.1
67.05508	94.0
68.05834	1.7
69.03429	3.1
69.07072	29.1
71.05009	3.5
71.08633	22.2
71.26710	2.3
71.27041	2.4
79.05495	41.7
81.03420	3.1
81.07059	85.8
83.04991	8.1
83.08625	33.0
85.06538	4.7
85.10184	3.0
91.05483	28.8
93.07044	39.3
95.04986	8.5
95.08613	60.2
96.15322	1.7
97.06556	6.0
97.10175	62.0
99.08090	8.7
105.07025	18.7
107.05006	1.7
107.08601	38.3
107.59389	1.8
109.06545	4.4
109.10165	34.1
111.08084	5.2
117.07007	6.5
119.08601	14.7
121.10165	10.8
121.95413	1.8
123.08003	2.2
123.11694	9.8
125.09637	45.5
125.10555	2.6
131.08585	5.1
132.65198	1.8
133.10141	17.2
135.08047	6.5
135.11693	8.0
137.13254	2.3
143.08545	3.8
143.10701	1.8
145.10100	5.0
147.11714	8.3
149.09695	1.8
149.13293	5.7
151.11223	10.4
153.09116	2.4
159.11670	4.4
161.13260	6.6
163.11223	4.4
165.12724	2.0
171.10173	4.6
171.11565	2.5
175.14851	4.1
179.14285	4.8
189.11244	19.4
202.17245	1.7
227.12796	100.0
241.19402	2.2
241.75163	1.8
245.22574	4.2
253.14395	12.0
259.20557	3.5
263.23700	10.8
273.18503	4.5
277.21637	19.3
291.19626	10.5
335.25766	2.6
337.27377	54.8
338.27979	2.8
341.26917	3.6
341.30597	4.6
351.25323	45.8
393.22784	3.8
435.34665	10.7
445.37125	3.0
505.38391	2.5
507.36865	72.3
515.40869	11.2
537.41467	5.4
613.48303	61.1
629.89459	2.3
631.49341	11.9
666.36902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01875	2.0
55.05514	7.4
57.03440	13.5
59.04992	2.5
61.02921	2.1
66.12360	0.8
67.05509	57.7
69.03425	1.7
69.07066	2.8
70.06586	0.7
70.64303	1.5
70.64638	1.4
71.04992	4.0
73.02891	0.8
79.05499	8.3
81.03425	46.1
81.07061	14.3
83.04984	3.1
83.08628	13.7
83.87108	0.7
85.02898	2.2
85.06532	2.7
91.03949	1.1
91.04964	1.3
91.05486	12.6
93.07058	7.1
94.84653	0.7
95.01282	0.7
95.04976	14.4
95.08607	7.6
96.04477	1.0
97.02897	2.4
97.06547	1.5
97.10181	1.1
98.03256	0.8
105.07047	8.7
107.04980	2.8
107.08580	3.8
107.33764	0.6
108.04480	2.0
109.06532	2.2
109.10166	60.9
110.02394	1.3
110.10576	0.8
111.04449	1.8
111.08089	5.7
116.44006	0.6
117.07018	1.3
119.08585	11.9
121.06531	2.0
121.10152	4.0
123.04424	0.8
123.08089	1.1
125.09641	1.1
127.03891	0.8
129.07007	5.6
131.08583	4.5
133.06505	1.7
133.10150	3.9
135.08110	0.9
135.11726	0.7
137.09669	4.1
141.06953	0.8
142.07674	0.7
143.08563	0.9
145.10153	1.3
147.08070	1.5
147.11668	5.7
149.09644	3.5
151.03899	1.1
155.10674	5.7
157.10136	5.8
160.11259	0.9
163.11186	1.9
165.12787	0.8
173.11760	17.8
175.11195	5.6
178.12306	1.5
184.07399	0.8
188.10753	2.8
193.12256	17.5
206.11806	3.0
211.13313	1.6
213.12801	0.7
224.12836	1.9
227.12753	0.7
229.14365	82.8
235.13367	0.9
249.14943	1.9
253.14386	0.8
267.15930	74.4
268.16388	0.9
280.15436	2.2
323.72299	0.7
329.21140	1.8
347.22467	1.3
384.18384	0.7
403.24820	10.4
421.25888	100.0
422.26242	2.2
439.27277	1.0
463.26733	2.0
471.25797	1.1
488.26541	4.0
506.27798	2.1
529.28864	1.1
547.28973	1.3
668.34143	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	669.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01870	5.5
55.05516	9.5
57.03442	5.7
57.07097	3.1
59.05020	3.4
60.37500	2.8
65.03963	3.7
67.05509	32.6
69.03425	10.5
69.07077	9.8
70.06588	2.9
71.04991	6.2
79.05498	22.3
81.03429	29.5
81.07062	28.7
83.04996	8.3
83.08627	7.6
84.04510	30.2
85.02913	11.9
86.09701	3.1
91.05488	24.2
93.07054	25.7
95.01311	9.2
95.04980	11.5
95.08625	13.4
97.02910	16.0
97.10171	6.3
99.04467	4.3
101.07150	3.3
103.05473	3.0
105.07043	14.6
107.04973	9.6
107.08603	12.2
109.02885	8.4
109.06550	5.3
109.10161	12.2
111.04453	6.0
111.08119	3.7
113.09716	2.9
117.07028	7.7
119.04929	3.0
119.08582	10.0
121.06504	6.1
121.10158	12.9
123.04415	12.1
125.02367	4.6
127.03941	11.5
129.05438	2.8
129.07040	6.0
130.05023	38.1
131.04968	3.2
131.08609	6.6
133.02838	3.5
133.10159	7.7
135.04404	6.8
135.08052	4.3
135.11703	9.7
137.05974	3.7
139.03937	4.9
143.08572	3.0
145.02864	5.3
145.06549	3.9
145.10176	6.9
147.04369	9.5
147.07654	52.4
147.11684	6.8
149.09602	6.8
151.03923	13.7
155.03418	40.5
157.10147	6.1
159.04420	3.4
159.11700	11.2
163.03932	26.9
163.11203	7.6
165.05493	3.1
167.03415	5.9
169.01289	3.5
169.04984	21.6
175.03920	5.4
177.05505	10.9
177.12752	6.0
179.03412	56.2
181.01347	3.2
181.04979	10.7
183.02974	4.9
185.04446	4.4
187.03984	5.0
189.05460	8.4
191.03366	2.9
193.04996	6.9
193.12297	5.8
195.03018	4.6
197.04469	81.7
201.12804	3.4
203.03403	35.5
203.07150	3.6
205.05022	10.8
207.06458	4.3
209.04451	5.2
209.11789	7.0
211.13373	2.9
213.05544	3.7
217.12242	4.3
219.06575	6.0
221.04480	92.4
223.06003	14.8
227.12808	6.1
229.14334	5.4
249.07507	2.7
253.66454	3.8
267.15787	7.4
273.14923	4.1
283.15411	11.2
301.14334	15.2
305.13831	4.2
317.14008	6.6
319.15460	74.2
325.14279	6.2
333.13306	3.6
343.15463	25.6
361.16522	42.5
379.17542	7.1
409.16547	15.1
421.18777	3.9
427.17395	21.5
445.18567	8.3
463.19650	4.9
469.18826	14.6
487.19852	29.9
505.20718	19.1
523.21851	100.0
523.29724	4.8
633.28735	8.2
651.29590	9.3
669.30658	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	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93732	1.5
78.26939	0.3
95.08656	0.3
98.20783	0.6
163.11153	0.4
164.51019	0.3
185.86510	0.3
196.70033	0.3
211.12137	0.3
314.13165	0.4
335.25787	0.5
377.17688	0.7
379.19110	0.6
390.18903	0.4
391.15134	0.4
391.19366	1.7
392.20120	1.0
393.20737	1.6
403.19495	0.5
405.16455	2.6
405.21036	1.1
406.17773	0.9
407.22610	4.4
418.17734	0.7
419.18216	2.9
419.23502	0.4
420.19086	1.7
421.20306	3.5
421.24997	0.5
423.21881	1.1
432.19370	0.4
433.15576	0.7
433.20795	4.5
434.21188	4.2
435.21991	7.0
436.22516	1.2
445.20135	0.6
447.18036	2.1
447.22473	1.2
448.19131	1.2
449.19595	5.4
449.24875	0.4
450.20825	0.4
459.21991	0.6
461.18970	1.8
462.20361	3.7
463.21136	4.3
464.22015	1.1
475.21390	1.6
476.22150	0.6
477.22791	0.4
479.20685	0.6
489.22913	0.8
493.21994	0.7
494.22559	0.4
495.24463	0.4
505.22040	0.5
506.23248	0.4
507.19791	0.6
507.24539	0.4
509.22266	0.5
517.22534	0.3
521.25739	9.9
522.23004	1.0
523.23334	0.5
535.23511	1.3
547.27289	0.7
549.24969	22.8
567.22717	0.6
577.24487	1.0
580.22797	0.5
581.27747	4.7
609.27051	16.9
610.27728	0.9
669.29187	100.0
670.29547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.43369	0.4
58.13757	0.4
67.05498	0.9
71.05039	0.4
71.52563	0.6
79.05499	0.9
81.07047	0.6
87.98867	0.4
91.05493	0.8
92.43980	0.4
92.69014	0.4
93.07088	0.8
109.10179	0.5
117.07003	0.4
119.08659	0.4
130.78156	0.4
239.11887	0.4
377.17810	0.6
378.18936	0.4
391.19199	1.2
393.20685	1.1
405.16412	2.1
405.21524	0.7
406.17685	0.7
406.22253	0.5
407.22537	3.9
418.17654	0.9
419.18634	3.3
420.19437	1.8
421.20383	3.2
423.22046	0.7
431.18942	0.7
432.19650	0.7
433.20398	10.6
434.21277	4.6
435.21970	5.8
435.27194	0.5
436.22556	0.7
445.20602	0.5
446.21396	0.6
447.21954	1.6
448.23099	0.8
449.19614	6.7
459.21942	0.5
461.19363	0.8
461.24539	0.6
462.20612	0.9
463.21323	2.8
464.22327	1.2
465.23062	0.6
475.21481	0.5
477.22910	0.8
493.22906	1.9
495.23654	0.9
505.22406	1.2
508.20969	0.6
509.22177	1.3
520.24658	0.7
521.25940	6.8
522.22552	2.9
523.23193	2.9
535.23584	1.7
548.23938	0.4
549.25067	4.3
550.25470	0.6
565.24432	1.0
567.22974	1.4
577.24109	0.5
580.26691	1.4
581.27893	2.2
609.27094	17.2
610.27271	1.1
641.29504	0.7
651.28204	0.7
669.29230	100.0
670.29230	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	669.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
71.52334	0.4
75.34333	0.3
83.08629	0.6
88.44035	0.3
103.90504	0.3
119.08537	0.4
121.10190	0.4
149.23840	0.3
204.68944	0.3
222.20061	0.3
229.12035	0.7
236.06799	0.4
247.13197	0.6
463.26636	0.6
669.39758	100.0
670.39868	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	669.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
55.84104	0.6
57.03426	2.0
57.07076	3.3
61.02929	3.3
67.05508	6.4
69.03419	2.7
69.07068	0.7
69.40923	5.0
71.08626	2.3
72.64552	0.6
73.02917	2.8
81.03414	0.9
81.07074	2.0
82.03156	0.7
83.08621	1.6
85.02909	3.6
85.10192	1.0
91.03955	3.8
91.05482	0.7
93.07059	0.7
95.08600	2.3
97.02881	3.7
98.21485	1.0
99.04462	1.0
101.02381	1.5
105.17664	0.6
105.79684	0.6
109.10171	6.6
110.20289	0.6
115.03944	0.6
115.87026	0.5
119.08574	0.9
127.03938	1.7
131.36389	0.6
143.68562	0.6
155.10710	0.6
155.15950	0.6
172.78122	0.6
173.11758	1.7
176.53000	0.6
229.14467	1.0
243.08472	1.9
263.60031	0.6
277.20969	0.7
313.27469	1.0
334.28632	0.7
348.31979	0.6
413.17755	10.8
497.30930	4.7
505.05487	0.8
507.00104	0.8
669.41791	100.0
670.42035	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	670.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04450	0.2
53.03946	0.4
55.01875	0.6
57.03444	1.0
58.66083	0.2
59.25881	0.2
61.02927	1.6
65.03951	0.3
69.03431	3.0
70.06585	0.4
70.68896	0.2
70.69209	0.4
71.01367	0.2
71.05004	0.3
73.02913	0.6
79.64034	0.2
81.03433	1.5
83.01297	0.3
84.04511	0.2
84.08151	0.3
85.02908	13.0
91.03957	0.8
91.05482	15.6
94.24801	0.2
95.04952	1.6
97.02895	4.8
99.00827	1.7
99.04458	0.7
105.07057	0.7
107.04956	5.6
107.05631	0.4
109.02885	1.2
117.01855	1.1
119.04946	41.8
120.05759	1.4
121.02894	0.5
127.03929	3.3
129.07056	0.3
133.06528	0.8
135.08080	0.3
145.04967	4.9
145.06506	0.5
147.04414	0.9
152.06166	0.5
157.06499	0.3
161.06024	1.1
162.07643	0.4
163.06030	0.8
165.07086	0.5
167.08588	2.3
171.08020	0.3
177.05537	0.3
177.06905	1.1
180.08696	2.6
185.09612	0.6
186.73105	0.2
193.08600	1.4
195.08083	2.5
198.06613	0.3
212.08275	0.9
213.09109	100.0
214.09515	1.2
237.09103	1.7
247.07538	0.5
261.05936	0.3
265.08710	1.0
293.08090	1.0
311.09152	2.7
329.10187	1.6
346.12872	0.8
346.22128	0.7
508.27319	0.7
670.32928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67049	0.1
55.01864	0.3
56.66731	0.2
57.03445	0.4
59.14877	0.2
61.02925	0.8
65.03958	0.6
69.03441	1.8
70.06599	1.1
71.01363	0.3
71.04991	0.2
71.52349	0.2
73.02920	0.3
81.03436	0.7
85.02913	6.9
86.06081	0.6
86.09708	0.5
87.04431	0.2
91.05490	18.5
95.04993	1.8
97.02910	2.0
99.00830	9.5
99.04455	0.3
107.04968	4.9
109.02892	0.6
117.01865	5.3
117.07050	0.3
119.04957	43.6
120.05775	1.7
121.02884	0.7
123.04470	0.5
127.03936	1.4
131.05020	0.2
132.95914	0.2
145.04979	2.0
145.06482	0.7
147.04419	3.0
152.06224	0.5
157.06554	0.4
157.10161	0.2
162.07581	0.3
163.03966	0.3
163.06046	0.8
165.05524	1.1
165.07051	0.6
167.08589	2.6
177.06990	1.2
180.08708	0.7
181.06490	0.3
185.04601	0.3
185.05998	0.2
185.09654	0.6
189.05423	0.2
194.07396	0.3
195.08089	2.9
196.08507	0.2
198.06714	0.2
199.03848	0.2
207.81888	0.2
212.08344	0.8
213.09125	100.0
214.09502	1.1
219.08014	0.2
231.13359	0.9
235.06020	0.5
237.09201	0.9
247.07640	0.7
265.08588	0.6
293.08136	0.5
311.09137	2.0
328.18674	0.6
329.10223	3.1
346.08658	0.2
460.23117	1.0
508.27673	0.2
545.78564	0.2
663.17572	0.2
677.13898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01875	0.3
57.03433	0.4
60.04525	0.1
61.02941	0.7
62.47614	0.1
63.35917	0.1
64.94198	0.1
65.03921	0.6
66.70724	0.1
69.03438	1.6
70.06586	0.2
71.04996	0.2
71.52307	0.2
73.02930	0.2
81.03430	0.9
84.08163	0.2
85.02914	7.4
87.04443	0.3
91.03942	0.5
91.05488	4.7
95.04951	0.2
97.02903	2.4
99.00786	0.3
99.04436	0.3
107.04980	0.4
109.02892	0.8
117.01830	0.2
119.04953	13.4
123.04435	0.3
127.03930	1.6
129.10226	0.1
139.03908	0.1
144.06590	0.1
145.04974	2.7
147.04420	100.0
148.04745	0.9
153.14618	0.1
162.07613	0.3
163.05998	0.7
165.05493	5.1
175.39723	0.1
180.08705	1.9
194.97415	0.2
195.07983	0.1
213.09126	5.1
237.95778	0.1
272.98468	0.1
309.09668	0.2
311.09131	0.3
329.10196	1.9
343.99756	0.5
346.13055	0.4
368.01907	0.5
488.03525	0.1
506.04752	0.2
598.33942	0.1
606.10846	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	671.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57010	1.7
55.01873	9.7
55.05274	2.2
55.05516	31.3
57.03442	9.9
61.02918	2.5
65.03917	2.7
67.05507	39.0
69.03426	14.4
69.07059	7.9
71.04995	9.5
79.05499	30.7
81.03419	24.4
81.07056	34.2
83.04976	8.1
83.08619	20.8
85.02900	5.5
85.06540	2.9
86.09718	3.3
91.05489	28.2
93.07056	28.6
95.04982	20.7
95.08616	18.2
97.02897	6.9
97.06525	5.4
97.10172	23.6
98.21519	4.2
99.04428	2.7
99.08099	2.0
105.07036	19.3
107.04962	19.4
107.08589	18.4
109.02863	6.6
109.06528	13.1
109.10172	13.4
111.04431	2.9
111.08089	3.2
117.07038	9.1
118.48115	1.9
119.04965	8.9
119.08583	14.1
121.06509	15.3
121.10176	9.0
123.08051	5.0
123.11698	3.6
125.09628	23.9
127.03925	5.6
129.07053	8.5
131.04892	2.4
131.08606	10.3
133.06506	4.7
133.10115	8.6
135.08029	7.2
135.11697	5.2
137.05989	4.9
137.09584	2.5
137.92580	2.0
141.07018	2.0
143.08549	4.8
143.10730	1.9
145.06503	10.5
145.10132	6.7
147.04419	59.9
147.08005	8.2
147.11681	6.6
149.09636	5.0
149.13272	2.3
151.11127	2.2
153.09100	4.6
155.03409	6.2
155.08586	4.5
157.06462	2.5
157.10118	4.4
159.08069	2.7
159.11690	3.0
159.26837	1.9
161.05988	1.9
163.03880	3.4
163.11195	6.5
165.09126	4.2
168.94341	1.8
169.10048	3.2
171.08083	5.6
171.10240	1.8
171.11726	3.6
173.11736	2.3
173.13240	2.0
175.11208	5.7
177.12779	3.7
185.09868	1.8
185.13182	2.5
189.09509	2.4
189.11227	10.9
189.12720	2.3
190.07385	1.9
193.12253	8.5
197.04498	5.1
199.11296	2.8
199.13287	1.9
205.12253	2.1
209.11725	6.0
211.11223	2.6
211.13142	3.2
213.12778	1.8
219.13815	2.5
227.12791	5.4
229.14180	2.6
231.13547	2.3
233.15376	8.0
237.12840	2.1
241.14400	2.2
259.13245	1.8
267.15881	11.7
273.14813	8.3
283.15314	2.9
287.16595	2.7
291.08658	2.6
303.08594	2.2
308.28348	2.1
309.09628	4.8
321.16992	3.6
325.10056	1.6
331.07971	1.8
339.22995	3.0
349.21497	8.4
357.23746	2.9
363.17691	2.4
367.22684	22.8
380.16714	2.2
385.23749	37.7
403.24817	13.8
423.25851	2.1
424.78973	1.9
441.26486	9.8
459.27432	100.0
460.27386	3.3
477.28519	88.5
478.28809	3.2
491.30258	11.5
501.28833	3.0
509.31110	6.1
525.23242	6.7
671.34814	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01953	0.3
53.03934	0.8
55.01863	0.6
55.05275	0.3
55.05516	4.6
57.03447	3.5
57.07081	32.1
61.02933	12.6
61.45650	0.3
65.03941	0.4
67.05510	9.9
68.05812	0.3
68.26847	0.2
69.03439	1.7
69.07072	7.0
69.56553	1.0
69.56960	0.6
71.04982	0.6
71.08636	27.9
73.02560	0.4
73.02921	4.3
75.04491	2.1
78.45288	0.3
78.72951	0.3
79.05508	1.5
81.03429	1.7
81.07065	14.7
82.07391	0.3
82.65133	0.3
83.04970	0.4
83.08627	10.9
83.69222	0.3
85.02910	17.8
85.06526	0.5
85.10188	16.3
87.86050	0.2
89.06023	1.0
91.03959	14.2
91.05461	1.1
91.14066	0.3
93.07053	1.8
95.04958	1.1
95.08613	23.9
96.08955	0.5
97.02898	8.1
97.06536	0.3
97.10175	5.1
99.04446	0.8
99.08089	0.6
99.11710	1.3
103.07565	0.8
105.07027	0.6
106.07315	0.3
107.04914	0.3
107.08603	0.4
109.02859	0.7
109.10168	12.0
111.11721	1.3
115.03925	1.3
116.56149	0.3
117.06997	0.6
119.08547	0.6
121.10143	0.6
123.10838	0.3
123.11723	4.9
125.13266	1.0
127.03924	6.0
129.07016	0.4
131.08499	0.4
133.10167	0.5
137.13287	2.1
139.14835	0.4
145.04974	8.5
145.06236	0.5
151.14833	0.8
163.06023	13.6
163.11261	0.3
165.16377	0.5
184.07388	0.3
187.77873	0.2
221.22646	0.8
239.23711	21.6
257.24734	4.1
258.19672	0.3
285.34058	0.2
298.27512	0.5
301.14426	0.3
310.66357	0.4
313.27377	100.0
314.27838	1.9
323.66922	0.3
331.28442	52.8
332.28787	0.7
412.73053	0.3
475.32495	0.6
622.26965	0.3
636.40698	0.5
640.28760	0.7
654.30756	0.6
654.40765	0.4
672.20898	0.3
672.30841	3.3
672.41882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	4.5
53.03934	1.4
53.25522	0.4
55.01862	0.9
55.05494	0.6
57.03434	1.7
61.02924	2.3
65.03940	1.5
67.01878	0.4
67.05499	1.0
69.03433	23.7
69.07069	0.6
70.06581	1.2
71.01359	1.8
71.04993	1.2
71.25420	0.8
72.08160	3.0
73.02921	0.4
79.05494	0.6
81.03423	7.2
81.07054	0.5
83.01339	1.1
85.02914	22.8
86.09711	1.2
91.05493	3.5
95.04964	0.8
95.08534	0.4
97.02898	19.7
97.10162	0.5
99.00821	24.4
99.04454	5.5
103.05442	0.4
107.04965	9.4
109.02885	43.6
110.07272	0.5
111.04453	0.8
115.05447	0.5
117.01877	2.0
117.07079	0.4
119.04947	5.6
120.05706	0.7
121.02866	3.4
121.06516	0.8
123.04446	6.0
125.02367	1.3
127.03925	29.0
135.04420	2.9
136.01564	0.8
137.02357	0.5
139.03918	3.2
139.11101	0.5
143.03404	0.9
143.04901	0.5
145.04962	7.8
145.06429	1.5
147.04468	1.8
149.02359	5.9
153.07010	0.7
155.08553	0.7
161.05959	0.5
162.07538	0.5
163.03896	3.7
164.04205	1.0
165.07014	3.3
167.03413	18.5
177.05472	0.7
183.02914	1.1
183.08075	3.8
185.04466	100.0
186.04826	0.9
189.05463	0.5
189.06949	0.7
193.06401	0.5
195.02943	3.3
197.04483	0.7
205.04927	0.7
207.08104	3.2
209.04471	5.8
211.07561	2.8
217.06577	0.5
225.03938	7.4
228.07806	1.2
229.08612	13.6
233.04434	0.9
235.07599	5.5
239.07117	1.9
243.05016	6.7
251.05479	1.2
253.08685	4.4
255.10208	0.5
261.06067	17.2
263.07095	11.2
281.08102	12.5
284.16205	0.8
291.06454	2.0
293.06467	0.5
299.08859	0.7
309.07593	11.6
311.07874	0.5
316.18655	0.7
327.08685	8.5
345.09921	0.4
413.20273	1.3
462.19351	0.5
471.12842	0.7
481.81027	0.5
511.27405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	3.9
53.03944	1.2
55.01871	0.9
55.05507	0.5
55.29775	0.3
57.03435	1.2
61.02933	2.1
65.03944	0.5
67.05514	1.1
68.99807	0.3
69.03429	22.5
69.07062	0.5
70.06593	1.6
71.01360	1.9
71.04993	1.1
71.52741	0.4
72.08151	1.5
73.02909	0.3
79.05499	0.8
81.03418	8.4
81.07082	0.4
81.54536	0.3
83.01353	1.2
84.04524	0.6
84.08135	0.4
85.02906	21.4
86.09711	1.4
88.03975	0.4
89.03929	0.3
89.32893	0.3
91.05489	2.6
93.03407	0.5
93.07076	0.6
95.04977	1.1
95.08603	0.5
97.02892	19.1
99.00814	25.2
99.04450	6.1
101.02370	0.6
105.07064	0.5
107.04956	8.7
109.02881	44.5
110.00256	0.3
110.38492	0.3
111.04438	0.9
115.03941	0.6
117.01891	2.3
119.04946	5.2
119.08584	0.4
120.05787	0.5
121.02859	3.0
121.06474	0.9
122.02755	0.4
123.04430	7.0
125.02359	1.0
127.03920	27.1
130.04964	0.4
135.04411	3.2
136.01584	1.0
137.02411	0.4
139.03925	2.6
139.10207	0.3
143.03421	1.1
145.02940	0.6
145.04965	8.3
145.06418	1.1
147.04460	2.0
149.02351	6.0
151.03909	0.6
153.06973	0.7
155.08549	0.9
159.04474	0.4
161.05965	1.0
163.03908	2.8
165.06960	2.4
167.03407	19.2
167.07091	0.7
173.05998	0.4
177.05450	0.7
179.08566	0.4
181.05029	0.4
181.06482	0.4
183.02872	1.1
183.08063	3.7
185.04456	100.0
186.04797	1.1
187.03854	0.8
189.05571	0.7
191.03389	0.7
193.06458	0.5
195.02898	3.7
197.04387	0.6
203.03369	0.5
205.04860	0.4
207.08034	2.9
209.04456	5.8
211.07524	2.6
218.07132	0.4
221.04381	0.8
225.03943	6.9
228.07680	1.5
229.08589	12.9
233.04453	0.9
235.07578	5.1
239.06914	1.6
243.04996	7.3
251.05453	0.8
253.08612	5.3
261.06067	21.0
263.07098	9.7
267.06516	0.5
275.05338	0.5
281.08118	11.9
284.16135	0.4
291.06473	1.9
293.06628	0.6
309.07571	11.2
311.07510	0.4
317.19052	0.4
325.08765	0.5
327.08612	8.5
345.09778	0.8
390.62085	0.4
413.20224	0.9
471.13071	0.4
510.27997	0.3
511.21048	0.3
511.27728	1.1
565.82007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.01868	6.5
55.05518	30.3
57.03439	3.9
57.07065	7.6
57.82004	2.9
61.00334	2.6
61.83495	2.7
65.03931	3.5
67.05505	87.1
69.03090	3.9
69.03434	50.6
69.07074	26.7
69.92492	15.0
71.01355	2.9
71.04984	6.2
73.31461	2.7
79.05072	5.4
79.05497	77.8
81.03418	31.6
81.06593	5.3
81.07059	100.0
83.04970	11.8
83.08621	15.2
85.02902	7.4
85.06546	4.1
87.04465	5.5
89.06042	17.9
91.05476	64.2
93.07049	75.8
95.04972	15.8
95.08611	51.1
97.02887	5.9
97.06525	12.2
97.10178	3.8
97.80602	2.8
98.20788	6.1
99.04444	5.9
103.05466	3.2
105.04527	3.2
105.07035	33.7
107.04955	8.8
107.08587	38.2
109.02859	7.3
109.06535	9.9
109.10152	18.7
110.41367	2.8
111.04446	7.4
111.08095	6.0
117.07012	28.4
119.08584	31.7
121.10162	28.2
123.04476	3.2
123.08061	7.3
123.11672	7.2
125.05942	3.3
129.06989	13.4
131.08569	28.6
133.06555	6.4
133.08569	11.4
133.10126	31.7
135.08084	7.7
135.11708	14.2
139.11211	3.5
143.08556	11.4
145.06505	4.1
145.10114	23.5
147.07951	4.5
147.11676	19.7
149.09602	4.3
149.13240	17.4
151.11261	4.6
155.08524	6.5
157.10139	10.1
159.08055	7.7
159.11720	19.7
161.09671	4.6
161.13284	7.4
163.11224	6.9
165.12759	4.4
169.10118	5.2
171.11670	10.6
173.09634	5.1
173.13266	8.7
175.11345	5.3
177.11244	6.3
177.12634	7.0
178.11519	3.6
183.11696	5.0
185.13219	9.2
187.14830	5.7
189.12724	3.5
195.13774	16.4
195.22119	3.6
209.13358	3.5
211.14742	3.1
213.14748	3.7
221.13350	3.1
269.17542	19.7
273.21924	4.5
277.21744	4.4
301.21588	8.4
335.25586	4.2
341.24612	3.7
351.23254	10.1
369.24344	14.3
387.25378	8.7
443.27859	9.2
461.29211	14.8
587.39233	3.6
637.40863	8.7
655.41785	17.2
673.43250	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95797	0.7
52.19453	0.8
55.01865	3.8
55.05519	8.4
57.03440	3.8
58.23657	0.8
59.04998	0.8
61.02919	2.7
65.03948	0.9
67.05511	19.6
69.03427	2.6
69.07069	6.6
69.23518	6.5
71.01349	0.9
71.04983	3.2
72.20291	0.7
73.02898	1.5
77.03897	0.7
79.05082	1.0
79.05499	15.6
81.03426	9.8
81.07062	21.9
83.01344	1.6
83.04981	7.7
83.08619	7.3
84.92918	0.8
85.02901	4.6
85.06536	1.5
86.09697	1.4
91.03949	1.5
91.05481	11.0
93.06482	1.4
93.07045	22.2
95.04976	4.6
95.08159	0.7
95.08621	8.4
97.02888	3.8
97.06547	4.8
97.10162	4.1
98.20766	1.0
99.04446	1.6
99.08084	1.6
105.07024	7.8
107.04975	4.4
107.08600	13.6
109.02909	1.0
109.06500	2.6
109.10176	4.7
111.04446	4.0
111.08099	4.2
115.03896	1.0
117.07027	7.6
119.08586	5.8
121.06505	2.9
121.10155	7.6
123.04446	0.8
123.08051	4.3
123.11699	1.1
125.09646	5.8
127.03902	1.2
129.05482	0.7
129.06985	1.9
131.08620	5.1
133.06529	1.4
133.10173	5.1
135.08031	1.6
135.11702	8.7
137.87505	0.8
143.08594	1.6
145.06491	2.5
145.10136	7.3
147.08029	1.5
147.11697	2.5
149.09590	1.8
149.13264	6.5
151.11189	0.9
153.09102	1.0
153.12766	3.9
155.08502	1.7
157.10181	1.2
159.11699	3.2
163.03812	1.0
163.11183	11.5
165.09073	2.0
171.11668	0.9
173.09604	2.4
175.11237	1.0
175.19707	0.9
177.12753	2.2
181.12228	3.9
184.07312	2.1
189.11208	1.9
191.10660	3.5
193.12239	1.7
195.13788	2.9
197.04396	0.8
209.11719	3.0
210.14951	1.0
213.14775	0.9
227.12851	6.0
239.11859	0.8
265.10614	1.4
267.15939	2.5
269.17551	15.1
283.15439	13.8
339.23077	0.9
349.21390	0.9
357.24353	1.1
367.22760	2.3
385.23816	4.0
403.24921	4.2
425.26160	0.8
441.33804	0.9
459.27478	18.8
477.28528	100.0
478.28644	2.3
495.29587	17.3
512.30237	0.9
517.72986	0.9
656.35358	1.5
674.34131	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	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05266	1.1
55.05515	14.2
57.03446	5.5
59.04989	1.1
61.02919	3.8
65.03923	1.5
67.05508	28.5
69.03410	2.6
69.07084	7.1
70.43192	0.7
71.04987	3.3
73.02910	1.2
79.05071	1.3
79.05499	21.1
81.03042	0.9
81.03426	8.3
81.06590	1.5
81.07056	25.3
83.01335	0.8
83.04987	7.4
83.08617	8.2
85.02890	5.6
85.06571	1.7
91.03967	2.1
91.05481	23.6
93.06487	1.4
93.07049	22.3
95.04968	10.1
95.08608	9.6
97.02890	3.2
97.06528	5.6
97.10175	10.0
99.04457	1.6
99.08100	1.2
103.05475	1.0
105.04533	0.9
105.07038	15.3
107.04959	7.5
107.08600	15.5
109.02879	2.0
109.06512	3.5
109.10169	11.8
111.04439	4.4
111.08121	3.9
115.05463	1.1
117.07021	7.9
119.04929	1.2
119.08565	8.0
121.06503	4.3
121.10122	6.8
123.04435	2.5
123.07200	0.8
123.08056	3.4
123.11698	2.2
125.09641	10.4
125.22710	0.7
127.03881	1.5
129.07010	4.9
131.04913	1.8
131.08577	10.5
133.06494	2.5
133.10124	14.6
135.08060	4.2
135.11685	6.0
137.05960	0.9
137.09587	2.2
138.09215	1.0
141.06999	1.8
143.08565	5.4
145.06470	3.5
145.10144	6.8
147.08076	4.4
147.11687	2.4
149.05992	1.4
149.09616	2.7
149.13271	3.0
151.11188	4.7
153.09102	2.6
153.12714	2.8
155.08585	2.7
157.10114	3.6
159.08038	3.0
159.11707	3.6
161.05943	1.5
161.09642	1.8
163.07579	0.8
163.11192	9.5
166.08612	0.9
167.08737	0.9
169.10106	2.0
171.07999	1.9
171.11647	1.8
173.09645	2.5
173.13176	1.3
175.11137	2.4
177.12770	2.1
181.10080	1.0
181.12234	3.1
183.11697	1.9
184.07310	1.4
185.09624	1.2
185.13249	1.7
187.11275	1.4
187.14877	1.2
189.11203	3.5
189.12706	0.9
191.10719	2.3
193.12265	3.8
195.11699	1.4
195.13719	1.3
197.04504	1.2
197.13191	1.4
199.11247	1.0
201.12755	1.0
203.14247	0.9
205.12219	1.6
205.15892	1.3
207.13817	1.2
209.11653	1.5
211.11372	0.9
213.12799	1.8
215.10712	0.8
215.14258	2.3
227.12703	5.5
229.14288	1.3
231.13828	1.5
233.15381	3.4
237.12747	0.9
249.14769	1.7
255.13744	0.9
267.15900	1.5
269.17474	6.1
273.14737	1.7
283.15375	8.8
287.16055	0.9
293.09128	2.1
294.09546	1.5
305.09061	0.8
339.23193	3.0
349.21457	2.1
351.09534	1.0
352.10165	1.4
357.24310	3.7
367.22723	10.8
385.23776	20.9
403.24753	5.6
431.27887	1.7
441.26068	3.0
447.17554	1.1
449.28784	1.1
459.27417	100.0
460.27805	1.7
477.28482	99.5
478.28778	2.7
495.29941	6.5
550.21442	1.2
551.22162	6.6
552.22913	9.2
639.34314	1.0
642.25897	1.1
674.34827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78155	0.1
53.03916	0.2
54.68150	0.1
55.05507	0.4
56.05030	0.6
57.03443	0.2
58.06632	0.4
58.93648	0.1
60.08167	5.9
67.05511	2.0
68.05834	0.3
69.03418	0.3
69.07062	0.5
70.06587	0.2
70.64088	0.3
71.07381	2.6
77.77676	0.1
79.05492	0.7
81.03415	0.4
81.07065	1.6
82.07416	0.2
83.08618	0.2
86.09711	28.5
91.05487	0.8
93.07043	0.8
94.07373	0.2
95.04948	0.1
95.08618	2.3
96.08936	0.7
97.06541	0.2
97.09233	0.1
98.98466	2.5
100.41230	0.1
104.10748	2.0
105.07029	0.7
107.08601	0.4
108.08932	0.2
109.10160	0.6
117.07027	0.2
119.08607	0.2
121.10151	0.2
125.00011	19.2
128.06287	0.1
131.08569	0.1
132.09004	0.1
133.10143	0.3
133.95387	0.1
135.11736	0.1
147.11757	0.2
149.13242	0.2
159.07950	0.1
159.10210	0.1
161.13193	0.1
173.13181	0.1
184.07349	100.0
185.07680	0.4
215.12840	0.6
216.13155	0.5
217.13452	0.1
231.64980	0.1
261.22214	0.2
335.25885	0.4
336.26120	0.7
337.26587	0.4
412.20740	0.2
476.34662	0.3
477.34970	0.5
503.36963	0.3
638.40991	0.2
656.42126	0.2
674.43890	7.1
675.44202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05514	47.2
55.39269	2.2
57.03445	13.8
57.07069	10.0
59.04965	2.2
59.44616	2.2
61.02925	3.0
67.05181	4.7
67.05509	65.5
69.03432	5.9
69.07077	21.2
71.08642	4.1
71.52640	2.9
73.02969	2.4
73.06554	3.4
79.05498	46.1
80.05023	2.6
81.07067	54.5
83.04973	6.0
83.08618	24.5
85.10172	3.5
86.09700	8.3
87.04470	2.8
89.06036	29.5
91.05483	20.5
93.07050	43.5
95.04988	3.3
95.08613	45.7
96.08958	2.6
97.06513	3.4
97.10175	35.9
100.63319	2.4
105.07013	14.1
107.08595	37.5
109.10170	21.0
110.10522	2.2
112.41100	2.3
117.06985	4.2
117.09183	2.4
119.08571	16.7
121.10147	20.6
123.11691	7.1
125.09621	25.2
130.45082	2.5
131.08565	12.3
133.08624	15.1
133.10139	9.4
135.11714	13.2
137.13281	3.2
143.10664	6.3
145.10097	10.0
147.11729	4.8
149.13246	8.5
159.11720	4.1
161.13280	7.6
163.14815	4.7
173.13234	7.3
177.11218	6.9
184.07350	22.5
185.07672	5.8
186.07866	3.0
187.14783	2.7
199.13211	3.2
199.14967	2.8
215.12784	5.6
217.14354	98.1
243.21111	9.2
243.23232	3.3
248.06799	2.8
261.22116	33.5
317.24850	5.0
335.25806	100.0
337.27231	7.2
353.26910	8.6
385.30722	4.2
403.32159	18.2
421.33109	2.7
459.35031	3.5
477.35803	96.7
478.36505	3.0
495.36902	6.8
674.41559	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	674.448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15681	1.2
55.01865	2.9
55.05512	49.6
57.03440	12.9
57.07074	2.9
58.85689	1.2
61.02911	1.9
65.03938	2.4
67.05507	58.6
69.00745	1.4
69.03432	3.2
69.07072	18.4
69.61484	2.6
69.61879	6.4
71.04990	1.8
73.02914	1.2
79.05498	45.5
81.03422	3.2
81.07059	60.5
83.04982	5.5
83.08620	22.0
83.15523	1.4
85.02902	3.8
85.06520	3.8
86.09704	2.8
91.05479	18.0
93.07047	37.5
95.04977	3.9
95.08613	40.1
97.06547	3.3
97.10172	40.8
99.08067	1.4
105.07045	13.9
107.08593	36.9
109.06480	1.7
109.10170	22.8
111.08079	2.8
117.07048	6.3
119.08592	12.2
121.10145	18.7
123.11703	5.4
125.09631	26.9
129.06985	1.3
131.08580	10.9
133.10143	9.1
135.08076	1.5
135.11688	15.3
136.50386	1.3
137.09650	2.2
137.13251	4.2
143.10687	4.2
145.10136	7.5
147.11700	6.4
148.88123	1.4
149.13277	10.3
151.11235	1.6
154.97867	1.3
159.11697	7.2
161.13255	7.2
163.14828	6.9
171.11696	1.7
173.13274	5.6
175.14769	2.8
177.16383	2.1
179.14252	1.5
182.86568	1.6
184.07375	8.7
187.14865	3.5
199.13249	2.2
215.12849	7.7
217.14352	100.0
233.22636	2.1
243.21062	15.3
261.19415	2.6
261.22134	40.4
279.23254	2.1
317.24814	4.6
335.25815	76.0
337.27151	6.6
353.26926	11.9
385.30811	2.1
400.12927	1.4
402.37454	1.7
403.32117	10.3
433.41187	1.3
459.34378	2.1
477.35760	67.7
477.77731	1.5
495.36905	3.2
674.42474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54815	0.5
69.03432	0.8
70.06577	1.8
71.52313	0.5
73.38720	0.5
85.02914	2.4
85.25085	0.5
86.09708	0.9
104.29006	0.5
116.98656	0.5
127.03956	0.9
139.03883	0.6
139.73792	0.5
140.08102	0.5
145.04936	0.6
147.04437	1.3
156.46533	0.5
182.05952	0.5
185.04231	14.5
187.03677	28.7
188.00458	0.6
215.54828	0.5
349.08951	100.0
350.09314	1.7
351.08417	3.4
513.13763	12.9
675.18604	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	676.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35443	0.1
51.80089	0.1
55.05501	0.5
56.05034	0.5
57.03430	0.3
57.07076	0.2
58.06356	0.2
58.06617	0.6
59.07396	0.2
60.08165	6.2
67.05496	1.1
69.07050	0.6
70.69547	0.4
70.69878	0.3
71.07378	3.0
76.30708	0.2
79.05477	0.5
81.03407	0.3
81.07047	0.7
83.08626	0.5
86.09705	28.6
91.05501	0.7
93.07021	0.5
95.08594	0.6
97.10141	0.3
98.97863	0.3
98.98458	2.9
104.10763	1.7
105.07041	0.5
107.08607	0.3
108.38247	0.2
109.10138	0.5
117.07017	0.2
119.08570	0.5
125.00005	18.9
133.10155	0.3
145.10126	0.2
184.07339	100.0
185.07686	0.6
337.40771	0.2
371.23367	0.2
389.64078	0.2
412.21179	0.3
504.37769	1.0
623.43280	0.2
676.45422	6.6
677.46179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	1.5
55.05504	0.8
56.82540	0.4
57.03429	1.1
58.99580	0.6
61.02934	2.2
65.03934	0.5
67.05504	0.7
69.03086	0.5
69.03437	6.7
70.06583	1.3
71.04998	0.7
71.52810	0.5
72.08150	1.3
73.02924	0.8
76.02238	0.6
76.93902	0.4
79.05498	0.6
81.03419	2.1
81.07055	4.6
83.01350	0.6
83.08630	0.4
84.04501	3.4
85.01126	0.9
85.02911	14.2
86.09715	0.9
87.02687	1.2
87.04468	1.1
91.03993	0.6
91.05479	1.2
92.40158	0.4
93.07040	1.0
94.70103	0.4
95.04965	1.6
95.08617	0.6
97.02307	0.4
97.02900	5.5
99.04433	0.6
102.05576	0.5
103.05439	0.5
105.07010	0.6
107.04961	3.0
107.08627	0.6
109.02890	2.1
117.06951	0.4
119.04937	1.7
120.08121	1.2
121.06493	1.1
122.02743	0.7
123.04447	4.2
127.03931	4.2
130.04973	1.1
135.04407	0.6
135.08090	0.6
136.07552	0.4
137.02296	0.5
137.06007	0.7
139.03893	1.5
139.08710	0.4
145.02856	0.9
145.04990	2.6
145.05977	0.4
147.04434	2.3
149.02296	0.6
151.03949	2.1
155.03426	1.2
159.04762	2.8
163.03943	2.8
165.05489	2.6
166.08423	0.4
167.03430	1.1
167.07132	0.5
169.04958	4.8
176.07437	1.3
177.05457	2.1
179.03381	6.8
181.04967	10.0
183.02873	0.9
184.09737	0.6
185.04451	2.4
187.03900	1.0
187.06052	0.6
187.07579	0.8
191.03461	0.5
192.14018	0.4
195.06595	0.6
197.04469	41.4
201.09193	0.5
201.33002	0.4
205.04967	3.5
205.08569	1.5
209.04485	2.5
209.08093	1.1
211.06000	1.1
219.10120	1.0
221.04376	0.5
223.06032	7.0
223.09673	1.8
229.08600	0.9
236.06917	0.5
241.13359	0.5
247.09650	2.7
248.96997	0.4
251.06923	1.1
265.10721	100.0
266.11020	1.9
275.56027	0.5
289.06808	0.7
305.11819	0.8
309.09674	1.3
313.12045	0.5
331.08093	0.8
341.85199	0.4
373.14331	0.7
387.14444	0.5
427.16028	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05519	1.2
57.03438	0.9
61.02932	1.7
67.05500	4.0
69.03427	1.1
70.06293	3.1
79.05493	3.8
81.03432	1.3
81.07059	4.3
82.07394	0.9
85.06548	1.3
91.05490	3.7
91.41386	0.9
93.07037	1.9
93.99268	0.8
95.04960	1.6
95.08594	2.4
97.02908	1.0
97.06511	1.4
100.45433	0.8
105.07022	1.6
107.05019	1.0
107.08588	1.6
109.10187	1.7
111.98907	0.9
119.04945	0.8
119.08609	1.4
120.08116	1.3
129.07001	0.9
131.08658	1.2
133.10158	1.7
135.11687	1.2
142.07800	1.0
147.04547	1.4
147.11667	1.4
148.07520	1.3
148.12039	0.9
155.03452	1.0
177.05602	1.2
183.09183	1.1
184.07394	2.4
193.05104	1.0
195.09213	3.4
196.09952	4.2
197.04474	2.0
206.08391	2.1
207.09184	2.4
208.07718	0.8
208.09943	2.0
210.07771	1.0
210.11403	1.1
211.06041	3.4
211.08720	1.3
211.12296	1.5
212.06351	2.4
212.09296	2.8
212.10768	3.9
213.10286	2.2
221.07158	0.9
221.10773	2.4
223.08673	2.2
223.12315	1.7
224.09515	3.2
225.10260	3.7
226.11015	2.5
227.11902	1.6
228.08911	1.7
234.07851	1.4
235.08704	5.9
236.09422	7.9
237.10278	7.5
238.10944	2.3
239.11829	9.9
240.12370	1.1
241.09686	2.5
241.13383	44.8
242.10547	1.0
249.10272	15.2
250.08684	1.9
250.11066	4.7
251.11803	6.9
252.08882	1.3
254.06683	1.0
254.10577	1.6
257.12646	1.0
263.08127	8.0
264.08923	6.7
265.09848	2.9
266.10645	5.0
267.11328	18.0
267.15887	1.4
269.09348	1.0
269.12598	1.3
271.10861	2.0
277.09702	16.6
278.10507	8.2
279.11331	12.3
281.09253	6.2
282.10159	1.3
285.12402	7.5
289.09772	1.1
292.08456	23.5
295.10773	1.6
300.11154	1.5
301.11890	1.4
305.05698	1.6
305.09247	33.0
306.10150	1.8
307.10815	6.4
309.08606	1.0
310.09518	18.3
311.10437	1.1
323.10287	14.3
325.11816	2.4
333.08847	5.2
333.12814	1.1
338.12634	2.6
351.09808	45.6
365.11191	1.4
369.10873	16.9
383.12433	100.0
401.13437	1.0
461.29141	1.5
462.29205	3.6
480.30008	1.3
591.22546	8.6
609.23505	7.8
627.23749	1.4
639.82880	1.0
641.26361	1.9
677.32104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51105	3.0
55.05513	15.8
55.10954	2.8
56.29375	2.8
57.03441	3.5
58.84609	2.9
60.77882	2.9
61.02932	19.7
67.05511	92.2
69.03416	4.3
69.07057	12.0
69.25192	27.6
71.04967	4.1
73.02893	8.5
74.81894	3.0
79.05498	44.1
81.07057	87.6
83.04966	3.0
83.08610	8.0
85.02908	25.5
88.07631	3.6
91.03963	16.8
91.05489	23.9
93.06481	4.6
93.07047	61.5
95.08607	72.7
97.02885	10.3
98.45943	3.4
105.07014	18.5
107.08597	43.8
109.10155	35.3
117.06992	6.8
119.08568	19.0
121.10149	35.0
123.08116	3.8
123.11727	18.6
127.03915	7.4
131.08571	20.7
133.10123	16.9
133.11713	2.9
135.11705	31.4
137.13229	8.7
145.04970	8.7
145.10144	16.6
147.11696	11.8
149.13248	20.1
159.11685	12.6
161.13220	10.3
163.06062	15.5
163.14841	16.4
165.12843	3.5
173.13275	14.3
175.14925	3.6
177.16383	5.2
179.14288	4.0
187.14868	10.2
193.04988	7.2
205.15918	3.4
211.84459	2.9
215.18066	4.2
233.22514	3.0
243.21121	34.6
256.26437	14.3
261.19440	6.8
261.22137	100.0
279.23227	5.9
335.25833	34.3
353.26843	45.7
497.30835	9.7
564.98193	3.1
677.54895	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.72488	1.1
55.01865	2.1
55.05516	16.5
56.42643	1.1
57.03448	6.6
57.07073	3.3
61.02935	18.5
65.03937	2.7
65.53455	1.2
67.05511	84.0
69.03416	3.2
69.07078	14.8
69.30770	4.3
69.31187	6.1
71.05000	2.7
71.08634	1.8
73.02925	8.1
75.04491	2.1
75.64240	1.2
79.05502	49.6
81.03413	2.7
81.07066	98.5
83.04994	2.6
83.08632	8.6
85.02912	22.9
85.06532	2.9
91.03962	21.5
91.04978	1.7
91.05494	23.0
93.07051	63.0
95.04977	2.8
95.08617	73.9
96.08970	1.4
97.02901	10.7
97.06522	3.5
97.10144	4.6
98.21503	3.0
99.04460	1.8
99.08091	2.9
103.03943	1.7
105.07045	20.6
107.08604	39.8
109.06502	2.6
109.10166	39.4
111.08108	2.5
113.09632	2.0
117.07037	11.7
119.08584	18.8
121.10156	39.9
123.08023	1.9
123.11709	21.6
125.09643	1.6
127.03913	6.2
129.07141	1.3
131.08582	21.1
131.60094	1.2
133.10136	16.7
135.11703	29.7
137.09636	2.4
137.13255	7.4
139.11221	1.8
145.04977	9.2
145.10132	17.7
147.11711	17.6
149.09543	1.2
149.13275	23.7
151.14850	3.3
153.12787	2.4
159.11700	13.7
161.13268	12.3
163.06036	12.7
163.14821	16.1
165.12767	3.8
165.16396	1.7
166.03296	1.3
173.13281	17.8
175.14850	6.3
177.12845	1.4
177.16422	7.5
184.07265	1.7
187.14821	11.1
191.14314	1.9
201.16373	3.7
202.02663	1.3
205.15881	2.6
215.17812	1.8
215.82118	1.2
233.22624	2.7
243.21098	38.7
261.22168	100.0
263.23724	3.4
279.20380	1.4
279.23065	6.3
335.25833	37.6
335.29855	1.8
353.26895	43.5
405.26285	1.4
497.31113	7.9
585.48145	1.4
659.36292	1.5
677.35309	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31113	1.0
53.03926	2.2
55.01876	1.5
55.05516	12.5
57.03448	6.0
57.07061	2.9
61.02654	1.8
61.02931	25.4
61.11387	1.2
65.03950	1.5
67.05507	70.0
69.03416	3.8
69.07067	11.4
69.78130	6.2
71.04982	4.9
73.02922	10.0
75.04476	1.3
79.05499	39.2
80.18919	1.1
81.03416	3.4
81.07062	68.2
81.37396	1.2
83.08625	8.5
85.02909	29.9
85.06533	2.1
85.10155	1.2
91.03416	2.0
91.03958	27.7
91.05480	23.8
93.07050	55.3
95.04965	3.1
95.08607	53.8
97.02895	15.4
97.06538	2.7
97.10154	3.4
98.20788	1.4
99.04456	2.3
99.08078	3.4
105.07040	17.9
107.04961	1.8
107.07881	2.0
107.08597	37.4
109.10159	35.0
111.08093	2.4
111.11682	1.1
115.03901	1.5
117.07008	10.0
119.08579	16.8
121.09347	2.2
121.10157	33.2
123.11719	18.9
125.09638	2.9
127.03915	10.7
131.08568	20.8
133.10135	15.4
135.11690	28.7
137.09624	2.4
137.13243	5.6
139.11205	3.2
145.04971	11.6
145.10127	16.6
147.11697	13.0
149.13261	21.4
151.11124	2.3
151.14816	2.4
159.11713	12.6
161.13258	11.4
163.06026	21.4
163.14833	15.1
165.12714	3.0
167.06473	1.3
173.13289	17.3
173.88432	1.2
175.14839	4.1
177.12740	3.3
177.16351	6.0
179.14343	3.6
187.14816	10.6
201.16325	2.8
205.15898	2.9
215.18016	2.0
233.22748	3.2
243.21101	37.8
261.22150	100.0
263.23865	3.3
279.23175	2.8
335.25833	21.9
353.26877	44.1
414.47992	1.3
448.27792	1.3
461.95697	1.3
479.29379	1.4
497.30917	4.3
504.82663	1.3
677.34985	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	678.406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00380	1.1
53.03956	2.9
54.67266	1.1
55.01872	3.3
55.05516	10.9
57.03446	8.5
57.07078	2.2
59.04995	1.5
61.02917	3.9
65.03950	3.2
67.05510	72.8
69.03429	2.1
69.07072	10.7
69.85287	1.1
70.79382	1.0
71.05003	18.1
71.52407	1.2
71.87683	1.2
73.02905	2.1
79.05496	29.1
80.24897	1.1
81.03417	6.1
81.07062	60.9
83.04995	7.7
83.08627	11.8
85.02911	5.0
85.06570	5.9
86.09709	4.9
91.05489	22.0
93.07048	47.1
95.04990	3.8
95.08617	14.8
97.06554	10.3
97.10159	4.7
99.08091	3.6
105.07044	7.4
107.04886	1.4
107.08604	23.1
109.06509	2.7
109.10154	25.1
111.08097	3.1
117.07017	5.5
119.08582	7.7
121.06511	1.4
121.10136	10.1
122.99059	1.2
123.11718	6.8
125.00006	4.3
125.09638	1.4
131.08572	5.0
133.10149	10.2
135.08104	1.3
135.11697	25.9
137.09639	4.1
145.10155	3.6
148.35262	1.2
149.13242	10.6
151.11192	3.4
152.35724	1.2
157.60008	1.0
159.11742	6.2
163.11174	3.4
173.11789	2.3
177.12801	3.1
181.12285	4.9
184.07327	23.1
187.13301	2.9
195.13812	5.0
196.58495	1.3
241.78210	1.4
243.15929	1.5
255.15924	8.3
269.17508	17.0
287.18500	6.3
301.20285	2.8
423.27454	56.2
437.29001	9.0
445.29376	1.7
449.29007	100.0
450.29636	2.6
463.30521	25.1
481.31662	49.6
508.09238	1.4
625.36145	2.2
643.81421	1.4
679.33063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01878	2.5
55.05514	26.5
55.93857	1.5
57.03431	6.2
57.07089	9.0
61.02928	20.7
67.05511	83.6
69.03429	4.0
69.07074	30.3
69.07431	3.6
69.85802	7.1
71.05004	2.2
71.08640	7.1
73.02920	8.3
79.05492	27.4
81.03436	2.7
81.07063	100.0
83.04977	2.2
83.08623	27.6
85.02918	20.4
85.06553	4.2
85.10168	3.2
86.09731	1.7
91.03963	20.4
91.05482	18.7
93.07043	24.6
95.04981	3.5
95.08614	89.6
97.02912	12.4
97.06547	8.5
97.10168	19.3
99.08075	3.7
105.07040	15.0
107.08600	20.4
109.10168	41.2
111.04489	2.3
111.08098	4.1
111.11754	4.8
113.02457	1.7
113.09637	2.9
119.08595	15.8
121.10149	24.0
123.08081	2.4
123.11729	25.9
125.09661	3.3
125.13327	2.8
127.03904	8.3
127.11184	2.2
129.05554	2.4
131.08627	2.8
133.10143	18.8
135.11705	13.2
137.09665	2.5
137.13284	7.9
141.12755	4.8
145.04973	8.9
145.10164	2.8
147.11703	13.8
149.13281	10.6
151.11195	2.7
151.14828	3.9
155.14330	4.1
161.13283	15.2
163.05995	12.7
163.14812	10.6
165.16354	8.2
175.14821	13.8
177.16339	2.5
179.14369	2.8
179.17986	7.9
184.07364	3.0
189.16429	6.2
193.05078	2.3
193.15918	2.8
245.22662	76.2
256.26520	2.0
257.26736	3.3
263.23730	99.2
265.25494	1.9
277.39352	1.6
281.24780	2.0
335.16418	2.5
337.27380	79.7
355.28503	9.3
445.29230	2.8
499.32443	8.3
679.36121	7.9
679.53131	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	680.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74174	1.6
57.07081	43.0
58.51968	1.3
67.05505	4.3
70.68237	3.8
80.52728	1.1
81.07044	4.9
83.08652	1.9
89.61601	1.2
89.94490	1.4
91.05486	4.7
95.04961	1.4
95.08594	3.6
96.32204	1.5
105.07030	1.6
109.06525	1.5
109.10133	1.8
133.10136	1.4
137.05959	9.5
147.11717	8.5
149.48206	1.3
174.06024	1.6
215.15282	1.6
233.03685	2.9
251.04704	11.5
277.18015	3.6
307.10965	2.0
311.91306	1.7
327.07809	85.9
337.27417	5.9
383.14066	56.6
439.20370	97.7
495.26590	78.6
496.26669	2.9
531.40363	3.8
551.32788	42.0
551.49768	2.1
607.39160	100.0
608.39301	2.5
613.44537	8.0
663.45410	79.5
664.46704	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09188	2.8
53.03942	5.5
54.24173	2.8
55.01853	2.9
55.05519	19.3
57.03443	6.3
57.07064	5.8
58.83038	3.2
65.03935	3.5
67.05174	4.6
67.05506	52.4
69.07070	21.7
71.04975	3.8
71.08633	41.3
75.57298	3.3
76.25652	3.0
79.05501	47.7
81.03400	5.5
81.07064	67.0
83.04964	9.9
83.08630	18.9
85.06524	3.9
85.55392	3.8
91.05490	36.2
93.06492	4.7
93.07050	68.1
95.04961	11.1
95.08611	45.2
97.06520	10.4
97.10169	8.1
99.08102	24.9
105.07030	26.7
107.04947	5.4
107.08592	40.0
109.10172	17.2
111.08046	6.0
113.09626	4.8
117.06989	7.0
119.08576	25.7
121.10149	29.1
131.08556	8.8
133.10175	18.4
133.10989	2.9
135.08037	4.0
135.11694	25.2
137.09546	3.8
145.10097	10.0
147.11671	10.1
149.13260	14.1
149.46536	4.2
151.11180	19.2
159.11685	7.4
161.13268	12.6
163.11172	13.1
171.11664	6.6
173.75421	3.1
175.14722	3.7
177.12732	4.6
179.14311	70.3
184.07303	4.4
195.13765	4.4
215.12869	3.2
221.15367	5.0
241.19569	4.2
251.16489	4.3
259.20541	5.8
269.17490	25.6
277.21622	73.4
293.21118	10.1
295.22696	6.6
329.69699	3.1
335.25647	6.8
349.72812	3.3
351.25323	57.9
367.25156	4.3
508.37112	4.5
545.30560	6.5
545.38434	100.0
627.46198	47.2
645.46686	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	681.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.94704	0.4
56.96566	11.3
67.05466	0.5
69.03396	0.5
71.53024	0.6
71.95243	1.2
72.96007	1.3
79.05451	0.8
81.03400	0.9
81.07021	1.0
83.08558	0.4
84.96040	0.4
85.02873	0.8
91.05435	0.7
93.06984	0.6
95.08583	0.4
97.96804	0.5
101.02354	0.5
105.07004	0.8
107.08586	0.4
109.10136	0.8
110.97556	0.5
119.08536	0.4
133.10121	0.6
137.02728	0.6
145.04840	0.5
151.04231	0.5
163.11044	0.5
192.36031	0.4
193.08640	0.5
195.34010	0.4
197.08334	0.4
200.33638	0.4
200.90527	0.4
219.45959	0.4
223.10005	4.2
229.07416	0.4
230.29796	0.4
235.10036	7.3
235.12195	0.6
241.11105	43.8
242.11490	0.6
253.11108	78.2
254.11464	0.8
259.12192	29.6
260.12296	0.5
264.12723	2.8
265.17383	0.4
271.12164	78.8
272.12521	1.3
276.12674	1.9
282.13794	1.7
289.13239	2.1
294.13754	11.2
298.08716	0.5
434.23334	0.5
453.21060	0.5
467.26828	100.0
468.26733	2.4
469.20383	0.8
681.34521	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	683.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03942	0.6
55.01873	0.7
55.05518	1.2
57.03434	2.7
57.07058	0.5
59.04982	0.2
59.48127	0.2
61.02909	0.5
67.01864	1.0
67.05505	1.4
69.03416	1.4
69.07063	1.6
70.06598	0.3
71.01368	0.5
71.04992	18.1
73.02906	0.6
75.04474	0.6
76.59903	0.2
79.05486	1.3
81.03405	0.7
81.07056	0.8
83.01325	1.1
83.04973	2.0
83.08620	0.7
85.02905	22.6
87.04462	1.0
91.03980	0.2
91.05466	3.9
93.07040	2.6
95.04950	1.3
95.08598	2.1
97.02927	1.1
105.03358	0.4
105.07030	5.4
106.07823	0.3
107.04946	0.4
107.08597	5.6
109.02864	0.6
109.06559	0.3
109.10159	2.2
111.04441	0.9
113.02356	0.5
117.07024	1.2
119.04955	0.4
119.08578	11.3
120.09361	0.4
121.06493	0.3
121.10138	4.2
123.04414	3.0
123.08044	0.3
123.11683	0.4
127.03902	0.6
128.06207	0.2
129.05484	4.3
129.06978	0.5
131.04967	0.2
131.08572	4.5
132.09351	0.5
133.02832	0.6
133.10130	11.8
135.08063	0.7
135.11687	16.3
137.02344	0.8
137.09644	0.9
143.08572	1.6
144.09335	0.5
145.04918	0.5
145.10118	2.1
147.04489	1.1
147.06525	1.4
147.11684	69.7
148.12035	0.7
149.02344	0.6
149.13210	1.5
151.03912	5.0
155.03398	1.8
157.10136	0.6
158.10913	2.1
159.08148	0.5
159.11681	2.1
161.02322	0.4
161.06073	0.4
161.13248	7.1
163.03882	0.7
163.14865	1.2
165.01859	0.9
165.05486	0.3
167.03391	1.1
167.08688	0.2
169.01242	0.4
169.04958	8.1
171.08076	0.6
171.11703	0.4
173.06075	0.3
173.09689	0.3
173.13263	10.1
174.13985	0.7
175.03929	0.7
175.14844	0.7
177.05460	0.6
179.03392	12.1
181.04941	1.0
181.10104	0.8
183.02884	3.6
185.04500	1.4
185.05901	0.3
185.09612	0.6
187.03926	0.3
191.03450	0.3
191.07062	0.3
191.14314	3.7
193.04947	2.1
195.02896	0.8
195.06520	0.5
195.08064	1.0
197.04449	43.2
198.04791	0.3
199.07526	1.2
199.11197	0.5
201.05580	0.3
203.03400	5.7
205.04900	0.7
207.06531	0.5
209.04468	1.1
209.06190	0.3
209.09669	1.2
211.02383	0.8
211.05988	5.7
211.07967	0.3
213.04044	0.6
213.09021	0.9
217.04932	2.5
217.08481	0.3
219.06390	0.6
219.08258	0.3
221.04439	15.7
223.05899	3.8
223.07646	0.6
225.03949	0.3
225.07588	0.8
227.07121	0.6
227.10698	0.5
229.72040	0.3
231.06557	0.7
235.03754	0.5
235.06003	6.8
237.07475	1.0
237.09183	1.2
240.07735	0.6
241.08580	2.4
245.08083	0.5
247.05623	0.2
249.07590	2.5
251.07060	0.6
251.09224	0.3
255.06349	0.3
255.10202	1.2
255.13695	0.2
257.08078	0.4
259.09695	0.7
263.09097	2.6
265.08569	1.6
268.07385	0.3
269.08099	1.1
271.06036	0.3
271.09567	0.7
273.07635	0.9
273.11282	0.3
275.09119	0.9
283.09628	7.5
285.07776	0.5
285.10968	0.3
286.08459	0.5
287.09119	4.1
288.09802	0.5
289.10696	2.1
291.12231	0.6
293.13947	0.4
297.11148	1.0
299.09109	0.4
301.10681	16.8
302.11334	1.2
303.12210	0.5
313.10699	0.4
314.11591	0.4
315.12277	3.6
315.15790	0.4
319.11801	1.1
321.14648	0.4
327.12070	0.5
331.15256	0.7
333.13306	0.4
333.16861	0.5
339.15991	2.1
357.16943	100.0
358.17297	2.1
375.18008	99.5
376.18311	1.8
394.20227	0.3
433.52670	0.3
503.22806	0.5
519.21967	0.8
521.23407	0.2
537.23376	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	685.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11413	0.2
53.03938	0.3
55.01884	0.3
57.03417	0.3
63.83810	0.3
65.03940	2.1
67.05495	0.4
68.99797	0.3
69.03439	0.5
70.06596	0.4
71.01359	0.7
71.52827	0.3
76.02242	0.4
76.03138	0.3
77.03932	0.9
79.05499	0.6
81.03389	0.6
81.07057	0.8
83.01372	0.3
84.04511	0.5
84.08144	0.8
85.02913	2.3
85.91576	0.2
86.09717	0.7
89.03931	1.1
91.05482	31.5
93.07082	0.3
95.04958	0.6
97.02896	0.5
103.05453	1.2
105.03397	0.9
105.07060	0.4
107.04966	0.7
108.05758	0.4
113.02412	0.3
117.03397	0.4
118.04176	0.6
119.04945	44.1
120.05283	0.5
120.08112	0.6
121.02851	0.7
123.04417	0.6
129.03384	0.8
129.04489	0.5
130.04999	0.2
130.08649	0.8
131.04936	1.0
132.02066	2.2
132.05690	0.3
133.02872	0.9
133.06468	0.3
135.04396	1.2
136.05217	0.5
137.02361	0.6
137.05992	0.3
141.01848	0.4
145.02885	1.4
146.03654	0.3
147.04411	35.3
149.02313	1.7
150.03165	0.4
151.07495	0.3
153.01828	1.0
153.05486	0.3
154.06274	0.5
157.02812	0.3
157.03979	3.6
160.01506	0.3
161.05974	0.5
162.03070	0.3
163.03882	0.6
164.04721	1.1
165.01859	0.4
169.04968	0.5
173.02475	0.3
173.06078	0.5
175.03911	61.6
176.04391	0.8
177.05464	1.9
179.03423	0.5
179.05031	0.2
179.05319	0.3
179.07036	3.3
181.04953	0.6
183.02916	0.4
185.04506	0.4
189.05547	0.3
191.07040	0.6
192.04155	0.7
192.07813	3.0
193.08575	0.3
194.05779	0.4
197.04491	1.6
199.07628	0.3
201.05502	0.9
202.06171	0.3
205.04930	0.6
205.08459	0.3
207.06529	100.0
208.06836	0.7
213.05367	0.2
219.06578	1.5
225.07558	1.0
229.04987	1.2
231.06577	0.6
233.08174	0.2
235.05983	0.9
238.55122	0.2
247.06049	0.6
257.04343	0.6
259.13043	1.6
261.07550	0.5
262.08377	1.2
265.10675	3.4
285.03891	0.3
289.11673	0.2
290.07840	15.6
291.08395	0.6
301.06946	0.3
303.05002	25.7
304.05188	0.5
319.08038	0.5
321.09570	0.4
329.06522	0.3
339.10416	0.3
347.07462	0.7
365.08713	2.4
383.09729	6.6
483.98206	0.2
652.42200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74942	0.2
53.03937	0.6
53.91742	0.2
55.01862	0.7
55.05517	0.4
57.03440	1.4
57.07058	0.7
61.02926	1.7
67.01859	0.4
67.05496	1.2
68.35271	0.2
69.03090	0.2
69.03436	4.4
69.07054	0.5
69.32283	1.7
70.06586	0.4
71.01345	0.3
71.04983	0.8
73.02906	0.7
74.79377	0.2
79.05500	1.5
81.03417	2.6
81.07063	5.6
83.01337	0.8
83.04984	0.2
83.08588	0.3
83.73441	0.2
84.04506	9.7
84.08146	18.1
84.98940	0.2
85.02908	12.5
85.06541	0.4
86.09701	2.2
87.04468	0.6
90.33865	0.2
91.03941	0.5
91.05471	0.6
93.07014	0.3
95.04977	1.9
95.08610	0.4
97.02902	3.9
97.06522	0.3
99.04446	1.0
102.05567	0.3
105.07005	0.3
107.04943	0.4
107.08606	0.3
109.02888	1.7
109.10144	0.3
112.07587	0.2
113.02369	0.2
113.06012	1.5
119.04991	0.2
121.06507	0.3
121.10194	0.3
123.04443	1.4
123.08080	0.2
127.03931	2.3
130.05003	2.9
130.08647	17.8
131.04922	0.4
133.02794	0.3
133.10085	0.2
135.04451	0.6
135.08041	0.5
137.02266	0.2
139.03931	1.0
145.04968	1.9
145.06465	0.3
147.04416	0.6
149.06001	0.6
150.09152	0.7
151.03908	3.7
153.05435	0.5
155.03383	0.9
159.04373	0.3
159.08076	0.5
161.02298	0.3
163.03941	3.2
163.07510	0.5
165.01826	0.3
167.03384	0.8
169.01407	0.3
169.04970	7.6
173.09689	0.2
177.04018	0.3
177.05444	1.8
177.09109	0.3
179.03397	11.5
181.04965	11.2
183.02934	0.7
183.08029	0.4
185.04442	0.7
187.02409	0.4
187.03850	1.4
187.07585	1.1
191.03461	0.3
193.04997	0.6
195.02783	0.3
195.06520	1.4
196.09697	2.6
197.04460	50.0
198.04768	0.4
198.11244	0.6
201.09102	0.7
205.04958	3.8
205.08583	1.5
207.06546	0.3
209.04478	2.2
209.08025	1.4
209.11723	0.2
211.05984	0.9
211.07693	0.3
215.14008	0.2
218.05774	0.3
219.10162	0.8
223.06027	7.6
223.09460	1.7
229.08618	1.2
236.06741	0.4
237.07562	0.3
241.11670	0.2
242.10257	2.5
247.09686	3.2
259.12909	34.8
260.13300	0.6
265.10712	100.0
266.11060	1.3
359.09909	0.2
427.15997	4.9
437.08569	0.3
634.61011	0.2
685.32379	0.3
698.62317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.01882	11.0
55.05513	28.7
57.03442	10.8
57.07074	4.1
65.03938	5.9
67.05510	64.4
67.05840	5.8
68.99794	2.9
69.03451	6.1
69.07076	24.9
71.01344	6.2
71.05009	4.3
71.08633	3.7
71.30207	2.5
71.52621	3.3
79.05497	55.8
81.03431	13.7
81.07064	67.5
83.04996	8.9
83.08620	16.0
85.02931	3.1
91.05476	48.2
93.07052	50.8
95.01362	3.5
95.04969	15.0
95.08614	44.1
97.02915	3.6
97.06551	9.6
97.10177	7.0
103.05474	4.3
105.03427	2.9
105.04593	3.6
105.07039	40.9
107.04958	13.7
107.08619	33.1
109.02925	4.0
109.06512	6.8
109.10174	19.8
111.08103	5.7
115.05463	6.5
117.07030	22.0
119.04988	5.3
119.08586	31.9
121.02928	4.3
121.06525	5.6
121.10141	16.0
123.04469	4.6
123.08116	5.8
123.11720	4.4
125.05986	3.5
125.09599	4.5
127.03876	3.0
128.06227	4.4
129.06975	16.6
131.04948	6.5
131.08560	26.3
133.06529	7.8
133.10136	25.6
135.04466	13.0
135.08112	4.7
135.11731	12.3
137.05994	4.5
141.07042	9.1
142.07800	4.5
143.08585	16.0
145.06488	8.5
145.10149	22.3
147.04402	17.0
147.08037	5.5
147.11685	18.1
149.02332	4.0
149.05998	7.0
149.09676	5.4
149.13310	8.7
151.03929	7.0
153.07053	3.7
155.08604	12.3
157.06483	5.9
157.10101	16.6
159.04439	3.6
159.08110	5.4
159.11699	18.4
161.06027	7.4
161.09671	4.2
161.13341	4.9
163.03949	8.4
167.08665	5.7
169.10225	9.6
171.08127	5.8
171.11795	9.5
173.05905	4.6
173.09677	6.2
173.13234	7.0
175.03978	10.5
175.07520	3.2
175.11191	6.6
179.03485	4.8
179.08607	4.9
181.10123	6.9
183.11745	6.7
185.06073	4.8
185.09662	6.9
185.13329	7.7
187.07558	3.9
187.11301	7.9
187.14859	4.0
189.05420	5.4
189.09187	3.5
191.03473	3.8
193.10336	3.5
193.12254	8.8
195.11748	4.9
197.09636	6.6
197.13361	6.9
199.07582	2.9
199.11322	6.1
201.09096	3.6
201.39145	2.9
202.07904	2.8
203.03426	3.6
207.11748	5.9
209.13327	3.7
211.11488	3.4
211.13237	4.7
215.10725	5.9
217.12352	9.3
221.09508	3.5
223.11006	5.5
225.09184	5.1
237.12801	3.2
241.12222	4.0
241.19408	3.2
241.75409	3.2
243.10213	3.2
243.21149	4.4
243.51994	3.2
245.11812	5.1
251.10600	6.4
261.22104	8.7
269.11871	11.0
271.13336	3.6
287.12750	37.3
305.13922	7.1
315.12280	25.1
317.25064	3.8
333.13364	38.0
335.25821	52.5
335.29834	3.3
351.14429	8.4
407.17050	19.5
547.34357	5.2
557.33026	4.4
560.17194	3.6
565.35535	5.7
573.48895	8.0
575.33942	10.6
593.34949	8.7
611.36279	8.9
649.37604	13.1
667.38269	57.0
685.39508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34119	0.2
53.03928	0.4
54.80066	0.2
55.01859	0.9
56.37787	0.2
57.03423	0.7
61.02932	1.2
65.03939	0.3
69.03429	2.7
69.94015	0.7
71.01348	0.4
71.04967	0.3
73.02922	0.2
79.05502	0.3
81.03429	1.6
84.84834	0.2
85.02908	11.1
87.04460	0.3
91.03953	0.6
91.05488	8.3
93.88056	0.2
94.71251	0.2
94.98448	0.2
95.04962	0.7
97.02905	3.3
99.00819	7.6
99.04472	0.6
107.04960	9.9
109.02887	5.2
110.15790	0.2
111.04422	0.3
113.95939	0.2
117.01865	3.8
119.04946	24.9
120.05753	2.4
121.02884	1.0
121.06494	1.8
123.04436	2.1
123.56287	0.2
127.03931	2.6
131.04871	0.4
133.02840	0.3
135.04422	10.9
136.05234	0.3
136.45052	0.2
141.06967	0.9
145.03947	0.3
145.04955	3.4
145.06464	0.7
147.04404	1.2
153.07022	1.3
155.08553	2.1
160.05226	0.2
162.07610	0.4
163.03873	0.8
163.06047	1.3
165.05623	0.3
165.07002	7.0
169.06523	0.3
177.05417	0.3
179.08554	0.5
180.08664	0.8
181.06462	0.3
183.08055	15.0
189.05406	0.4
189.06987	0.3
193.06204	1.5
193.07843	0.6
201.09125	0.6
207.08092	3.6
210.06715	0.4
211.07553	9.6
215.03349	0.3
217.06491	0.4
225.09055	0.5
228.07794	1.9
229.08603	100.0
230.08963	0.9
233.04405	1.1
235.07559	8.8
236.07954	0.4
239.07048	0.6
245.05846	0.4
251.07018	0.3
253.08612	5.5
261.06018	0.3
263.07050	17.4
264.07593	0.7
281.08099	17.2
282.08417	0.4
291.06516	5.4
292.07162	0.5
299.08969	0.3
309.07574	27.8
310.07916	0.5
327.08624	12.0
345.09680	3.7
510.48907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01857	1.0
57.03424	1.7
61.02923	3.0
62.95950	0.4
65.03925	0.5
69.03436	4.9
70.06590	0.6
70.63151	0.4
71.04974	0.6
71.51933	0.7
71.52293	0.4
72.42779	0.4
73.02901	0.7
78.06291	0.4
81.03421	2.8
82.00485	0.4
83.01334	0.5
85.02907	20.6
87.04453	0.6
91.03942	1.0
91.05486	8.6
95.04939	0.8
97.02897	7.6
99.00836	2.6
99.04485	0.9
107.04960	12.5
109.02885	6.3
117.01844	1.0
119.04949	25.1
120.05759	2.2
121.02877	1.4
121.06533	2.4
123.04437	3.3
127.03926	4.9
131.04944	0.6
133.02823	0.6
135.04424	10.6
136.05170	0.4
141.06972	0.8
145.03928	0.8
145.04974	7.6
145.06197	0.6
147.04414	1.6
153.07004	1.4
155.08525	2.2
160.05214	0.5
161.06017	1.7
162.07700	0.7
163.03961	0.6
163.06032	1.8
165.07007	6.1
177.05479	0.5
179.08589	0.7
180.08676	3.4
181.06482	0.6
183.08066	12.3
189.05478	0.9
189.06987	0.9
193.06342	0.9
193.07832	0.8
201.09056	0.8
205.04984	1.1
207.08049	4.9
211.07542	10.7
215.03459	0.6
217.06462	0.8
219.08009	0.4
221.05934	0.8
225.09053	0.5
228.07791	1.5
229.08607	100.0
230.08928	1.4
233.04460	2.7
233.76675	0.5
234.63834	0.5
234.99394	0.5
235.07539	14.9
239.07005	1.1
251.07140	0.6
253.08586	8.8
263.07056	30.0
264.07544	0.8
281.08099	29.6
291.06534	7.8
292.07205	0.8
309.07581	45.0
310.07745	0.6
327.08636	20.0
345.09705	2.6
346.97855	0.6
362.12308	1.9
377.89166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01866	0.5
57.03437	1.2
61.02931	1.7
63.02410	0.5
65.03958	0.7
69.03429	3.5
70.06572	0.3
70.50607	0.2
71.05020	0.5
71.31524	0.2
71.51940	0.3
71.52362	0.3
73.02927	0.6
79.05488	0.5
81.03416	1.6
85.02905	14.6
87.04491	0.3
89.03912	2.6
91.03959	0.7
91.05482	4.7
95.04990	0.3
97.02897	4.8
99.00820	1.1
99.04453	0.8
107.04961	2.6
109.02878	2.3
117.01894	0.3
117.03384	4.0
119.04943	16.2
121.02934	0.4
121.06579	0.3
123.04438	1.3
127.03928	3.3
135.04414	10.7
143.04918	0.4
145.02853	8.9
145.04947	5.1
145.05992	0.2
147.04411	94.9
148.04755	0.8
156.50366	0.3
161.06001	1.0
162.07607	0.9
163.03903	100.0
164.04239	0.9
165.05489	14.5
165.06862	0.9
180.08675	4.1
181.04959	11.6
181.06302	0.3
183.08020	1.2
207.08127	0.5
211.07495	1.1
223.04478	0.3
228.53520	0.3
229.08598	9.0
233.04289	0.4
235.07513	1.2
253.08492	0.6
263.07037	1.9
281.08118	2.0
283.09760	0.3
288.11710	0.3
291.06406	0.7
309.07373	2.5
325.08826	0.4
327.08740	1.7
345.09653	2.2
362.12308	0.8
623.89288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30652	0.4
53.03936	0.7
55.01860	1.3
57.03445	2.1
61.02927	2.9
64.89367	0.4
69.03086	0.5
69.03433	6.9
69.18221	3.4
70.06566	0.6
71.04994	1.0
72.06286	0.4
73.02915	1.1
79.05484	0.5
81.03422	3.8
85.02908	25.5
87.04425	0.6
91.03965	0.9
91.05486	8.5
95.04988	0.7
97.02896	8.5
99.00817	2.3
99.04448	1.5
107.04960	12.8
109.02879	6.4
117.01871	0.8
117.03376	0.7
119.04948	24.2
120.05751	2.5
121.02880	0.9
121.06495	1.9
123.04442	3.8
127.03924	5.6
135.04416	12.1
136.05229	0.6
139.03900	0.4
141.07040	0.4
143.04886	0.4
145.02869	1.2
145.04965	9.1
147.04411	16.8
153.06998	1.3
155.08571	1.9
159.04390	0.7
161.05998	0.4
162.07623	1.3
163.03917	14.9
163.05934	2.1
165.05495	3.4
165.07002	6.7
179.08519	0.7
180.08682	5.1
181.04982	2.9
181.06508	1.0
183.08057	13.9
187.03909	0.5
189.05450	0.6
189.07025	0.9
193.06322	2.0
193.07933	0.6
199.18474	0.4
201.09100	0.9
207.08069	5.5
211.07541	9.8
215.03467	0.5
217.06511	0.9
221.06015	0.5
228.07715	2.2
229.08604	100.0
230.08929	1.2
233.04410	1.6
234.07019	0.4
235.07555	14.8
239.07060	0.9
245.05746	0.4
253.08617	9.8
261.06049	0.4
263.07056	30.0
264.07364	0.5
281.08099	30.8
291.06516	10.1
292.07352	0.9
309.07568	41.0
326.27429	0.5
327.08633	20.2
345.09662	3.7
362.12289	1.4
363.32996	0.4
391.75055	0.4
709.14612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14244	0.6
52.56939	0.5
53.03946	1.8
55.01882	0.9
55.05518	11.8
57.03440	13.0
57.07080	2.1
58.76223	0.6
59.05008	4.1
61.02934	5.0
65.03954	2.8
65.77132	0.5
67.05509	96.3
69.03445	1.8
69.07072	8.7
70.09570	2.6
70.98042	0.6
71.04992	3.4
73.02933	0.6
79.05499	19.4
81.07063	38.9
83.04999	0.9
83.08625	8.3
85.02911	4.1
85.06564	4.0
89.49057	0.5
91.03967	2.4
91.05486	15.4
91.06016	1.0
93.07050	26.6
93.07638	1.3
95.04977	1.7
95.08614	27.7
97.02879	3.0
97.06551	1.4
97.10192	2.1
99.04468	0.6
99.08133	0.8
105.07039	7.5
107.08601	18.0
107.09303	1.1
109.06541	0.8
109.10165	76.3
111.08070	3.8
112.67601	0.6
117.07015	3.0
119.08596	12.5
121.10155	13.1
123.11709	3.9
123.61455	0.6
125.09678	1.7
131.08577	6.9
133.10135	4.6
135.11723	7.0
137.09616	4.1
137.13280	0.8
145.10135	4.5
147.11702	4.1
149.13280	5.2
155.10683	11.2
159.11667	3.0
161.13222	3.0
163.14827	1.8
170.09680	0.6
171.56850	0.6
173.11780	15.7
173.13275	2.9
175.14848	1.1
177.16409	1.0
187.14879	1.9
189.11267	0.9
201.16440	0.7
205.50455	0.6
227.12787	6.0
229.14366	100.0
230.14711	1.1
243.21075	4.8
261.22150	20.9
317.24765	3.8
335.25821	85.5
336.26114	2.1
397.31021	1.7
415.32077	0.9
433.33524	0.9
471.34641	2.1
489.35791	71.2
490.36035	2.3
507.36792	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01879	0.7
55.05515	11.5
55.89723	0.5
57.03442	13.6
57.07084	1.5
59.05010	4.1
61.02927	4.0
65.03948	2.4
67.05507	93.8
69.03423	1.4
69.07070	8.6
69.18265	5.2
71.04984	3.3
71.26546	0.5
73.02921	1.2
79.05494	18.9
79.16604	0.5
81.03431	1.1
81.07059	35.6
83.04987	0.6
83.08624	7.8
85.02909	4.3
85.06556	2.4
91.03970	1.6
91.05485	13.6
93.07048	24.1
95.04956	1.4
95.08605	25.9
97.02889	3.1
97.06530	1.7
97.10164	2.3
99.08101	0.6
105.07045	6.3
107.08597	14.7
107.09296	0.8
109.10160	78.6
110.10523	0.5
111.08115	3.4
117.07024	2.3
119.08581	11.7
121.10143	10.9
121.10926	0.9
123.11728	3.5
125.09628	1.5
131.08574	4.7
133.10127	4.2
135.11699	7.9
137.09634	3.4
137.13229	1.3
145.10129	4.0
147.11681	3.9
149.13263	4.5
149.74034	0.5
155.10655	9.4
159.11708	2.9
161.13313	3.4
161.14430	0.6
163.14828	2.2
173.11790	15.9
173.13297	3.3
175.14864	0.6
177.16444	0.9
180.08578	0.5
187.14825	2.0
189.11290	0.8
218.55315	0.6
227.12758	5.5
229.14362	100.0
230.14671	1.3
243.21124	5.3
261.22150	16.7
291.23029	0.7
299.23508	0.6
317.24765	3.0
335.25806	63.3
336.26154	2.0
379.29974	0.7
397.31003	1.6
415.32172	1.5
471.34537	1.6
489.35770	37.6
490.36121	1.3
507.36795	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	688.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08930	0.6
55.01873	2.6
57.03444	0.9
61.02917	1.9
69.03445	3.9
69.07016	0.8
70.06582	3.0
71.04998	1.0
71.52413	0.9
76.22107	0.6
79.05465	0.7
81.03414	2.1
84.04519	0.8
84.08122	0.9
85.02911	11.2
86.09708	1.2
91.03954	1.7
91.05495	0.8
95.04979	1.6
97.02898	4.9
105.03353	0.8
107.04958	16.9
109.02883	2.6
115.05454	4.5
117.07024	7.3
119.04930	1.5
121.02885	3.4
123.04432	1.3
127.03913	2.8
128.06227	0.7
131.04909	1.6
133.02864	0.9
133.06465	1.1
143.04924	3.1
144.05707	1.5
145.04947	3.3
145.06496	6.6
147.04395	1.7
151.03949	1.5
152.06285	0.8
153.07047	0.8
161.05998	2.9
163.03900	2.5
165.06989	1.9
166.07780	1.4
167.08577	4.9
171.04398	3.5
175.03888	1.2
177.06937	0.8
178.07736	1.6
179.08504	1.5
181.05017	1.4
181.06493	7.9
181.10124	6.7
182.07266	2.0
183.08060	28.5
183.09695	1.4
185.04449	2.5
185.09619	19.0
189.05490	8.8
191.08554	10.3
193.10144	2.1
194.07253	7.6
195.08061	11.3
196.08714	0.9
197.06006	1.1
197.09628	17.7
199.07622	1.3
203.08562	2.5
207.06424	0.9
207.08096	1.3
209.06058	14.7
209.09621	35.9
211.07642	3.3
211.11180	5.0
213.09117	43.8
214.09430	0.9
219.08029	12.0
221.09610	6.2
223.07542	20.2
224.08125	0.7
225.09122	64.2
226.09439	1.0
227.07077	1.4
229.07643	1.6
235.06056	0.8
237.09120	67.4
238.09521	1.1
239.10677	30.2
241.08615	21.1
241.12363	1.9
242.09082	0.8
243.10266	1.0
247.07597	2.0
251.07108	2.1
255.10175	82.6
256.10541	1.4
265.08612	22.3
269.08084	20.6
279.06567	1.0
283.09671	66.0
285.11304	2.2
291.28790	0.7
293.07950	1.3
297.07574	0.9
301.10724	45.9
303.05124	1.3
303.12360	2.3
311.09152	52.5
325.07129	0.8
329.10217	100.0
330.10385	1.5
347.11285	23.4
377.01831	1.9
387.39719	0.7
399.31903	0.7
403.04956	1.5
483.22989	0.7
485.85623	0.7
571.94757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.6
57.03436	10.9
57.07066	2.7
59.05005	4.3
61.02922	2.9
65.03938	1.7
67.05508	76.9
69.07067	11.1
69.23278	11.2
71.05012	1.6
71.08634	2.1
73.02905	1.8
79.05494	7.9
81.07061	30.3
83.08627	10.3
85.02900	3.9
85.06550	3.1
86.09715	3.0
89.06045	1.9
91.05479	8.7
91.45244	1.2
93.07045	11.9
95.04971	1.3
95.08610	24.5
95.10256	1.1
97.02901	1.2
97.06539	2.7
97.09624	1.0
97.10182	4.5
105.07037	4.2
107.08601	4.7
109.06558	1.1
109.10161	62.5
111.08070	3.3
119.08575	7.0
121.10156	4.2
123.11729	4.9
125.00008	2.8
127.11176	1.2
133.08582	2.1
133.10138	3.7
135.11670	3.0
137.09636	3.1
137.13203	1.1
137.90106	1.2
147.11700	2.3
149.13261	1.4
155.10655	5.4
163.14824	1.3
173.11749	16.7
177.11220	1.3
184.07365	11.6
227.12767	1.9
229.14363	100.0
245.22710	3.0
263.23734	3.4
337.27380	62.0
347.44180	1.3
402.90826	1.2
491.37314	48.6
492.38004	1.6
509.38443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38383	0.6
53.03938	1.7
55.01875	2.4
55.05517	7.4
57.03446	6.1
57.07071	0.7
61.02912	1.3
65.03926	1.4
67.05511	14.8
69.03424	2.9
69.07071	5.6
69.68917	0.6
71.05003	3.3
73.02906	1.3
79.05498	19.5
80.05830	0.7
81.03423	18.3
81.06586	1.1
81.07059	20.6
83.04985	7.5
83.08150	0.9
83.08620	11.0
85.02910	8.0
85.06537	1.5
91.05484	14.0
93.07051	23.2
93.07639	1.3
95.04973	14.9
95.08612	21.7
97.02905	3.8
97.06521	3.3
97.10160	1.9
98.44624	0.6
99.04460	2.4
99.83290	0.6
103.05511	0.8
105.07031	11.7
107.04969	6.3
107.08604	19.1
109.06525	4.4
109.10148	4.5
111.04441	2.7
111.08082	4.5
113.05992	0.8
117.07032	5.7
119.08578	11.1
121.06508	4.2
121.10147	10.3
123.08057	1.1
123.11769	1.1
125.06029	1.7
125.09656	1.2
129.07031	4.4
131.08580	4.5
133.06467	1.7
133.10147	6.0
135.08084	3.2
135.11694	31.4
137.09613	0.7
139.07552	1.2
142.07858	0.8
143.08578	0.6
145.10130	16.9
147.08060	1.3
147.11685	6.4
149.09628	3.1
151.11215	2.1
157.10129	5.3
163.11185	39.5
165.12788	2.4
173.09599	1.2
175.11192	5.1
181.12253	7.4
184.07365	0.7
193.12251	16.3
193.13878	1.2
209.11812	1.0
211.13307	14.1
227.12794	43.3
228.13216	0.8
255.15897	1.0
267.15936	20.2
269.17459	1.2
283.15405	39.8
285.16974	35.2
286.17563	0.6
447.27423	1.4
461.29172	1.4
475.26981	24.8
485.98581	0.7
493.27988	100.0
494.28271	2.2
631.84180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	1.5
55.05510	4.5
56.05026	1.0
57.03426	1.7
57.07063	2.6
59.56751	0.7
65.03956	1.6
67.05176	1.2
67.05508	14.5
68.05825	0.8
69.03430	5.0
69.07065	3.4
70.06591	2.1
71.01363	0.7
71.04993	1.9
71.53107	1.3
71.53497	0.9
73.02886	0.7
79.05495	13.1
79.34472	0.6
81.03418	10.6
81.07058	13.8
82.07408	1.2
83.04981	1.7
83.08615	2.1
84.04483	0.9
84.08147	17.7
85.02915	4.5
86.09672	1.0
91.05485	8.3
93.07043	14.6
94.07420	0.8
95.04958	2.3
95.08612	10.7
97.02906	4.2
97.06554	0.8
97.10165	1.4
99.04451	1.1
105.07034	7.0
107.04975	0.9
107.08595	6.3
109.02877	2.8
109.06514	2.6
109.10160	5.2
111.04446	1.5
111.08071	0.8
113.02365	1.2
117.07025	3.1
119.08601	4.4
121.06539	1.7
121.10144	5.6
122.10421	1.0
123.04452	1.0
123.08147	0.8
123.11676	0.9
125.00028	0.9
125.09631	1.4
126.09154	7.1
127.03943	1.4
127.11202	0.8
129.07048	1.0
131.08569	3.7
133.10129	3.5
135.08073	1.2
135.11673	3.7
137.09668	0.8
139.03929	1.4
143.08609	1.5
145.06483	1.8
145.10152	2.5
147.11713	1.7
149.09653	0.9
149.13213	1.0
151.03912	1.0
155.03391	12.0
159.11729	1.9
161.06026	1.1
161.13330	1.7
162.09090	0.8
163.03922	1.3
163.07529	3.2
163.11166	1.1
167.03433	1.7
169.01292	0.8
169.04984	3.0
171.11642	0.8
173.06018	3.0
173.13171	0.7
177.09227	0.8
179.03371	5.7
181.04997	2.7
183.11754	0.8
184.07352	3.0
187.02397	1.2
187.07520	1.1
191.07025	8.6
197.04457	34.2
201.13158	0.7
201.14816	3.4
203.89682	0.8
205.04961	0.9
205.08569	1.3
206.85617	0.7
208.09647	1.1
209.04478	1.7
209.08084	9.5
215.07076	1.0
226.10736	10.6
227.12837	1.6
231.06737	0.7
232.09787	0.7
233.08086	4.7
250.10777	1.3
251.09155	27.8
268.11810	31.3
269.17661	1.1
275.20227	1.2
320.15018	0.8
321.69791	0.7
349.23950	1.0
355.19531	0.7
363.48987	0.8
381.30179	0.8
395.28079	0.7
412.19913	0.7
435.60992	0.7
475.34384	1.4
528.37537	3.5
635.73193	0.7
672.41895	1.2
673.35394	0.9
690.38428	100.0
691.39050	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	690.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05038	0.6
56.96529	0.1
57.07056	0.1
57.45582	0.1
58.06360	0.2
58.06631	0.5
59.07397	0.3
59.29301	0.1
60.08168	5.7
67.05499	0.4
69.15156	0.3
69.15564	1.2
71.07378	3.3
79.05463	0.2
81.07050	0.6
83.08642	0.2
86.09710	30.2
93.07066	0.2
95.08600	0.2
98.21523	0.3
98.98471	2.5
99.64581	0.1
101.26577	0.2
104.10757	2.5
109.10136	0.1
119.08534	0.2
125.00012	19.1
125.13524	0.1
133.10089	0.2
163.11147	0.2
184.07350	100.0
185.07745	0.5
451.64310	0.1
463.30673	0.1
496.33408	0.2
519.37299	0.3
580.40308	0.2
629.83783	0.2
690.47113	10.7
691.47205	0.4
695.11316	0.2
722.41943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	14.1
57.03452	9.2
57.07083	6.3
59.04991	3.2
61.02917	3.7
65.03947	1.3
67.05512	65.2
69.07076	18.1
69.31102	7.8
69.31516	2.2
71.04993	2.7
71.08636	2.5
79.05511	6.5
81.03448	1.2
81.07063	22.1
83.08157	1.3
83.08631	15.8
85.02892	2.6
85.06526	2.1
86.09709	6.2
91.05503	6.7
93.07064	9.5
95.04989	1.5
95.08610	16.7
97.02901	2.4
97.06543	1.6
97.10181	6.7
105.07032	1.3
107.08611	5.6
109.10167	67.4
110.36694	1.1
111.08030	3.5
111.11726	2.0
119.08577	4.9
121.10166	6.4
123.11700	1.5
125.00014	1.8
135.11752	3.0
137.09637	2.2
145.10146	2.0
149.13203	1.5
155.10635	4.5
172.67514	1.0
173.11766	15.7
184.07372	13.4
210.77286	1.1
229.14378	100.0
246.75755	1.1
265.25192	2.1
301.14481	1.1
324.86105	1.1
339.28964	75.6
408.75317	1.5
443.35818	1.2
453.71817	1.3
468.81183	1.2
470.02975	1.1
493.38956	65.0
507.92783	1.2
519.36823	2.5
575.50446	2.7
690.42438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79872	3.1
94.92954	2.1
112.89575	0.7
114.42691	0.6
124.79724	0.9
201.01598	0.9
204.87073	1.6
206.98230	0.8
235.89349	0.8
273.56009	0.6
303.11044	1.1
304.95868	1.0
367.05826	10.2
513.99353	0.7
529.11121	100.0
530.11359	1.3
646.89258	0.7
657.17828	0.7
691.16364	49.8
692.17041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.90062	0.2
55.01865	0.4
57.03422	0.7
61.02930	1.1
65.03937	0.3
67.01872	1.1
68.99789	0.8
69.03432	3.1
70.06562	0.4
70.67203	0.5
70.67577	0.3
71.05003	0.2
73.02917	0.4
80.04956	0.2
81.03420	1.2
83.01326	0.2
85.02910	8.0
87.04469	0.4
90.83741	0.2
91.03951	0.4
97.02900	3.2
99.04453	0.5
109.02902	1.6
111.04421	0.2
113.02399	0.3
121.02842	0.7
123.04419	0.4
125.02352	0.6
127.03910	1.6
136.01590	0.4
137.02353	4.5
139.03908	1.3
141.01840	0.7
142.02631	0.3
143.03395	2.2
145.04961	1.2
149.02321	2.6
151.03902	0.5
153.01855	0.2
155.03401	9.5
157.61758	0.2
162.86971	0.2
163.03944	0.4
165.01842	5.6
166.02571	0.6
167.03407	12.4
169.01340	2.1
169.04965	0.9
175.03864	0.2
179.03436	1.6
183.02901	21.6
184.03696	4.2
185.04463	70.7
186.04811	0.6
195.02885	1.2
197.02618	0.3
197.04459	4.7
203.03430	0.3
207.02919	0.2
209.04457	0.4
215.03389	0.3
219.02956	1.1
221.04428	0.7
223.02335	1.6
233.04427	0.4
237.03922	0.6
239.82663	0.2
243.02910	0.8
247.02390	2.2
257.04480	0.7
261.03961	1.9
263.05704	0.2
265.03424	0.7
271.02444	1.1
275.05658	0.2
279.05090	0.6
283.04443	0.3
285.04019	0.6
287.05524	0.4
289.03455	3.7
295.02481	0.6
296.90726	0.2
303.05069	2.2
307.04465	4.1
313.03381	1.3
321.06027	0.3
325.05542	6.6
331.04498	6.1
349.05527	2.0
361.02414	0.3
367.06616	100.0
368.06909	1.3
529.11841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01866	0.4
55.05503	2.0
57.03434	1.8
59.05014	0.6
61.02929	4.8
62.32994	0.3
64.45370	0.3
65.03944	0.4
67.05508	9.1
69.03430	2.9
69.07083	1.2
69.16521	3.7
71.01338	0.4
71.04971	0.7
72.55342	0.3
73.02927	2.9
79.05496	2.3
81.03413	1.9
81.07050	4.3
83.05002	0.4
83.08635	1.5
85.02905	5.4
85.06541	0.5
86.62336	0.3
87.04488	0.5
91.03948	3.5
91.05496	2.0
93.07031	2.9
95.08619	3.4
97.02890	3.9
98.21617	0.6
98.98495	0.5
99.04446	0.9
101.02392	2.0
101.87674	0.3
105.07042	0.8
107.08629	1.4
109.02894	0.7
109.06549	0.3
109.10165	7.7
115.03947	0.4
117.07067	0.6
119.08587	1.8
121.10162	1.4
123.11723	0.3
127.03898	1.7
131.08607	0.7
133.10155	0.8
135.11697	0.8
137.09615	0.5
145.10138	1.2
155.10660	0.6
173.11790	1.7
185.04269	0.6
191.10641	0.5
195.09975	1.0
209.11652	0.5
229.14430	1.6
243.08447	2.1
335.25858	0.7
413.17844	10.2
436.23682	0.4
501.35916	0.4
519.29413	3.8
519.37054	2.2
550.41498	0.4
578.00000	0.4
691.40259	100.0
692.40759	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79415	0.3
52.03187	0.3
53.03942	0.5
55.01876	0.4
55.05499	1.7
55.15232	0.3
57.03442	1.9
58.02314	0.3
61.02926	4.8
61.44783	0.3
65.03921	0.3
67.05179	0.4
67.05508	6.9
69.03425	2.9
69.07060	1.6
69.16415	1.9
69.16838	0.8
71.01369	0.4
71.04999	0.6
73.02920	3.8
79.05495	3.1
81.03418	2.0
81.07047	4.7
81.54916	0.3
83.04972	0.4
83.08607	1.4
85.02911	4.7
87.04468	0.3
91.03949	3.5
91.05480	2.2
93.07034	2.9
95.08600	4.1
97.02892	3.8
97.03463	0.5
97.06554	0.3
97.10193	0.5
98.20722	0.6
99.04459	0.9
101.02361	1.7
103.03970	0.5
105.07046	1.0
107.04960	0.5
107.08583	2.1
109.02888	0.7
109.10151	4.8
111.04460	0.5
117.07076	0.4
119.08575	1.0
121.10142	1.6
123.11794	0.5
127.03909	1.5
131.08598	1.0
133.10120	0.7
135.11691	1.6
143.88322	0.3
145.10135	0.7
147.11694	0.7
155.10728	0.4
159.11670	0.5
160.24510	0.3
163.22493	0.3
173.11772	1.2
173.13145	0.4
184.07512	0.3
185.04253	0.8
186.42247	0.3
195.09926	0.8
203.05339	0.6
209.11697	0.5
223.38330	0.3
227.12810	0.3
229.14424	0.8
243.08426	1.4
283.15298	0.5
335.25949	0.7
413.17813	5.0
519.29370	7.0
519.36969	2.5
594.42218	0.3
691.40259	100.0
692.40521	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03942	13.0
55.01870	5.9
55.05513	33.4
57.03442	11.9
57.07062	4.2
63.24335	1.5
65.03930	5.0
65.71020	1.4
67.05509	95.5
69.03435	28.7
69.06744	1.8
69.07077	23.8
70.96696	3.4
71.01350	2.1
71.05003	11.7
71.08636	1.6
73.02896	2.6
74.09709	1.6
77.03949	2.0
79.05498	55.0
80.33430	1.4
81.03423	55.7
81.07059	100.0
83.04986	24.5
83.08624	16.0
85.02924	9.6
85.06537	6.1
86.09698	2.2
87.04495	2.4
91.05488	47.3
93.07047	68.3
95.04967	11.9
95.08608	43.6
96.08910	1.8
97.02900	17.9
97.06513	9.6
97.10168	6.6
99.04456	7.4
99.08088	4.2
103.03996	1.9
105.04512	2.8
105.07037	36.5
107.04955	4.3
107.08605	31.1
109.02881	13.0
109.06525	3.8
109.10162	16.2
111.04462	9.4
111.08082	5.0
113.05995	2.3
117.07018	17.0
119.08592	23.2
121.06500	4.7
121.10143	24.8
121.11016	1.9
123.04472	2.7
123.08074	4.4
123.11707	12.6
125.09658	1.8
125.62912	1.5
127.03923	13.1
128.06230	2.3
129.05493	9.5
129.06981	8.4
130.07800	1.6
131.04913	1.8
131.08577	21.2
133.06505	2.8
133.10136	21.1
135.08049	5.0
135.11691	15.8
137.06042	2.5
137.09608	2.3
138.52954	1.5
139.11194	3.1
139.92560	1.5
141.07011	3.1
143.08545	7.4
145.06467	3.0
145.10141	9.4
147.08003	3.6
147.11703	13.3
149.09657	3.3
149.13266	18.6
151.11166	2.6
155.08553	2.9
157.10164	7.8
159.08086	1.7
159.11702	20.6
161.13242	5.5
163.11235	1.6
165.12791	5.0
167.07027	1.4
167.08614	2.1
169.10124	3.2
171.06525	1.9
171.11696	4.1
173.04469	19.8
173.09552	1.7
173.13307	5.2
175.11226	5.0
175.14790	3.0
177.12796	12.2
177.16351	1.7
183.11693	4.7
184.07307	4.4
185.13264	3.3
187.13324	3.5
187.14796	2.4
193.12315	2.2
195.12073	2.5
195.13838	11.0
197.13269	3.0
209.11728	5.7
211.13255	2.1
211.15027	2.2
213.14830	3.8
233.15408	1.9
243.15924	4.1
243.21300	1.7
249.14848	1.9
261.22119	7.2
267.15878	4.2
269.17459	17.7
277.21674	2.1
311.25781	1.8
313.91498	1.6
321.16953	2.8
335.25864	23.2
335.29520	2.7
339.18045	6.8
351.23297	4.4
369.24203	6.4
387.25412	3.6
405.26114	2.8
413.21790	9.9
426.27924	1.6
443.27847	2.6
461.28986	3.5
479.29837	2.7
503.37424	23.7
503.44281	3.2
519.29803	2.1
519.36713	12.7
529.38940	21.8
547.39532	3.5
637.40027	3.7
655.41943	3.7
673.43298	16.5
691.43713	37.7
692.44238	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	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.5
55.01876	3.9
55.05514	36.0
57.03441	19.0
57.07072	6.2
65.03928	5.4
67.05512	90.8
69.03436	17.4
69.07071	30.9
70.16227	6.6
71.01343	2.7
71.04993	8.0
73.15295	1.7
79.05502	60.6
80.05780	1.8
81.03425	35.5
81.07066	100.0
83.04989	22.8
83.08630	21.4
85.02901	5.8
85.06550	4.4
91.05489	43.2
92.38126	2.2
93.07050	80.3
95.04967	11.4
95.08611	50.3
97.02898	18.1
97.06542	11.1
97.10182	9.4
98.98470	6.6
99.04456	3.6
99.08102	2.5
103.03984	2.0
103.05468	2.5
105.04546	2.7
105.07030	26.6
107.04959	3.4
107.08603	43.2
109.02894	7.1
109.06519	7.7
109.10165	19.9
111.04435	9.6
111.08067	7.8
111.11723	3.3
117.07037	17.9
119.08587	19.0
121.06493	5.5
121.10151	29.2
123.04421	2.2
123.08064	2.9
123.11720	7.9
125.00032	2.5
125.09648	2.8
127.03921	9.3
129.05457	7.6
129.07018	6.0
131.08568	18.0
133.06526	2.9
133.10155	15.7
135.04387	2.2
135.08063	3.5
135.11693	23.9
137.09601	2.6
141.07063	2.3
143.08537	4.7
145.06522	2.4
145.10138	12.9
147.11685	11.1
149.09622	2.4
149.13289	21.0
155.08586	2.5
157.10170	3.5
159.08052	2.6
159.11752	17.4
161.13252	6.4
163.11171	8.4
169.10144	2.4
171.11646	3.7
173.09619	2.8
173.13257	4.7
177.12669	6.6
184.07332	3.7
185.13254	2.7
185.28802	2.1
187.14786	3.2
195.13808	9.1
197.13243	3.1
209.11644	2.4
227.12790	8.2
253.17792	2.5
261.22098	7.4
267.15900	4.6
269.17526	25.5
283.15381	6.6
297.16702	2.5
311.25800	6.7
335.25836	61.2
337.27286	2.3
339.18005	6.6
351.23013	3.1
369.24197	5.5
387.25528	2.9
395.20374	2.5
405.26144	2.8
413.21924	13.5
447.67255	2.2
455.35162	2.1
461.29053	2.3
479.29907	3.3
519.36884	30.8
529.38965	79.0
530.39355	3.7
655.41498	4.5
673.43384	12.1
691.42932	8.2
706.41119	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
53.75483	2.7
55.01881	7.2
55.05519	37.4
57.03444	18.2
57.07074	7.5
59.04988	3.5
65.03947	4.4
67.05513	88.1
69.03447	21.1
69.07077	39.0
69.92410	16.3
71.05004	5.6
71.08620	7.4
76.08551	3.1
79.05501	52.0
81.03429	27.2
81.06595	4.9
81.07065	89.5
83.04989	13.5
83.08625	24.2
85.02908	7.2
85.06541	3.6
91.05489	53.2
93.07055	70.7
95.04964	13.9
95.08622	54.1
97.02918	10.4
97.06528	13.3
97.10162	13.7
98.21479	3.8
98.98485	15.8
99.04475	3.8
105.06393	4.5
105.07038	34.6
107.04980	8.7
107.08611	33.7
107.68877	3.4
109.02882	6.6
109.06549	8.2
109.10187	21.4
111.04435	7.8
111.08043	7.1
117.07018	20.7
119.08582	22.1
121.06511	9.3
121.10156	29.9
123.08074	5.1
123.11724	7.6
125.09671	3.3
128.06247	4.4
129.07013	10.3
130.07768	3.9
131.08588	19.9
133.10138	20.3
135.08072	7.5
135.11719	30.1
137.01405	3.6
137.09583	6.7
138.52258	3.1
141.07063	3.7
143.08553	9.4
145.06441	3.5
145.10141	26.4
147.08083	4.0
147.11662	15.1
149.09586	3.4
149.13272	11.6
155.01006	5.6
155.08519	4.7
157.10182	8.0
159.11757	15.6
161.13271	8.4
163.11197	19.8
165.06886	4.0
165.12813	5.1
169.10211	3.9
171.11746	5.4
173.09653	6.0
173.13278	5.5
175.11227	5.0
177.12718	4.9
181.10155	4.6
183.11708	5.7
184.07347	5.4
185.13297	5.6
191.10611	7.3
195.13815	13.0
209.11624	5.3
227.12790	19.3
232.35020	3.2
237.22137	4.0
259.20795	3.4
261.22235	3.6
269.17465	29.6
283.15405	22.7
291.19684	3.3
301.21732	3.8
311.25967	15.8
331.22897	3.5
335.25760	6.5
369.24298	11.3
387.25256	4.6
443.28238	3.8
461.29016	4.9
519.36877	100.0
529.39038	16.7
558.20569	3.5
571.39850	4.6
631.31006	4.8
637.40881	5.6
655.42841	6.2
673.43219	21.8
691.44171	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	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.01860	7.9
55.05272	3.0
55.05516	32.6
57.03437	16.5
57.07056	5.7
61.02898	2.3
65.03939	4.9
67.05509	82.2
69.03438	22.7
69.07080	28.5
70.08743	6.8
71.01360	2.1
71.04985	7.7
71.08611	3.0
73.02877	2.3
78.74297	1.7
79.05498	61.5
81.02943	1.7
81.03421	38.7
81.07061	100.0
83.04990	25.7
83.08623	20.6
85.02922	10.6
85.06519	6.1
85.08353	2.0
91.05484	40.8
92.05824	1.7
93.07049	70.0
95.04989	13.7
95.08611	50.4
97.02904	13.0
97.06517	10.3
97.10168	7.9
98.98460	2.5
99.04462	4.6
99.08066	3.0
105.04512	2.6
105.07038	29.6
107.04957	6.7
107.07889	2.5
107.08599	40.4
109.02852	6.3
109.06503	6.2
109.10160	17.6
110.06025	1.8
111.04440	10.7
111.08066	6.7
115.16644	1.8
117.07034	16.5
119.08598	25.0
121.06509	4.0
121.10151	27.6
123.04424	3.2
123.08102	5.7
123.11745	8.8
127.03893	7.2
129.05539	8.4
129.06990	6.6
131.08580	20.7
133.06546	2.3
133.10135	19.2
135.08049	5.5
135.11710	19.0
137.09642	2.5
143.08588	5.9
145.06525	3.2
145.10172	13.9
147.08116	2.7
147.11674	13.1
149.09644	4.0
149.13243	21.8
155.08545	3.7
157.10135	4.2
159.08009	2.1
159.11703	15.7
161.13252	5.8
163.11176	2.5
165.12769	3.1
169.10167	3.6
171.11687	4.3
173.04503	6.5
173.09650	3.7
173.13246	6.4
175.14859	2.3
177.12752	7.4
183.11743	3.0
184.07361	3.3
185.13232	2.3
187.14877	3.7
191.10687	2.4
195.11873	2.3
195.13780	12.0
201.16385	2.8
209.11734	12.3
209.13472	2.5
213.14742	2.8
215.14246	2.0
223.14514	2.4
227.12721	2.8
259.20636	2.5
261.22147	8.3
267.15906	3.7
269.17480	26.6
275.16327	2.8
283.15378	3.1
301.21631	3.3
311.25772	3.0
335.25824	38.6
339.17926	4.9
356.46243	1.9
369.24176	5.0
387.25299	2.9
399.32767	1.8
403.87726	1.9
413.21890	13.9
443.27777	2.7
501.35483	2.8
503.36929	6.2
519.29681	2.9
519.36926	27.0
529.38892	52.2
530.38995	1.9
547.39893	2.9
637.40558	3.1
655.41760	2.9
673.43250	16.0
691.41162	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.3
57.03384	1.3
58.06562	0.5
68.99794	1.0
69.03406	0.4
69.51608	1.4
70.06594	3.1
71.04996	7.0
72.73106	0.2
75.04460	0.2
82.06540	0.3
83.04927	0.5
84.08086	0.3
85.02911	8.1
85.03382	0.3
90.17993	0.2
91.05431	0.2
94.06525	0.4
96.08056	0.6
97.08862	0.4
98.09629	0.9
98.21547	0.4
99.04399	0.2
111.00793	1.0
111.04375	0.3
120.08135	0.3
123.04452	1.7
127.03857	0.4
129.05482	1.0
129.06970	0.4
131.04892	0.3
133.70593	0.2
135.04411	1.2
137.02316	0.4
139.03906	5.4
141.06897	0.5
143.04712	0.2
147.04341	0.6
148.07513	0.2
149.08324	0.4
151.03845	0.7
153.06917	0.5
155.04874	0.4
155.08572	0.2
157.06415	0.4
161.06007	1.1
162.09177	0.2
163.03940	3.5
165.05382	0.6
165.06793	0.2
169.06436	0.7
171.08028	0.3
173.06010	2.7
175.07503	1.9
176.04640	0.2
179.03346	0.3
181.06444	1.0
183.04381	0.6
185.06137	0.3
187.07501	0.9
189.05409	0.6
191.08885	0.2
195.07965	0.3
197.05994	2.1
199.07542	1.2
200.10748	0.3
201.05429	1.2
201.09128	0.3
202.08560	0.2
203.07066	2.0
205.10954	0.6
206.11775	0.4
209.05994	0.2
211.07494	0.6
213.09024	0.5
215.07040	2.6
216.10159	0.6
217.04929	0.2
217.10916	0.6
218.11783	3.5
219.12550	0.2
221.09772	0.3
223.07613	0.5
225.05336	0.3
225.09056	0.6
227.06964	0.6
228.10130	0.9
229.08519	0.6
230.11725	0.7
231.06552	0.4
231.08842	0.3
232.09691	1.0
234.11221	0.6
235.07497	0.5
240.10124	0.4
241.04881	0.4
241.08588	0.7
241.10994	0.3
242.11798	0.4
243.06627	1.6
243.08757	0.3
244.09541	0.3
245.10013	0.6
246.11250	0.6
251.07072	0.6
253.08556	0.5
257.08063	0.5
257.10468	0.3
258.11282	3.8
259.12024	3.5
263.07016	1.5
263.10739	0.5
265.08762	0.3
269.08069	5.6
271.05936	0.5
272.06729	0.3
272.12793	1.1
273.09088	0.6
279.06552	0.4
281.08057	1.0
282.11301	0.4
283.09711	0.2
285.07526	0.5
287.05551	1.6
291.06641	0.3
291.10056	0.6
296.12955	0.3
297.07486	0.4
299.09036	0.4
300.12244	1.0
305.08206	0.3
309.07535	1.1
309.11139	1.0
311.09116	0.8
323.09134	0.8
324.12219	0.4
327.08627	6.4
335.09149	0.5
340.15494	2.6
341.10208	2.8
342.13348	3.9
348.12347	1.7
353.10089	2.4
365.12680	0.3
366.13388	16.0
367.13620	0.3
369.12460	0.3
380.15173	0.3
384.14426	100.0
385.14865	2.1
408.14377	0.7
426.15729	1.3
450.15546	0.3
510.17773	0.6
512.19348	1.0
528.18671	3.6
530.20313	2.4
546.19745	6.8
546.28027	0.5
656.22943	0.2
674.24438	0.8
692.25537	6.8
693.25842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18443	1.2
53.03940	5.0
55.05273	1.4
55.05515	18.6
57.03443	11.4
58.43821	1.3
59.04999	2.6
61.02924	5.4
67.05508	58.1
69.07072	15.6
71.01360	3.5
71.04996	8.8
71.16946	1.6
71.17263	1.9
71.39026	1.3
73.02938	1.9
79.05498	51.8
81.03423	45.3
81.07062	68.6
83.01337	2.5
83.04990	19.0
83.08630	22.6
85.02906	13.6
85.06529	6.0
91.03944	3.0
91.05484	29.6
93.07048	55.1
95.04969	14.3
95.08609	23.5
97.02898	11.0
97.06521	15.0
97.10165	8.5
99.04448	4.3
99.08076	3.3
105.07034	18.4
107.04308	1.9
107.04961	18.1
107.08602	35.3
109.02885	5.2
109.06528	6.5
109.10155	15.2
111.04443	8.4
111.08088	7.5
113.06036	1.5
117.07021	16.5
119.08585	18.0
121.06503	5.7
121.10137	21.0
123.08076	7.9
123.11755	6.7
125.06004	2.6
125.09620	7.5
127.03928	3.3
129.05484	2.5
129.07007	6.2
131.05019	1.6
131.08582	18.6
133.06488	3.6
133.10155	13.6
135.08058	5.4
135.11690	24.4
137.09610	3.6
139.11220	1.8
143.08528	2.2
145.06525	3.2
145.10130	21.8
147.08020	4.2
147.11691	10.4
149.09627	3.7
149.13272	14.5
151.11192	3.8
153.09137	1.9
153.12762	10.9
155.08572	5.5
157.10214	3.3
159.08000	1.8
159.11700	9.2
161.09663	3.6
163.11195	31.6
165.12749	4.1
169.10179	1.6
173.04411	1.9
173.09633	9.0
173.11740	1.8
173.13080	1.7
175.11299	1.9
177.12747	5.2
181.12256	5.8
183.11711	1.8
189.11212	1.9
191.10616	9.7
193.12267	3.6
195.13789	13.5
209.11714	18.4
211.13298	1.4
227.12808	10.8
229.14383	3.1
233.15424	2.0
251.16524	1.9
255.15913	2.3
265.14279	10.2
267.15909	24.4
269.17499	29.0
283.15408	25.6
285.17023	8.0
301.16495	18.7
321.16724	2.1
339.18173	2.3
367.22662	2.4
370.48938	1.6
379.15930	1.5
385.23557	3.0
403.24710	2.3
409.18307	1.5
413.21628	8.8
423.27493	1.5
431.28253	1.6
437.28952	2.1
441.26147	2.3
445.20535	1.9
449.28976	4.5
459.27432	31.7
463.30194	2.4
477.28516	98.3
478.28510	2.7
495.29492	100.0
567.29010	2.0
585.30457	3.8
603.31494	7.7
621.32678	49.6
639.33832	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.05519	34.2
57.03158	1.3
57.03436	22.0
57.07075	2.5
58.99701	0.8
59.04995	4.3
61.02936	8.8
65.03942	4.2
67.05514	100.0
69.03445	4.5
69.07079	19.1
69.84524	4.6
71.01361	2.4
71.05006	6.9
73.02930	6.0
77.03921	1.3
79.05502	42.7
81.03429	14.7
81.07067	76.8
83.04994	10.2
83.08154	1.4
83.08630	22.7
85.02437	1.5
85.02917	17.9
85.06538	4.0
87.04477	5.5
91.03960	3.1
91.04919	1.1
91.05495	29.5
93.07056	43.2
95.04987	7.7
95.08617	24.0
97.02900	7.7
97.06538	11.2
97.10172	15.5
99.04503	1.5
99.08125	1.9
100.45267	1.0
103.03952	1.6
105.04516	1.1
105.07049	13.8
106.65121	0.9
107.04973	5.0
107.08614	28.4
109.06527	2.8
109.10168	52.2
111.04461	1.5
111.08103	7.6
117.07039	10.2
119.08584	10.4
121.06509	3.6
121.10159	12.5
123.08073	4.1
123.11689	4.8
125.09651	15.2
127.03909	1.6
129.05489	6.5
129.06982	2.7
131.08580	9.5
133.10147	15.1
135.08028	3.5
135.11707	10.6
137.09608	1.8
137.69423	0.9
139.11218	1.1
143.07010	1.7
143.10718	1.8
145.10158	5.9
147.08066	1.4
147.11676	5.1
149.09615	1.5
149.13278	13.8
151.11183	2.2
153.12756	2.8
155.10687	6.5
157.10141	2.1
159.10425	1.4
159.11696	8.3
163.11197	8.7
165.12701	3.2
173.09569	2.3
173.11758	14.7
175.11218	1.1
177.12737	5.9
181.12251	2.0
185.11736	1.4
189.11145	1.4
191.10658	3.5
193.12242	5.8
195.13843	14.4
199.13319	8.3
209.11743	10.4
211.13351	5.4
213.14981	1.7
227.12823	8.9
229.14388	57.5
239.16362	4.2
240.16997	1.0
257.13858	2.8
261.19724	1.0
267.15979	9.3
269.17514	69.5
283.15402	6.1
285.16788	1.5
295.19022	1.2
297.17038	2.3
301.16519	21.2
323.18597	2.0
393.26251	2.3
411.27347	6.4
422.26224	1.5
423.27451	42.5
431.27893	3.7
437.29129	1.4
449.28833	1.7
477.28473	4.5
495.29526	75.2
496.29987	2.0
513.30658	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01873	8.6
55.05511	33.3
57.03426	19.1
57.07075	2.2
59.04995	3.7
61.02920	8.6
65.03938	2.9
67.05505	100.0
69.03437	4.8
69.07069	20.2
69.60308	0.7
71.01337	1.8
71.04987	4.8
73.02918	5.4
79.05495	40.7
81.02988	1.2
81.03424	16.3
81.07056	73.4
83.01335	1.1
83.04978	10.3
83.08617	22.7
85.02902	20.2
85.06551	5.7
87.04479	4.6
91.03950	3.6
91.04907	1.3
91.05481	28.1
93.07044	42.9
95.04970	8.0
95.08606	20.7
97.02915	6.1
97.06542	9.9
97.10172	16.0
98.20803	2.0
99.04430	2.6
99.08089	3.1
103.03913	1.6
105.04501	1.1
105.07025	11.9
107.04950	3.4
107.08593	30.1
109.06519	2.8
109.10159	55.6
111.04457	2.1
111.08074	6.7
111.11721	0.9
117.07011	11.0
119.08592	8.0
121.06483	3.2
121.10139	10.9
123.08094	2.0
123.11701	4.8
125.05997	1.1
125.09631	16.1
126.67403	0.8
127.03936	1.7
129.05482	6.4
129.06989	2.4
131.08574	9.4
133.10124	13.0
135.08057	3.2
135.11694	11.1
137.09642	4.6
139.11171	0.8
143.07008	1.5
143.08492	0.8
143.10670	2.7
145.10104	4.9
147.08015	1.9
147.11700	5.0
149.09599	1.8
149.13268	13.7
151.11182	2.3
153.12755	3.7
155.10689	6.8
157.08728	0.7
157.10104	1.2
159.11671	7.7
163.11194	9.2
165.12743	3.4
173.09558	1.8
173.11745	13.0
175.11214	1.6
177.12766	5.5
181.12198	2.8
185.11681	1.1
189.11096	0.9
191.10683	4.1
193.12239	6.6
195.13795	16.6
199.13313	7.7
209.11734	8.2
211.13289	4.3
213.14857	2.7
217.14360	1.0
227.12788	11.4
229.14345	56.4
239.16449	4.9
249.14679	0.9
257.13870	2.4
265.14359	1.1
267.15921	11.4
269.17471	67.4
283.15472	7.7
285.17059	1.7
301.16467	23.5
313.16437	1.7
323.18478	1.9
357.24194	2.5
393.26218	3.6
411.27316	6.8
422.26736	0.9
423.27420	39.2
431.27911	2.5
437.29269	1.0
449.29004	2.3
459.27081	1.7
477.28760	4.3
495.29498	80.3
513.30603	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
52.73998	0.4
53.03942	1.3
55.01883	0.9
55.05515	9.0
57.03450	4.2
57.07061	1.1
59.04998	0.7
59.91650	0.4
61.02930	2.5
65.03951	1.4
67.05509	46.5
69.03432	1.3
69.07068	10.7
70.75394	1.5
71.04996	13.8
73.02922	1.0
77.44193	0.5
79.05496	19.3
81.03423	1.5
81.07061	69.7
83.04993	4.9
83.08623	10.6
85.02911	3.0
85.06549	6.4
91.03957	0.9
91.05485	17.1
93.07048	30.5
95.04987	2.3
95.08611	11.6
97.02893	1.9
97.06540	6.8
97.10172	1.7
99.04460	0.4
99.08110	2.3
105.04575	0.5
105.07045	7.2
107.07876	1.0
107.08602	19.2
109.06557	1.5
109.08188	0.5
109.10167	6.4
111.08088	4.8
113.06052	0.7
117.07020	5.0
119.08563	1.8
121.06550	1.2
121.10147	10.6
123.08055	0.7
123.11725	8.6
125.09691	0.9
127.07537	0.5
129.05605	0.4
131.08577	6.2
133.10130	12.2
135.08095	1.1
135.11700	5.0
137.09642	0.5
147.11676	0.7
149.09622	0.7
149.13260	18.5
151.11201	5.9
151.12350	0.7
155.10793	0.5
159.11711	9.2
169.12305	1.1
177.12758	3.5
183.13814	2.4
187.13365	2.5
187.14806	0.4
195.13805	6.3
213.14970	0.8
225.14941	0.7
229.14386	2.0
251.16524	0.6
257.17587	1.5
269.17499	21.0
283.19077	0.6
301.16757	1.0
301.20096	8.3
423.27463	1.3
437.29010	43.5
438.28983	0.8
445.24207	0.6
445.29770	0.8
451.30554	6.4
463.30563	100.0
464.31042	2.7
495.33298	44.6
496.33685	1.5
513.30597	0.9
524.03003	0.5
639.37622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01876	1.5
55.05271	1.0
55.05521	13.4
57.03445	5.9
57.07084	2.2
59.05017	1.5
61.02932	5.0
65.03947	2.1
67.05513	63.8
69.03439	1.9
69.07078	13.6
69.40730	3.0
69.41134	1.2
71.05002	20.5
73.02927	1.4
79.05502	26.3
81.03433	4.0
81.07067	94.8
82.07403	0.6
83.05000	5.2
83.08629	14.3
85.02901	4.7
85.06553	8.7
87.04461	1.0
87.63576	0.5
91.03972	1.5
91.05493	24.5
93.07056	34.8
95.04985	3.8
95.08618	14.3
97.02901	2.7
97.06532	6.7
97.10177	3.7
99.08125	1.8
103.03947	0.7
105.04494	0.9
105.07050	10.3
107.04971	0.9
107.08606	23.0
109.02907	0.6
109.06551	2.3
109.10165	12.4
109.10934	0.6
111.08093	5.0
117.07030	6.1
119.08596	2.9
121.06535	1.7
121.10154	9.1
123.08118	1.1
123.11725	14.2
123.12589	1.1
125.09670	2.8
127.03935	0.6
129.05457	0.7
129.07018	1.0
131.08591	7.5
133.10149	22.9
135.08067	1.3
135.11728	7.2
137.09702	0.8
147.11717	1.4
149.09607	1.0
149.13283	14.7
151.11200	8.1
155.10747	0.9
159.11728	9.2
163.11185	1.0
165.12869	0.6
167.14406	0.7
169.12286	1.6
173.11801	1.6
177.12764	4.1
183.13832	3.1
187.13326	3.2
193.12459	0.6
195.13826	12.1
199.13387	0.6
201.14836	0.9
213.14960	1.5
225.14883	2.4
227.12907	0.8
229.14369	7.4
229.16318	0.8
257.17557	2.0
269.17508	28.4
270.17807	0.7
283.15570	0.7
297.16690	0.6
301.16541	2.1
301.20081	16.6
354.91666	0.5
393.26065	0.5
419.27838	1.1
423.27585	5.7
437.29059	69.3
438.29431	2.3
445.29877	1.1
451.30621	6.8
463.30594	27.9
464.31744	0.7
472.40271	0.6
495.33356	100.0
496.34070	2.9
513.30792	2.0
539.51764	0.5
567.84613	0.6
607.34833	1.6
618.88550	0.7
639.37543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.17976	0.7
55.01863	1.3
55.05511	12.3
57.03441	5.8
57.07081	7.3
61.02926	23.3
65.03918	1.2
67.05503	57.9
69.03413	3.3
69.07066	20.2
71.04977	1.4
71.08630	5.6
73.02913	8.8
78.27252	0.7
79.05014	0.8
79.05490	16.2
79.05920	0.6
81.03398	1.6
81.07053	71.9
82.07369	1.3
83.04966	1.5
83.08616	16.2
85.02903	29.6
85.06523	3.0
85.10170	2.5
87.44490	0.8
88.21497	0.9
91.03954	25.2
91.05473	11.5
93.07043	22.1
95.08605	64.5
96.08912	1.4
97.02878	15.5
97.06519	6.2
97.07046	1.0
97.10169	10.6
99.04476	1.1
99.08083	3.7
103.03943	1.0
105.07014	8.3
107.08585	16.0
109.02888	1.2
109.10155	33.5
111.08097	3.7
111.11720	3.5
113.09637	2.5
115.03897	1.0
115.35378	0.9
119.08585	11.5
121.10147	19.8
123.08022	0.9
123.11704	17.8
125.09631	2.0
127.03910	10.5
127.11140	1.2
133.10135	13.7
135.11682	11.6
137.09595	2.4
137.13277	7.5
139.11183	1.9
139.43906	0.8
140.95930	0.8
141.12730	2.9
145.04950	13.0
147.11688	8.8
149.13263	8.9
151.11191	1.5
151.14832	6.4
153.12761	0.9
155.14290	2.9
161.13246	13.8
163.06015	22.7
163.14815	9.8
165.12640	1.4
165.16385	9.2
175.14832	11.0
177.16396	1.7
179.14326	1.3
179.17941	7.3
181.15910	1.0
184.07338	1.6
189.16327	4.4
193.15816	1.1
203.17918	1.2
207.17496	0.9
217.19490	2.3
245.22644	67.7
247.24152	0.9
263.23694	100.0
264.24106	2.2
265.25244	3.6
279.98331	0.8
281.24734	4.3
337.27341	44.8
355.28311	12.6
499.32584	2.0
585.18268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.11791	1.0
55.01867	3.8
55.05517	16.1
57.03431	4.4
57.07069	2.3
59.02716	1.1
60.08168	3.1
65.03950	2.1
67.05510	28.3
69.03420	2.4
69.07068	16.8
71.04992	2.0
71.08638	22.6
71.52731	0.9
71.75934	1.0
74.05476	0.9
79.05501	21.6
81.03432	3.4
81.07060	30.4
83.04990	6.6
83.08622	9.8
85.06557	1.4
88.90172	1.3
91.05486	15.4
92.88976	1.3
93.07043	22.9
95.04976	7.8
95.08609	13.1
97.06530	3.5
97.10181	6.3
99.08105	16.5
105.07034	8.7
107.04926	3.3
107.08609	15.3
109.06548	3.0
109.10172	5.6
111.08109	1.8
113.28356	1.1
117.07013	4.8
119.08575	4.9
121.06525	5.7
121.10153	6.1
123.08061	1.6
123.11735	1.7
125.09643	4.7
129.07001	1.8
131.08618	6.1
133.10132	5.7
135.08076	1.7
135.11716	5.2
139.11197	2.2
145.10132	3.1
147.11690	4.8
149.13260	5.7
151.11165	8.0
159.11722	4.1
161.13309	3.1
163.11217	5.6
163.14801	1.5
165.12779	2.9
167.10660	1.9
167.99315	1.2
171.11763	1.6
175.14778	1.2
177.12773	5.0
179.14323	2.9
184.07362	5.6
189.11234	1.8
195.13887	4.0
227.12802	4.1
247.20656	1.3
259.20685	4.0
269.17490	9.3
275.20099	5.1
277.21680	7.5
293.21130	100.0
297.16837	1.1
337.02368	1.8
342.95328	1.2
351.25287	10.7
367.24860	20.3
397.21704	1.1
457.22162	1.2
465.32098	1.6
543.36908	2.2
545.37982	1.8
561.37878	50.0
562.38232	2.0
581.23999	2.1
637.30566	1.7
643.45679	8.3
696.46924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
55.01865	0.7
55.05267	0.4
55.05514	6.5
56.05047	3.3
57.03425	0.6
57.07076	3.0
58.06599	0.8
60.04535	2.4
61.02912	0.6
65.03938	0.6
67.04231	0.4
67.05508	10.8
68.05029	0.6
69.03432	1.7
69.07070	7.6
70.06595	2.1
70.64458	0.9
71.08639	1.9
71.46730	0.3
73.02946	0.4
76.03986	0.6
79.05496	9.2
80.05017	2.9
81.03407	1.4
81.05787	1.1
81.06589	0.6
81.07056	10.0
82.06585	6.2
83.04980	0.3
83.08628	4.8
84.08140	0.5
85.02909	3.8
85.10177	0.5
91.05480	8.9
93.05788	0.6
93.07048	9.5
94.06570	18.7
95.04964	1.0
95.07356	8.2
95.08608	7.3
96.07568	0.4
96.08134	5.8
97.02887	1.1
97.06532	0.7
97.10182	2.4
98.20811	0.3
99.04428	0.3
100.07620	0.5
105.04500	0.4
105.06403	0.4
105.07041	5.2
106.06545	0.3
107.07372	0.4
107.08591	5.1
108.08130	2.6
109.02884	0.3
109.10164	3.3
110.09673	0.4
111.11700	0.5
114.09195	0.3
117.07008	0.4
119.08583	5.5
120.08096	0.3
121.08862	0.5
121.10150	6.4
122.09663	2.0
123.11713	1.5
124.11217	0.5
127.03922	0.9
131.08553	0.3
133.10144	3.6
134.09676	0.6
135.10498	0.7
135.11690	2.7
136.11182	1.0
147.11661	1.2
149.13202	0.8
161.13272	0.7
163.14868	0.5
182.19089	0.4
183.36353	0.3
190.41426	0.3
193.19513	0.5
217.19450	0.4
219.20988	0.7
220.20619	0.4
233.22662	2.8
234.22169	0.5
245.20346	0.5
245.22665	5.3
247.24323	0.4
250.25313	6.3
254.24806	1.3
260.23853	0.4
262.25305	100.0
263.23380	0.5
263.25723	1.3
264.26837	0.7
272.25821	5.2
280.26349	5.4
310.27246	0.4
312.25308	0.8
314.26837	0.5
442.31964	0.6
504.47842	4.5
516.47784	32.3
517.47986	0.9
518.49341	8.3
534.48877	7.4
534.56812	0.4
535.49976	0.4
696.42963	0.4
696.54254	6.6
697.53613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05499	2.9
57.03424	2.1
57.07087	0.7
58.26222	0.8
59.04997	0.8
61.02927	8.0
61.48095	0.6
67.05508	17.6
69.03430	4.8
69.07070	2.5
70.03687	0.7
70.64082	2.0
71.04996	1.2
71.08621	0.6
72.19549	0.6
73.02930	5.5
79.05489	4.3
81.03420	3.0
81.07064	7.7
82.07375	1.1
83.04986	0.7
83.08617	2.4
85.02909	9.1
85.06536	1.5
87.04470	0.8
87.34814	0.6
91.03963	6.4
91.05466	3.4
91.51035	0.7
93.07039	5.5
95.04975	1.5
95.08611	3.9
97.02896	7.4
97.06510	0.7
99.04436	1.1
101.02373	3.2
103.03988	1.0
105.07048	2.6
107.08593	4.0
109.02861	1.5
109.06519	1.0
109.10165	13.2
111.08073	1.9
117.07014	0.7
119.08569	2.5
121.10141	2.0
123.08060	0.7
123.11677	0.9
127.03889	3.6
128.06197	0.6
129.05458	0.8
131.08543	1.8
133.10123	1.4
135.11731	1.4
145.10110	1.8
147.11679	1.0
149.13243	1.2
155.10664	1.8
156.03693	0.8
159.11784	1.1
163.05951	0.8
173.11765	3.9
173.13060	0.8
181.04738	1.4
185.04243	3.4
195.09959	1.4
195.13724	1.1
201.03699	1.4
203.05331	0.8
203.10947	0.7
221.11465	1.5
229.14313	3.5
235.13029	1.3
243.08426	5.5
243.21199	0.8
251.12552	1.1
261.22122	1.1
262.22388	1.4
269.17468	1.3
301.08969	5.9
308.15143	0.8
315.10434	2.8
329.12045	0.8
357.15277	0.8
358.66605	2.1
369.15231	0.9
371.16849	4.8
373.10922	2.5
385.18338	2.6
389.26523	1.5
413.17859	24.7
425.21567	4.1
429.17386	1.8
443.18890	1.1
453.20917	7.1
463.26547	0.9
469.20450	0.9
484.22961	1.2
485.19882	9.5
497.23563	1.5
499.21588	2.5
513.22247	0.8
516.21594	0.9
527.24658	0.8
541.26270	5.1
553.29327	2.1
567.31470	23.3
568.31805	1.7
596.31628	9.2
597.31738	1.6
600.31226	1.3
623.33484	1.0
625.31958	100.0
626.32080	2.4
628.30664	6.5
651.33466	6.7
651.43567	0.9
651.46875	0.7
652.34241	0.7
669.34186	1.7
697.34052	54.2
698.34503	1.9
707.13702	0.7
717.09058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.80783	0.2
55.01860	0.4
55.05512	1.3
57.03448	1.5
59.05000	0.2
61.02931	4.0
67.05511	4.8
69.03437	2.7
69.07077	1.2
71.04997	2.8
73.02924	2.7
79.05495	2.7
81.03422	1.8
81.07063	6.7
83.04992	0.7
83.08631	1.2
85.02913	4.6
85.06567	0.7
87.04504	0.4
91.03963	3.1
91.05489	3.3
93.07057	3.7
95.04994	0.5
95.08607	1.6
97.02908	3.6
97.06548	1.1
99.04478	0.9
101.02388	1.4
103.03959	0.6
105.07048	1.5
107.08614	2.3
109.02905	0.7
109.10168	1.3
111.08099	0.6
114.89970	0.2
115.03934	0.4
117.07072	0.9
119.08627	0.5
121.06512	0.2
121.10159	1.1
123.08012	0.2
123.11749	0.9
123.80513	0.2
127.03933	1.3
131.08604	0.9
133.10162	2.3
135.08112	0.3
135.11708	1.0
145.10141	0.2
149.13280	1.7
149.43684	0.2
151.11185	1.1
152.44525	0.2
155.10728	0.3
159.11752	0.8
173.11792	0.3
177.12857	0.4
183.06564	0.3
183.13872	0.4
185.04314	0.7
187.13367	0.3
195.13867	1.0
203.05316	0.4
220.27315	0.2
222.80582	0.2
235.12999	1.0
243.08441	2.1
257.17584	0.6
267.15662	1.9
269.17484	1.1
291.15799	0.4
301.09259	0.3
323.18390	0.5
355.16901	0.2
413.17877	0.8
441.21021	0.3
453.20975	7.9
485.23706	6.9
535.33075	0.3
567.31769	0.9
596.31683	0.3
625.31982	3.2
628.30322	0.3
653.34705	0.3
697.37714	100.0
698.37848	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	697.3769
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
50.68879	0.2
53.03949	0.3
53.44307	0.2
55.01884	0.5
55.05508	0.9
55.95687	0.2
57.03442	1.6
57.07080	0.2
57.32016	0.2
59.05009	0.3
61.02608	0.3
61.02929	4.2
65.03957	0.3
67.05511	5.4
69.03439	2.8
69.07076	1.0
71.01357	0.3
71.04643	0.3
71.04996	3.0
73.02924	2.8
79.05499	2.7
81.03420	1.4
81.07062	5.7
83.01342	0.2
83.05002	0.5
83.08646	1.0
85.02910	3.9
85.06539	0.4
87.04475	0.3
91.03962	2.1
91.05480	2.6
93.07052	3.4
95.04981	0.4
95.08604	1.4
97.02903	3.8
97.06530	1.0
99.04484	0.9
101.02374	1.4
105.07027	1.2
105.64242	0.2
107.08595	2.5
109.02892	0.8
109.06552	0.2
109.10155	1.0
111.08112	0.7
115.03853	0.2
117.07063	0.7
119.08624	0.4
121.10164	1.2
123.08121	0.2
123.11700	1.0
127.03924	1.4
129.05579	0.2
131.08598	1.0
133.10147	2.3
135.11755	0.7
139.11165	0.3
145.05014	0.3
145.10164	0.2
149.13284	2.2
151.11220	0.9
159.11731	1.4
177.12846	0.3
183.13875	0.5
185.04303	0.5
187.13382	0.6
195.13905	0.8
203.05287	0.3
235.13086	0.9
243.08398	2.6
243.10446	0.2
254.56996	0.2
257.17581	0.9
264.16837	0.2
267.15683	1.5
269.17542	0.4
291.15823	0.6
301.20242	0.3
323.18253	0.3
441.21146	0.5
453.20981	9.8
454.21097	0.3
485.23602	7.0
517.32098	0.3
535.32086	0.2
550.66376	0.2
567.31445	0.3
625.31934	1.4
697.37714	100.0
698.37994	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	698.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01863	0.8
57.03436	1.4
59.16641	0.5
61.02924	1.9
67.01849	0.8
69.03436	6.3
69.49848	2.1
69.50256	1.7
70.06573	0.7
73.02914	2.6
81.03429	2.6
85.02909	16.8
91.04006	1.1
91.05486	1.2
97.02902	6.0
98.21526	0.8
99.04462	1.1
100.11256	2.9
101.84239	0.6
103.05460	0.9
105.03352	0.8
109.02876	1.5
117.07024	1.1
118.06549	10.8
123.04429	1.5
127.03903	3.1
129.07011	2.3
130.06534	100.0
132.08141	4.5
135.04454	0.6
143.07317	2.1
144.08089	36.5
145.04958	2.1
147.04396	0.9
151.03914	2.8
154.22925	0.6
155.03383	1.1
156.08101	7.8
160.07571	3.0
163.03935	3.5
167.03400	1.6
169.05013	5.2
172.07578	35.2
174.09161	23.5
177.05472	1.3
179.03419	8.9
181.04970	4.9
182.15359	0.7
185.04411	3.4
187.03958	1.4
190.08644	75.0
191.03432	1.3
191.09015	1.0
193.05009	4.1
195.06537	0.7
197.04456	35.1
203.03421	4.5
205.04953	5.3
208.88176	0.7
209.04475	9.0
210.14867	1.5
213.00478	0.6
221.04440	19.2
222.04732	1.0
223.06018	25.9
223.08205	1.3
239.05516	13.9
241.07079	13.2
257.06573	21.9
338.10229	7.9
340.11823	5.4
401.10953	3.2
403.12311	1.1
419.11935	1.5
500.15604	4.4
680.51141	1.9
697.52106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05516	23.5
56.05024	0.7
57.03443	7.5
57.07080	13.9
61.02931	21.9
65.03919	1.2
67.05509	30.2
69.03432	3.4
69.07072	40.3
70.11449	3.0
71.05016	3.0
71.05328	0.7
71.08303	0.7
71.08637	9.5
73.02576	0.8
73.02918	8.7
75.04452	2.0
79.05080	1.2
79.05497	15.6
81.03393	1.8
81.07060	41.9
83.04995	1.4
83.08625	34.0
85.02910	27.3
85.06527	2.2
85.10191	5.9
91.03959	24.1
91.05463	2.3
93.06493	1.3
93.07049	21.0
93.47565	0.6
95.04924	1.0
95.08614	40.0
97.02898	13.1
97.06536	7.4
97.10177	24.1
98.20786	0.9
99.04469	1.0
99.08071	2.4
105.07043	1.0
107.08599	16.4
109.02855	1.3
109.10162	21.4
111.08062	5.3
111.11726	7.4
113.09601	1.9
113.49914	0.8
115.03926	1.4
121.10149	36.8
123.11707	7.8
125.09621	3.7
125.13238	2.0
127.03930	10.1
127.60348	0.7
129.12773	0.7
132.40970	0.7
135.11699	26.8
137.13293	4.4
139.11160	2.7
141.12769	0.7
145.04979	11.7
149.13263	13.7
151.14824	4.2
153.12714	1.4
157.12256	0.9
163.06027	22.7
163.14824	5.7
165.16446	4.7
167.14268	1.0
171.13838	0.9
177.16377	2.9
179.17902	1.0
181.15891	0.8
185.15399	0.7
191.17923	1.7
199.16888	0.9
205.19528	0.8
247.24228	31.3
265.25275	89.8
266.25659	2.2
283.26343	20.0
323.76990	0.7
339.28961	100.0
340.29370	2.6
357.30005	70.4
358.30450	2.1
501.34216	5.7
663.39545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	1.8
55.05269	2.4
55.05517	32.3
57.03439	7.5
57.07082	19.2
59.04994	1.2
59.52174	1.3
61.02933	25.8
64.64528	1.4
67.05510	41.2
69.03425	4.6
69.07073	51.9
71.04994	2.6
71.08641	11.0
71.52480	1.7
72.55743	1.3
73.02919	13.8
75.04476	2.4
75.78065	1.3
79.05499	17.5
81.03413	1.9
81.06592	2.5
81.07063	47.7
83.08156	2.7
83.08627	45.2
83.09123	2.3
83.14456	1.2
85.02914	33.6
85.06571	2.7
85.10189	5.4
91.03966	27.0
91.05495	4.9
93.07051	25.9
95.04970	1.8
95.08619	51.5
97.02900	16.5
97.06523	9.8
97.10180	25.1
99.04428	1.5
99.08076	2.3
105.07061	1.7
107.08605	19.9
109.02846	2.3
109.10165	27.4
111.08089	6.1
111.11734	9.6
113.09642	2.0
115.03925	2.2
121.10154	46.0
123.11713	9.8
125.09631	6.1
125.13303	2.0
127.03933	8.6
135.11705	36.6
136.11978	1.6
137.13268	5.0
139.11201	2.2
145.04967	18.0
149.13277	17.2
151.14799	4.4
153.12784	2.2
163.06035	29.4
163.14845	6.7
165.16428	4.9
177.16338	3.4
184.07358	1.6
191.18086	2.4
247.21617	1.6
247.24240	36.7
265.25299	100.0
266.25583	2.4
283.26343	22.2
313.27478	4.1
314.27676	1.6
339.28986	89.4
351.14395	1.9
357.30020	83.8
358.30267	1.9
425.18219	1.9
501.33658	2.3
606.78625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
54.32324	1.6
55.01866	7.8
55.05271	2.6
55.05515	33.1
57.03437	9.9
57.07075	7.2
65.03950	3.3
67.05507	90.4
69.03433	3.5
69.07068	28.0
69.25544	16.3
71.04980	7.9
71.08634	21.6
77.03909	2.2
79.05494	63.4
81.03412	8.6
81.07058	100.0
83.04983	16.8
83.08623	21.5
85.06536	6.2
86.99402	2.5
91.05482	53.1
93.07047	80.0
95.04984	17.2
95.08609	50.2
97.06524	15.2
97.10174	6.3
99.08089	21.0
103.05527	2.4
105.04532	2.0
105.07040	33.7
107.04947	5.7
107.08595	42.5
107.19102	2.3
109.06511	9.6
109.10148	16.0
111.08091	8.5
115.05437	2.3
117.07037	15.6
119.08589	22.8
121.06514	5.0
121.10152	22.0
123.08080	5.1
123.11698	6.8
125.09632	6.3
129.07021	7.9
131.08583	19.5
133.10136	23.2
135.08037	6.0
135.11664	17.2
137.13303	2.6
139.11169	5.6
143.08572	8.0
145.10138	12.2
147.11702	11.3
149.09592	2.0
149.13271	23.8
151.11186	23.9
157.10132	7.3
159.11737	15.0
161.13268	11.3
163.11159	12.8
163.14694	2.3
165.12781	4.5
165.70941	2.0
169.10124	2.3
171.10275	1.9
171.11581	3.7
173.11801	3.3
175.14836	4.8
177.12785	9.0
179.14330	6.2
181.10201	2.4
185.13297	4.3
187.14812	2.0
189.11200	3.0
195.13786	9.8
199.14833	3.1
209.13161	2.0
225.16362	1.7
227.12784	8.1
240.53664	2.6
241.19518	5.5
251.16336	3.9
259.20596	7.5
261.22293	2.5
267.15836	2.7
269.17490	48.4
277.21619	31.2
295.22626	3.2
351.25293	35.4
351.29559	2.7
364.48410	2.0
367.24963	4.8
369.26099	2.7
385.27438	2.6
435.32217	3.0
445.29199	5.6
447.31064	2.8
449.29004	2.5
453.33310	3.0
463.30542	53.5
471.35040	3.3
517.38647	3.0
527.37292	8.8
545.38373	40.0
545.45538	1.4
546.38776	3.5
563.39105	8.3
623.23340	2.2
645.45300	2.7
699.44135	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	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51929	1.8
50.53060	2.0
53.03948	5.6
55.01879	5.1
55.05516	35.8
57.03441	8.9
57.07078	8.1
64.76392	2.1
65.03951	3.0
67.05513	84.2
67.55162	1.9
69.03426	2.3
69.07074	27.4
71.05004	6.9
71.08637	29.7
71.53043	3.7
79.05499	61.3
81.03416	7.7
81.07063	100.0
83.04979	19.6
83.08620	25.3
85.06559	5.8
91.05487	44.7
93.07051	78.9
93.32412	2.1
95.04974	14.6
95.08610	46.8
96.83724	1.8
97.06555	11.0
97.10162	13.2
99.08099	23.7
105.07040	36.4
107.04950	3.2
107.08607	36.1
109.06542	6.9
109.10147	22.3
111.08089	8.1
113.09647	2.3
117.07038	18.8
119.08607	22.7
119.80700	2.0
121.06515	4.4
121.10162	21.3
123.11724	6.3
125.09640	6.9
128.75592	1.9
129.07034	8.2
131.08580	20.8
133.10130	21.5
135.08107	2.9
135.11682	13.9
137.09541	2.8
137.13245	2.2
138.25975	2.1
139.11201	6.2
139.23129	1.9
143.08591	6.3
145.10135	9.1
147.11711	13.2
147.71402	1.9
149.09665	5.0
149.13281	18.3
151.11183	21.6
157.10214	4.8
157.28485	2.0
159.11696	13.2
161.13257	12.2
163.11186	13.0
163.14796	4.8
165.12830	3.9
169.10130	4.2
171.11774	6.7
172.15094	2.0
173.11708	2.1
173.13200	2.9
175.14935	2.7
177.12769	5.8
179.14325	7.0
185.13287	4.7
189.11263	6.4
195.13834	12.9
198.16000	2.0
204.71709	2.0
227.12753	12.5
229.14131	2.3
231.21144	3.0
233.15282	2.3
241.19545	4.6
247.08885	2.2
251.16405	3.1
259.20618	7.2
267.15881	3.1
269.14868	4.1
269.17496	38.3
277.21622	30.2
295.22543	3.8
317.24957	2.6
333.24536	2.3
351.25345	41.6
353.24640	2.1
361.06219	2.0
367.24789	3.1
369.26514	2.4
389.26715	3.1
445.29315	5.4
461.29068	2.6
463.30533	37.7
471.34879	4.4
489.36060	2.9
517.38794	3.3
527.37091	9.0
545.38416	55.4
563.39447	5.9
627.46027	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	699.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
55.01883	21.2
55.05506	11.6
57.03450	10.3
57.07072	2.5
58.62117	1.8
61.02936	3.1
63.86207	2.1
65.03951	3.6
67.01865	2.7
67.05510	34.0
69.03436	19.0
69.07071	14.4
69.49021	2.0
70.64552	2.1
70.64905	6.3
71.01346	3.3
71.04975	6.5
73.02928	4.6
79.05502	35.8
81.03424	100.0
81.07064	38.9
83.01343	4.0
83.04987	8.6
83.08619	8.2
85.02899	15.7
85.06535	2.8
91.04974	3.6
91.05487	40.7
93.07059	36.4
95.01344	8.9
95.04971	28.5
95.08609	21.0
97.02904	18.1
97.06555	8.4
97.10175	3.7
99.04472	6.9
103.05499	3.3
105.03433	2.2
105.07043	25.5
107.04959	22.9
107.08617	17.2
109.02883	25.6
109.06509	11.0
109.10174	5.3
111.04461	7.5
111.08112	5.0
113.02338	2.4
115.05435	4.4
117.07051	16.1
119.04965	6.6
119.08596	15.2
119.09319	2.7
121.02876	7.0
121.06514	27.9
121.09373	2.7
121.10113	13.3
123.04440	11.7
123.08099	4.6
123.11739	3.2
125.02384	11.4
125.09663	2.2
127.03921	23.2
129.06993	13.9
129.80421	1.9
131.04950	9.0
131.08575	19.6
133.06491	8.0
133.10138	18.4
135.04451	12.4
135.08049	10.6
135.11700	7.9
137.06003	5.0
137.09570	3.3
139.03923	8.2
141.01849	4.3
141.07002	4.0
143.03394	3.8
143.08615	11.5
145.06500	9.8
145.10155	13.6
147.04431	17.2
147.08067	9.0
147.11693	9.7
149.02370	2.5
149.05968	5.3
149.09607	5.2
149.13249	6.6
151.03923	6.5
151.11197	2.4
153.05496	6.8
155.03403	53.7
155.08539	4.9
157.06543	2.7
157.10196	2.6
159.04395	2.6
159.08113	4.2
159.11737	13.9
161.06030	7.5
161.09647	3.4
161.13268	8.5
163.03925	21.7
163.07610	2.4
163.11235	3.6
165.05493	4.6
167.03406	12.4
169.04979	7.5
169.06346	3.0
169.10175	6.2
171.08061	3.0
171.11687	13.6
173.06013	7.9
173.09644	3.4
175.03935	2.9
175.11241	4.6
177.05511	9.6
177.09195	2.3
177.12791	17.3
179.03421	33.6
181.04994	9.2
183.08026	2.5
183.11815	5.2
185.04492	55.3
185.05952	2.4
187.03940	3.7
187.07635	4.2
187.11255	6.0
187.14749	3.0
189.05438	7.8
189.12802	7.1
191.03438	3.6
191.07013	3.0
191.14247	3.3
193.04968	2.8
195.13866	3.0
197.04492	26.3
197.06126	3.7
197.09636	5.0
197.13277	4.1
199.11099	2.8
201.05502	4.3
201.09119	2.7
201.12746	4.6
203.03398	9.8
203.07039	3.4
203.10820	2.2
205.04988	7.8
205.12280	7.7
207.06445	3.0
207.13791	39.4
209.04460	8.4
213.05620	4.4
215.10616	2.8
215.14429	5.1
217.12250	2.9
219.06544	5.6
219.13870	6.2
221.04445	26.0
223.06032	3.6
225.12778	3.8
227.05551	6.3
229.12465	2.7
231.06525	3.9
233.04475	2.3
233.08110	2.8
233.15424	6.6
235.13309	2.4
237.14821	5.0
241.12222	2.1
243.13843	9.6
245.15340	3.6
251.05583	4.3
261.14871	31.0
263.16528	2.4
265.14474	2.4
271.13223	3.4
273.14859	5.6
275.05563	12.5
275.16336	2.8
279.15875	2.6
285.14816	7.6
289.14380	40.8
291.16022	4.6
301.14377	17.9
303.15942	15.2
307.15421	56.3
315.16061	3.3
317.13882	9.7
319.15411	78.9
321.16934	16.4
325.16647	33.9
331.15549	2.8
335.14954	57.8
343.15439	23.2
353.15997	36.9
361.16483	42.5
367.17328	2.8
371.17044	6.3
377.15866	3.1
379.17526	3.1
381.16696	3.9
395.16943	9.0
397.16489	3.1
403.17490	2.2
409.16534	6.1
413.17767	2.7
415.17493	5.8
417.18912	2.5
427.17651	17.6
433.18527	6.9
443.17307	6.1
445.18741	7.0
451.19617	4.3
461.18033	12.9
463.19641	10.8
469.20020	10.5
479.19116	28.7
481.20624	16.1
487.19724	16.9
497.20435	31.2
505.20538	12.6
523.21771	73.5
537.19635	4.0
645.21863	3.8
655.57776	2.5
681.23975	3.5
699.35785	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01871	0.6
55.05506	1.2
57.03439	0.9
58.94355	0.4
61.02920	1.5
61.47964	0.4
67.01849	0.9
67.05489	1.5
69.03436	4.1
69.07062	1.6
70.06585	0.5
70.56783	1.3
77.03921	0.5
79.05492	1.4
81.03407	1.6
81.07049	1.4
83.01336	1.3
83.04967	0.6
83.08610	0.9
85.02431	0.9
85.02909	10.4
90.07336	0.5
91.03963	1.0
91.05480	3.8
93.07043	3.5
93.94264	0.5
95.01340	0.5
95.04973	1.3
95.08603	2.0
97.02900	3.2
105.07047	6.0
107.08595	6.3
108.47272	0.4
109.02901	1.6
109.10175	2.5
117.07008	0.9
119.04934	0.5
119.08587	12.3
120.09406	0.5
121.10143	4.3
123.04440	2.3
123.08067	0.7
123.11710	0.7
127.03958	2.1
131.08583	4.7
133.10141	10.3
135.08112	0.7
135.11691	13.4
137.02374	0.8
137.09586	0.7
139.03854	0.5
143.08553	1.5
145.05002	1.6
145.10126	3.0
147.04430	1.6
147.11693	69.0
148.12115	0.5
149.13263	1.3
151.03909	4.7
155.03397	1.4
157.10124	0.6
158.10933	2.2
159.11705	2.4
161.13272	7.5
163.03909	0.7
163.14853	0.6
165.01854	0.9
165.05659	0.5
167.03391	1.2
167.08565	0.6
169.04980	8.5
171.08084	0.7
173.13274	11.7
174.13942	1.0
175.03917	0.7
175.14819	0.7
177.05476	0.8
179.03413	12.9
181.04988	0.7
181.10109	0.8
183.02934	2.9
185.04411	1.6
185.09688	0.7
187.03868	0.6
189.05426	0.5
191.03448	0.5
191.14308	3.5
193.04968	2.6
195.08067	0.6
197.04465	42.0
199.07520	0.9
203.03391	5.5
205.04884	0.6
209.04489	1.0
209.09660	1.4
211.02457	0.8
211.06004	9.1
213.03888	0.5
213.09100	0.9
217.04956	2.7
221.04454	13.3
223.05948	4.0
225.07539	1.0
227.07120	0.6
227.10641	0.5
235.06026	7.2
237.07565	1.4
237.09508	0.6
240.07806	1.0
241.08650	2.6
245.08107	0.9
249.07545	3.0
255.10226	1.9
257.08099	0.7
259.09735	0.9
263.09174	2.8
265.08664	1.3
269.08081	1.4
273.07547	1.3
273.11295	0.5
279.10019	0.5
283.09677	6.8
287.09149	3.9
288.09845	0.6
289.10657	2.4
291.12378	0.6
297.11264	1.3
301.10739	16.8
302.11371	1.4
303.12167	0.6
314.11307	0.6
315.12259	4.0
315.15662	0.8
319.31833	0.5
321.14645	0.5
327.12360	0.7
331.15320	0.8
333.16959	0.7
339.16046	1.8
357.16974	100.0
358.17227	2.3
373.11270	0.9
375.18033	87.3
376.18140	2.6
519.22131	4.8
537.23090	1.8
622.82568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01871	1.7
55.05512	11.9
57.03441	12.0
57.07061	3.2
59.05003	1.2
61.02917	4.7
65.03941	2.5
67.05511	61.0
69.07076	11.8
69.26554	12.1
71.05009	7.3
71.08620	1.6
73.06586	1.2
79.05503	26.7
81.07062	100.0
83.08600	7.1
85.02890	4.1
85.06545	11.5
91.03957	2.6
91.05487	15.5
93.07052	20.3
95.08612	26.1
95.92933	1.8
97.02862	2.0
97.10197	2.2
99.08112	1.4
105.07034	11.6
107.08619	12.7
109.10156	13.5
111.08022	1.6
117.07014	2.6
119.08575	6.6
121.10161	11.5
123.11723	14.5
131.08577	5.8
133.10138	11.7
135.11729	7.7
145.10124	2.3
147.11655	4.1
148.64616	1.4
149.13264	4.0
150.00816	1.4
151.11186	4.4
157.90811	1.3
159.11682	3.1
161.13261	2.8
163.14801	2.6
169.12189	2.1
173.13284	1.9
184.07327	2.9
187.13275	9.3
225.31711	1.2
227.12846	1.6
241.14308	1.6
243.15945	68.8
243.21135	6.1
243.50410	1.3
244.16298	1.8
261.22186	10.8
317.24719	3.1
335.25833	68.0
336.25977	1.6
405.98151	1.6
503.37350	62.7
504.38269	1.4
521.38165	3.9
571.46771	5.4
699.39545	1.6
700.44214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01878	17.6
55.05271	2.8
55.05516	37.6
57.03443	8.5
57.07066	2.6
65.03944	6.0
67.05511	73.6
69.03419	6.4
69.07077	22.7
69.84209	6.2
71.04982	3.6
77.03973	1.4
79.05500	52.6
81.03419	8.0
81.06584	3.4
81.07064	66.7
83.01356	2.6
83.04978	6.4
83.08633	18.8
85.02901	4.4
85.06541	4.4
91.05487	51.0
93.03402	3.7
93.07051	42.2
95.01340	11.2
95.04980	11.5
95.08617	44.3
97.02905	4.8
97.06530	5.7
97.10187	18.5
103.05487	3.4
105.04532	2.7
105.07040	41.0
107.04977	8.2
107.08607	29.6
109.02907	3.3
109.06534	6.8
109.10166	21.1
111.04432	2.3
111.08071	3.4
111.11720	1.9
113.02389	1.7
115.05476	5.6
117.07029	23.0
119.04945	4.3
119.08601	33.0
121.02898	3.9
121.06525	5.6
121.10151	16.6
123.04424	5.4
123.08054	7.4
123.11732	7.3
125.02372	4.6
125.09639	11.7
128.06241	5.9
128.78116	1.4
129.07030	22.5
130.07791	3.7
131.04933	2.5
131.08583	29.6
133.06522	5.0
133.10155	17.9
134.11295	1.4
135.04431	5.6
135.08084	5.5
135.11728	9.8
137.02365	3.1
137.06035	2.2
137.09583	1.8
139.03925	3.3
141.06976	12.9
142.07817	5.4
143.08577	22.2
144.09340	2.7
145.06514	5.4
145.10139	23.5
147.04417	5.7
147.08090	4.4
147.11708	13.6
149.02332	5.5
149.05965	4.0
149.09683	4.8
149.13292	4.1
151.03888	10.8
151.11217	2.7
153.05634	1.8
153.07027	4.9
153.09074	2.1
154.07814	3.6
155.03374	3.0
155.08577	24.9
156.09375	3.0
157.06482	4.3
157.10118	17.5
159.04506	3.5
159.08081	4.2
159.11681	19.9
161.06026	5.5
161.09659	5.5
161.13235	8.5
163.03925	9.3
163.07578	1.9
163.11188	3.0
165.01846	8.1
165.05553	3.3
165.06969	3.4
165.09206	2.0
166.07832	3.1
167.03441	6.0
167.08594	9.8
168.09386	3.3
169.05061	3.6
169.06442	3.2
169.10121	21.6
170.10994	1.7
171.08109	5.5
171.11668	15.6
172.08829	1.8
173.06013	4.1
173.09648	4.9
173.13251	12.2
175.03958	7.8
175.07552	2.3
175.11241	4.2
175.14838	3.6
177.01906	2.0
177.05527	3.5
177.12857	2.3
179.03432	3.7
179.08635	6.0
180.09355	2.8
181.10155	12.9
182.10944	2.6
183.08121	3.8
183.11702	22.6
185.09637	7.8
185.13292	8.8
187.03978	2.5
187.07629	3.6
187.11223	3.7
187.14861	4.7
189.05522	4.6
189.11246	6.1
189.12762	2.2
191.03340	2.6
191.08643	1.9
191.10736	2.1
193.10205	8.4
193.11963	1.6
194.10925	1.5
195.02945	2.0
195.08110	6.6
195.11719	12.8
197.06134	1.9
197.09663	5.1
197.13261	13.7
199.03935	3.1
199.07605	3.6
199.11214	3.4
199.14905	4.6
201.05608	1.8
201.09152	3.2
203.03529	1.8
203.07014	2.2
203.08813	1.7
205.05055	4.5
205.10193	5.4
207.08192	2.7
207.11766	6.7
209.09689	4.0
209.13348	7.9
211.07693	2.7
211.11269	4.5
211.14809	7.5
213.09203	4.0
213.12843	2.4
215.10724	4.1
217.12248	2.9
217.29904	1.7
219.11816	3.6
220.12663	1.5
221.13307	5.3
223.07703	2.2
223.11137	3.8
223.14890	5.4
225.09250	3.4
225.12822	2.3
225.16499	4.4
227.10803	2.0
227.12820	5.5
229.08527	2.6
229.12245	2.5
231.10014	2.7
232.12506	2.3
233.09724	2.4
233.13393	4.7
235.11176	2.9
235.14890	4.4
237.12881	3.6
237.16486	4.3
239.05576	3.3
239.10716	3.5
241.08597	2.9
241.12393	2.7
241.19481	2.0
243.10297	2.9
243.21121	2.5
249.16545	2.1
251.17928	2.8
253.08594	2.4
255.10083	2.4
257.11670	3.2
259.20694	5.9
261.11292	1.9
261.22235	2.0
263.17932	2.5
265.19769	1.8
267.10492	1.6
267.21426	2.4
271.09586	2.8
275.12933	2.3
281.22458	1.8
283.20648	2.1
285.11316	5.0
285.22162	6.3
289.10849	1.9
289.21741	2.4
291.13086	2.0
295.20645	1.7
301.10809	2.7
301.15683	1.8
301.21829	1.8
303.12183	10.6
303.23358	4.1
307.20404	2.2
313.10782	2.5
315.23285	2.1
319.11752	2.0
321.13364	9.8
331.11981	5.4
333.13431	3.7
333.24292	5.3
335.25812	6.9
337.12567	1.9
349.12939	8.7
351.14362	2.7
359.26205	2.0
363.25485	7.6
365.24918	3.2
367.14005	1.9
393.24289	3.1
399.16226	1.8
404.05203	1.8
415.30161	4.7
421.23871	3.9
423.16599	5.8
424.29129	1.6
425.18051	4.0
433.31430	7.7
435.32782	2.7
439.24692	3.6
463.32413	2.0
498.37360	3.7
507.34705	5.0
517.33008	2.2
523.34479	2.2
525.35828	23.6
526.36505	18.9
527.31396	3.3
527.38220	3.3
555.31171	4.8
563.33704	5.9
565.35089	3.1
573.32080	7.3
581.34741	2.1
585.30273	1.6
591.33319	14.1
609.34381	16.5
619.36261	2.9
627.35522	4.5
629.34503	2.0
635.36127	4.8
637.37170	3.4
647.35468	6.1
655.38373	7.0
665.36877	20.8
673.38770	2.0
683.37909	66.8
684.38593	1.9
701.39014	100.0
702.39294	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	701.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01878	16.8
55.05516	35.9
57.03434	8.6
57.07082	4.4
64.90385	1.9
65.03941	7.6
67.05513	68.6
69.03436	9.5
69.07072	18.5
71.01379	3.0
71.52666	2.6
72.38771	2.4
75.61385	2.2
77.58035	1.9
79.05064	4.4
79.05498	52.9
79.75852	2.0
81.03436	7.8
81.07060	63.2
83.05000	6.7
83.08614	16.8
85.02921	3.1
85.06527	2.8
90.16859	2.2
91.05489	48.0
93.07052	48.5
95.01346	11.3
95.04981	11.7
95.08613	39.4
96.52909	2.1
97.02901	5.2
97.06564	5.6
97.10180	18.1
99.08157	2.1
103.05489	2.8
105.07037	44.0
107.04962	5.7
107.08607	27.8
109.02907	5.4
109.06544	5.1
109.10172	22.9
111.04498	2.1
111.08092	6.3
112.05802	1.8
113.02380	2.4
113.08846	2.2
115.05462	7.9
117.07034	26.8
119.04918	2.7
119.08592	32.1
121.02893	3.6
121.06539	8.6
121.10204	14.9
123.04467	6.8
123.08102	8.4
123.11722	6.9
125.02412	3.1
125.09644	14.9
128.06255	5.9
129.07013	18.2
131.04968	4.3
131.08575	30.5
131.75992	2.0
133.06546	5.8
133.10141	18.2
135.04459	5.2
135.08078	4.6
135.11740	9.6
137.09663	2.8
139.03871	3.7
141.07002	10.9
142.07829	6.1
143.08557	22.2
144.62576	2.0
145.06546	5.2
145.10136	32.0
147.04463	3.8
147.08076	4.0
147.11691	12.5
149.02335	5.2
149.06050	3.9
149.09612	3.9
149.13252	4.4
151.03943	8.5
151.11133	2.7
153.05560	2.4
153.07086	3.2
154.07829	3.9
155.03429	5.5
155.08560	22.4
156.09386	3.9
157.06549	4.5
157.10155	18.3
159.08093	6.1
159.11728	21.8
161.06007	5.6
161.09677	4.8
161.13319	8.5
163.03967	7.7
165.01840	3.6
165.07069	4.5
166.07730	2.6
167.03421	2.9
167.08655	8.5
169.10150	23.7
171.08141	6.0
171.11717	15.1
173.06076	5.6
173.09709	5.7
173.11992	2.4
173.13165	10.2
175.03983	7.9
175.07542	2.4
175.11255	3.6
175.14931	3.4
177.05554	2.9
177.12709	3.0
179.03418	2.3
179.08640	8.0
180.09531	3.2
181.06519	2.9
181.10115	13.5
183.08173	3.4
183.11690	14.7
185.09680	5.2
185.13376	8.8
187.07607	2.7
187.11269	5.2
187.14801	5.1
189.05540	6.0
189.11258	4.2
189.12831	3.1
191.08606	2.6
191.10756	2.8
193.10222	4.4
195.02971	3.4
195.08179	3.4
195.11783	12.7
197.04454	2.7
197.09691	5.7
197.13261	10.2
198.14063	3.7
199.03932	2.3
199.11339	3.4
199.13187	2.8
199.14937	6.3
201.09207	3.8
201.16399	2.6
205.05028	4.2
205.10222	3.2
207.11787	6.6
209.09734	3.8
209.11613	2.6
209.13365	9.0
211.11179	4.4
211.14940	8.7
213.09215	4.9
213.12868	3.9
215.10854	3.2
217.10226	3.8
219.11920	4.4
221.09746	3.5
221.13330	6.1
223.14931	7.7
225.16435	4.5
227.10802	2.7
227.12851	6.5
229.08707	2.4
229.12343	2.6
229.14461	3.3
231.09982	2.3
233.13383	4.8
235.11322	3.2
235.14992	6.3
237.16463	3.7
239.10663	3.4
239.18129	2.4
241.19572	3.8
243.10115	3.5
257.11768	3.9
259.20654	6.2
261.11359	2.4
261.16586	3.2
261.22159	3.1
265.19821	2.9
269.11725	3.4
275.20276	2.3
283.20648	3.6
285.11334	4.7
285.22263	7.7
287.12894	4.4
289.21707	3.1
291.12549	2.5
303.12323	5.6
303.23340	3.2
309.22202	2.5
315.12271	2.7
321.13571	10.3
321.22351	3.6
327.23425	2.5
331.12057	2.7
333.24295	3.6
335.26068	7.6
349.13080	9.3
351.14597	4.0
363.25473	6.3
395.17310	3.1
415.30258	2.7
421.23987	5.1
423.16714	5.5
431.29529	2.5
433.30997	10.3
498.36810	2.6
504.34256	3.0
507.35001	5.8
516.42548	2.7
525.35803	25.4
526.36615	19.3
539.33795	2.4
545.32648	3.1
555.31134	4.6
563.34015	4.7
573.32538	9.2
581.34827	3.6
591.33221	12.2
609.34265	15.4
619.36249	4.1
627.34967	5.1
635.35327	3.4
637.37439	4.3
647.35992	6.2
655.38220	5.7
665.36786	17.4
683.37958	67.7
701.39148	100.0
702.39496	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	701.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01878	16.8
55.05516	35.9
57.03434	8.6
57.07082	4.4
64.90385	1.9
65.03941	7.6
67.05513	68.6
69.03436	9.5
69.07072	18.5
71.01379	3.0
71.52666	2.6
72.38771	2.4
75.61385	2.2
77.58035	1.9
79.05064	4.4
79.05498	52.9
79.75852	2.0
81.03436	7.8
81.07060	63.2
83.05000	6.7
83.08614	16.8
85.02921	3.1
85.06527	2.8
90.16859	2.2
91.05489	48.0
93.07052	48.5
95.01346	11.3
95.04981	11.7
95.08613	39.4
96.52909	2.1
97.02901	5.2
97.06564	5.6
97.10180	18.1
99.08157	2.1
103.05489	2.8
105.07037	44.0
107.04962	5.7
107.08607	27.8
109.02907	5.4
109.06544	5.1
109.10172	22.9
111.04498	2.1
111.08092	6.3
112.05802	1.8
113.02380	2.4
113.08846	2.2
115.05462	7.9
117.07034	26.8
119.04918	2.7
119.08592	32.1
121.02893	3.6
121.06539	8.6
121.10204	14.9
123.04467	6.8
123.08102	8.4
123.11722	6.9
125.02412	3.1
125.09644	14.9
128.06255	5.9
129.07013	18.2
131.04968	4.3
131.08575	30.5
131.75992	2.0
133.06546	5.8
133.10141	18.2
135.04459	5.2
135.08078	4.6
135.11740	9.6
137.09663	2.8
139.03871	3.7
141.07002	10.9
142.07829	6.1
143.08557	22.2
144.62576	2.0
145.06546	5.2
145.10136	32.0
147.04463	3.8
147.08076	4.0
147.11691	12.5
149.02335	5.2
149.06050	3.9
149.09612	3.9
149.13252	4.4
151.03943	8.5
151.11133	2.7
153.05560	2.4
153.07086	3.2
154.07829	3.9
155.03429	5.5
155.08560	22.4
156.09386	3.9
157.06549	4.5
157.10155	18.3
159.08093	6.1
159.11728	21.8
161.06007	5.6
161.09677	4.8
161.13319	8.5
163.03967	7.7
165.01840	3.6
165.07069	4.5
166.07730	2.6
167.03421	2.9
167.08655	8.5
169.10150	23.7
171.08141	6.0
171.11717	15.1
173.06076	5.6
173.09709	5.7
173.11992	2.4
173.13165	10.2
175.03983	7.9
175.07542	2.4
175.11255	3.6
175.14931	3.4
177.05554	2.9
177.12709	3.0
179.03418	2.3
179.08640	8.0
180.09531	3.2
181.06519	2.9
181.10115	13.5
183.08173	3.4
183.11690	14.7
185.09680	5.2
185.13376	8.8
187.07607	2.7
187.11269	5.2
187.14801	5.1
189.05540	6.0
189.11258	4.2
189.12831	3.1
191.08606	2.6
191.10756	2.8
193.10222	4.4
195.02971	3.4
195.08179	3.4
195.11783	12.7
197.04454	2.7
197.09691	5.7
197.13261	10.2
198.14063	3.7
199.03932	2.3
199.11339	3.4
199.13187	2.8
199.14937	6.3
201.09207	3.8
201.16399	2.6
205.05028	4.2
205.10222	3.2
207.11787	6.6
209.09734	3.8
209.11613	2.6
209.13365	9.0
211.11179	4.4
211.14940	8.7
213.09215	4.9
213.12868	3.9
215.10854	3.2
217.10226	3.8
219.11920	4.4
221.09746	3.5
221.13330	6.1
223.14931	7.7
225.16435	4.5
227.10802	2.7
227.12851	6.5
229.08707	2.4
229.12343	2.6
229.14461	3.3
231.09982	2.3
233.13383	4.8
235.11322	3.2
235.14992	6.3
237.16463	3.7
239.10663	3.4
239.18129	2.4
241.19572	3.8
243.10115	3.5
257.11768	3.9
259.20654	6.2
261.11359	2.4
261.16586	3.2
261.22159	3.1
265.19821	2.9
269.11725	3.4
275.20276	2.3
283.20648	3.6
285.11334	4.7
285.22263	7.7
287.12894	4.4
289.21707	3.1
291.12549	2.5
303.12323	5.6
303.23340	3.2
309.22202	2.5
315.12271	2.7
321.13571	10.3
321.22351	3.6
327.23425	2.5
331.12057	2.7
333.24295	3.6
335.26068	7.6
349.13080	9.3
351.14597	4.0
363.25473	6.3
395.17310	3.1
415.30258	2.7
421.23987	5.1
423.16714	5.5
431.29529	2.5
433.30997	10.3
498.36810	2.6
504.34256	3.0
507.35001	5.8
516.42548	2.7
525.35803	25.4
526.36615	19.3
539.33795	2.4
545.32648	3.1
555.31134	4.6
563.34015	4.7
573.32538	9.2
581.34827	3.6
591.33221	12.2
609.34265	15.4
619.36249	4.1
627.34967	5.1
635.35327	3.4
637.37439	4.3
647.35992	6.2
655.38220	5.7
665.36786	17.4
683.37958	67.7
701.39148	100.0
702.39496	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	702.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04910	0.4
53.03930	0.8
55.01880	3.1
57.03419	1.6
57.35913	0.4
61.02938	2.1
66.19463	0.4
69.03425	5.0
70.33469	0.9
71.01328	0.7
71.04967	0.5
73.02880	0.8
77.03911	0.4
79.05476	0.7
81.03432	3.4
81.83096	0.4
85.02907	17.7
89.03893	0.8
91.03963	1.0
91.05430	0.7
97.02893	6.4
99.00230	0.6
99.00826	10.9
99.04449	1.2
104.34840	0.4
107.04964	13.2
109.02893	4.0
110.91141	0.5
111.04442	0.6
115.03893	0.5
117.01871	5.1
117.03344	0.8
119.04887	0.7
123.04431	10.9
127.03919	5.5
131.04903	0.5
135.04420	46.7
136.05217	6.3
137.02328	1.8
137.05965	1.4
139.03891	1.1
145.02907	0.5
145.03923	0.7
145.04967	7.8
146.49361	0.4
147.04459	0.6
147.08655	0.5
152.06165	0.8
153.07001	6.9
157.06482	1.2
161.06093	0.5
162.07617	0.9
163.03912	11.6
163.05960	2.3
165.01840	0.7
167.08498	0.7
171.08043	1.0
175.03935	0.7
177.05612	0.4
177.07008	1.1
180.08675	1.5
181.04933	5.8
181.06493	15.0
184.05235	0.6
189.05499	0.8
189.07089	0.4
195.08046	1.7
197.06042	0.5
198.06642	0.5
199.07553	13.7
205.06509	9.9
209.06015	5.4
209.07903	0.8
217.08571	0.8
223.07555	11.4
227.07076	9.3
233.06017	11.2
234.06808	0.7
237.05476	1.2
241.08566	0.6
244.07309	1.2
245.08099	100.0
246.08441	1.4
251.07048	31.7
252.07468	0.8
255.06586	1.0
261.05539	5.6
263.07031	0.6
269.08078	26.5
270.08481	0.4
279.06531	53.9
280.06912	1.4
289.04932	2.3
295.05731	0.6
297.07581	64.6
298.07788	0.5
307.06009	15.4
308.06775	1.0
313.07129	0.7
314.07239	0.5
315.08224	0.5
325.07071	73.8
326.07416	1.5
343.08133	34.5
344.08142	0.5
361.09189	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	702.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
54.28485	1.0
55.01864	1.8
55.05521	5.9
55.05730	1.1
57.03428	2.1
57.37746	1.1
61.02905	1.3
62.00535	1.1
67.05510	14.6
69.03439	8.3
69.07069	4.2
70.06568	1.9
71.04996	15.8
71.52433	2.4
79.05489	8.8
81.02988	2.0
81.03422	24.1
81.07066	18.7
83.04987	2.4
83.08632	2.4
85.02900	6.4
85.06533	3.4
86.09672	1.2
91.05485	13.1
93.07056	7.7
95.04987	7.1
95.08601	7.5
97.02892	7.2
97.06524	2.4
97.10161	2.6
99.04444	2.0
105.07058	5.5
107.04928	2.8
107.08569	4.4
109.02881	10.7
109.06512	2.6
109.10129	5.7
111.04422	2.6
115.03880	1.4
115.11089	1.3
117.07020	1.6
119.04953	1.9
119.08557	3.8
121.02827	1.3
121.06499	2.9
121.10161	2.9
123.04436	3.1
123.08097	1.2
123.11684	4.7
125.09634	1.8
127.03909	9.3
131.08536	4.2
133.06442	1.3
133.10155	5.9
135.11667	1.5
137.06009	1.7
147.04416	11.5
147.11720	2.4
149.05942	1.4
149.09604	1.6
151.03891	2.3
151.11188	3.5
153.07022	1.2
155.03386	7.9
159.11609	1.3
163.03882	3.6
163.11223	1.5
165.05466	3.4
165.68875	1.2
167.03323	1.4
169.04984	4.7
171.11642	1.2
175.03902	4.5
175.11040	1.2
177.05457	1.7
179.03407	5.0
181.04968	3.8
187.13275	4.0
193.04979	21.5
197.04453	11.3
205.05006	2.3
207.06604	1.7
209.04333	2.1
211.06026	70.4
213.07584	1.9
221.04425	6.7
223.06102	2.1
231.06512	1.8
235.06099	1.7
235.13327	3.6
249.14905	2.2
277.14377	4.6
295.15460	6.4
301.14194	5.2
303.15930	1.2
313.16614	5.6
319.15436	26.8
321.17023	4.1
325.14359	1.5
343.15387	6.8
361.16425	23.6
375.53122	1.3
377.15796	1.5
379.17557	3.8
409.16748	1.7
421.18134	1.9
427.17468	3.6
429.19162	2.4
445.18472	3.5
469.18317	3.4
487.19705	15.5
505.20752	8.4
523.21814	100.0
524.22009	1.8
525.23297	7.8
555.24176	3.4
702.33374	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	702.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
55.05501	1.0
57.06830	0.6
57.07080	6.2
58.06598	2.5
60.51521	0.4
64.82276	0.4
65.03952	2.8
67.05494	1.3
68.05030	0.5
69.03419	0.7
69.07060	0.8
69.27829	2.3
69.28248	0.8
70.06599	16.3
71.08627	2.6
72.08150	0.7
72.68228	0.3
73.02934	0.4
79.05495	0.8
81.03413	0.8
81.07044	0.8
83.04983	0.3
83.08637	0.4
84.08129	1.0
85.10146	0.3
86.09686	1.4
88.07635	16.3
91.05469	0.9
93.07041	1.1
95.04970	0.6
95.08612	3.6
97.10188	0.5
102.09187	11.9
103.01914	0.4
105.03384	0.5
105.07014	0.8
107.08555	0.7
109.10203	0.5
117.07038	0.6
119.08591	0.8
121.02879	1.6
131.08556	0.4
132.10191	2.2
139.03911	1.1
146.11781	1.9
147.04457	0.7
149.02359	55.4
149.03447	5.4
149.13191	0.5
150.02681	0.5
150.75122	0.3
175.03885	1.7
177.05534	0.7
184.07356	0.5
189.43675	0.4
193.04980	29.6
212.23788	1.2
215.12808	1.8
219.06593	1.6
225.05519	0.9
237.07620	4.2
238.25302	0.7
249.64297	0.4
256.26370	41.5
257.26730	0.6
263.09195	0.6
269.04523	0.5
273.18384	0.5
291.19547	2.1
297.03967	0.8
300.29028	6.2
313.07089	1.3
341.06689	3.2
359.07675	2.9
365.23367	0.9
385.09180	9.6
387.10858	0.5
403.10272	11.1
429.11853	21.2
473.14468	11.4
505.31665	2.8
627.00244	0.4
640.34698	1.1
647.06854	0.4
684.37720	1.1
702.38440	100.0
703.38831	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	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01874	3.8
55.05513	40.0
57.03442	8.8
57.07071	1.6
59.04984	1.4
61.02915	2.1
65.03936	1.0
66.58610	0.6
67.05507	39.3
69.03423	4.1
69.06729	1.1
69.07071	11.2
71.04977	1.4
71.08630	1.3
71.52287	0.8
73.02917	1.5
79.05493	29.6
81.03412	2.3
81.07059	38.0
81.73283	0.6
83.04984	3.4
83.08620	26.3
85.02914	3.5
85.06535	1.9
86.09692	2.5
87.04477	0.7
91.03962	1.1
91.05489	11.8
93.07049	26.6
95.04960	2.6
95.08609	22.6
97.02905	1.6
97.06519	0.8
97.10174	57.2
99.04424	0.9
99.08092	1.0
105.07038	7.8
107.08604	27.1
109.02895	0.7
109.06485	0.9
109.09473	1.0
109.10162	14.7
111.08105	3.3
117.07034	4.7
119.08584	6.8
121.10164	10.3
123.08068	1.0
123.11723	3.7
124.21170	0.7
125.00018	1.6
125.09634	57.0
131.08582	4.5
133.10143	4.8
135.08051	5.6
135.11696	6.5
137.13268	1.8
143.10651	2.4
145.10129	4.7
147.11696	3.5
149.13239	4.9
153.09111	3.9
159.11720	2.8
161.13245	2.9
163.11143	0.7
163.14815	3.8
164.10010	0.7
171.10162	6.0
173.13292	3.7
175.14833	1.2
177.16406	1.0
184.07350	10.1
187.14827	1.9
189.11229	39.3
190.11607	0.8
205.15919	0.8
227.12790	71.1
243.21053	5.5
245.13858	100.0
246.14250	1.3
261.22153	23.2
279.23181	2.6
317.24799	3.1
335.25812	66.4
353.27017	1.4
413.30673	1.6
431.31760	1.6
468.37537	1.0
487.34158	7.1
505.35251	41.0
506.36020	0.9
523.36517	4.4
527.27496	0.8
529.38770	2.4
573.48712	1.0
617.19598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03925	3.4
55.01865	4.2
55.05512	52.8
55.16273	0.8
55.40678	0.8
56.76017	1.1
57.03197	1.1
57.03439	13.0
57.07082	6.4
59.04986	2.0
60.15213	0.8
60.82888	0.8
61.02937	4.9
61.03188	0.8
65.03914	2.5
67.05506	63.2
69.03423	6.7
69.06734	1.2
69.07067	16.8
69.72523	2.5
69.72939	2.5
71.04982	3.0
71.08624	3.0
73.02909	2.4
79.05496	45.5
81.03416	1.9
81.07059	52.6
83.04988	6.0
83.08624	39.5
85.02917	4.7
85.06535	2.6
85.10177	1.4
86.09695	2.8
87.04452	1.4
89.06050	5.2
91.05481	18.9
93.07045	40.6
95.04953	3.5
95.08612	35.6
97.02882	1.9
97.06512	2.5
97.10172	77.7
99.08080	1.6
101.09637	1.7
105.04442	1.0
105.07041	12.3
107.08597	41.8
109.06481	1.9
109.10162	18.4
111.08086	3.2
117.07008	8.3
119.08580	10.2
121.09336	1.4
121.10146	17.9
123.08071	0.9
123.11706	6.1
124.99969	1.6
125.09634	75.7
129.01852	0.8
131.08563	8.0
133.08580	3.0
133.10130	7.6
135.08043	6.9
135.11708	11.2
137.09529	1.0
137.13260	1.5
143.10641	3.2
145.10153	6.3
146.39771	1.1
147.11670	7.0
149.13246	7.0
151.11188	0.9
151.14821	1.0
153.09192	4.3
157.10092	1.3
159.11720	4.3
161.13242	4.5
163.14821	3.6
171.10167	6.7
173.11884	0.9
173.13184	4.3
175.14774	2.0
177.11159	0.9
177.16342	1.2
184.07332	10.3
187.14830	2.7
189.11224	52.8
201.16348	1.6
227.12784	81.3
227.20062	43.4
243.21062	8.0
245.13860	100.0
253.13487	0.9
261.22150	27.9
265.69931	1.0
279.23251	2.8
313.27283	1.7
317.24744	4.5
335.25803	96.9
336.26212	1.8
413.30551	1.4
431.31339	2.1
468.37509	1.6
487.34210	8.5
505.35229	72.5
506.35379	1.8
523.36060	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	703.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01883	2.1
55.05517	35.0
57.03444	3.9
57.07092	5.8
59.05005	2.3
61.02937	1.8
65.03954	1.5
67.05512	33.6
68.25951	1.0
69.03441	17.6
69.07078	38.2
69.63110	7.4
70.06566	1.5
71.05003	11.5
78.07935	1.2
79.05496	20.5
80.40451	1.3
81.03424	12.6
81.07066	100.0
82.07391	1.4
83.04984	6.1
83.08619	12.7
85.02912	7.4
85.06554	5.2
87.04477	1.4
91.05491	17.1
93.07052	43.7
95.04979	19.6
95.08620	55.8
97.02917	7.9
97.06537	7.4
97.10182	47.6
99.04484	2.3
99.08083	3.7
105.07047	28.4
107.04943	2.5
107.08601	35.8
109.02903	5.2
109.06528	7.7
109.10170	41.1
111.04469	1.4
111.08096	5.6
111.11720	5.6
113.09653	1.4
117.07031	3.8
119.08591	23.8
119.09377	2.1
121.02865	1.6
121.06514	4.0
121.10159	34.2
121.11032	1.8
123.04442	1.3
123.08108	6.1
123.11721	53.9
125.09636	12.5
127.03941	8.8
129.07019	2.2
131.04945	1.7
131.08556	8.8
133.10144	14.2
135.08069	2.5
135.11703	23.7
137.09625	3.5
137.13260	8.2
139.11197	11.0
141.12740	3.8
143.08612	1.7
143.10696	15.5
144.09312	1.4
145.04979	2.7
145.06592	1.6
145.10159	9.8
147.07907	1.5
147.11694	24.4
149.02367	3.8
149.09634	3.2
149.13274	9.7
151.03960	1.5
151.11197	3.9
153.12770	8.4
155.10707	2.8
157.10158	3.5
157.12260	6.3
159.11705	12.4
161.13261	10.6
163.03889	2.5
163.11220	7.0
163.14886	3.5
165.09138	1.7
165.12755	6.5
167.03400	10.6
167.10757	2.3
169.10089	1.6
169.12257	4.4
171.10193	4.2
171.11592	2.0
171.13811	2.4
173.09731	1.6
173.13272	6.6
175.11224	1.8
175.14861	3.6
177.12761	3.5
177.16441	3.0
179.03404	1.3
181.12306	3.9
185.04472	36.9
185.13347	1.9
187.13324	14.0
187.14873	4.9
187.79825	1.2
189.11240	9.0
189.16472	2.4
190.16931	1.3
191.14279	1.6
193.04872	1.6
197.04517	5.2
197.13255	2.0
201.16399	3.4
203.12814	4.7
203.18028	1.9
205.15837	1.8
207.13779	1.9
209.04485	2.4
209.15436	3.9
211.06046	5.5
212.06403	2.7
215.18071	1.7
221.19009	1.6
237.18599	1.8
247.16875	1.5
257.22711	5.0
259.20688	1.5
267.21167	2.8
273.22357	1.9
275.23724	12.4
285.22131	7.0
290.20544	1.2
291.23193	7.9
293.24820	9.3
297.13385	5.5
303.23212	75.3
309.24271	5.6
313.16626	1.5
315.14328	3.2
319.15656	2.0
320.16040	1.3
321.24237	29.7
331.17508	9.9
339.25275	4.0
340.34668	1.3
362.16953	1.9
429.26376	1.6
437.28497	1.4
447.27347	4.8
453.28580	11.4
459.27441	2.4
465.28650	13.1
477.28253	1.6
483.29483	6.2
501.30411	2.0
523.21930	2.9
524.22101	7.6
541.35468	2.3
703.34613	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	703.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
53.03943	6.3
53.97994	1.5
55.01876	10.3
55.05518	26.8
57.03444	11.2
57.07070	3.5
59.05008	1.9
61.02915	1.4
64.12798	1.4
65.03938	4.9
67.05508	75.8
69.03425	10.7
69.07076	24.3
69.30896	2.7
69.31287	11.5
71.01363	2.5
71.05001	5.5
76.89445	1.5
77.03938	2.8
79.05498	59.9
81.03418	22.8
81.07059	70.6
83.04997	8.5
83.08620	11.0
85.02924	8.2
85.03386	1.3
85.06537	3.0
91.05483	57.4
93.07048	64.5
93.07642	3.1
95.01336	13.4
95.04973	15.2
95.08614	49.2
97.02892	7.2
97.06551	7.8
97.10173	8.6
97.42008	1.4
99.04515	1.5
99.08080	1.9
101.02425	2.5
103.05472	3.0
105.04536	2.6
105.07035	49.8
107.04954	13.6
107.08598	33.7
109.02897	4.7
109.06521	7.7
109.10168	29.4
111.04455	5.3
111.08105	4.1
113.02412	2.3
115.05444	3.9
117.07023	24.2
119.04935	3.5
119.08588	40.5
121.02878	2.7
121.06518	11.0
121.10151	23.9
123.04413	7.4
123.08090	6.5
123.11723	6.1
125.02399	2.7
125.09655	6.1
127.03921	3.0
128.06233	4.7
129.07024	17.7
131.04918	7.8
131.08569	31.0
133.06462	7.9
133.10136	30.5
135.04446	5.3
135.08095	8.0
135.11681	16.0
137.02338	2.2
137.05989	4.4
137.09636	6.5
137.13292	1.7
139.03915	2.8
139.11214	1.7
141.01845	3.3
141.07013	8.8
142.07790	4.1
143.08568	16.8
145.06508	5.7
145.10130	25.4
146.45909	1.5
147.04414	10.7
147.08032	8.0
147.11694	21.3
149.06004	5.8
149.09570	6.8
149.13251	8.6
151.03931	8.7
151.11185	2.3
153.05467	3.0
155.03497	1.4
155.08557	8.6
156.09319	1.8
157.06531	4.7
157.10144	17.9
159.04414	3.8
159.08087	5.7
159.11691	20.3
161.06009	7.5
161.09618	4.1
161.13254	11.5
163.03859	6.6
163.07564	3.3
163.11238	4.6
163.14850	3.0
165.05580	2.2
165.06987	2.7
165.09189	1.8
166.07794	1.9
167.08591	5.6
168.09274	1.7
169.05051	2.6
169.06461	2.5
169.10103	11.5
171.08084	4.3
171.11684	12.6
173.06020	4.3
173.09645	5.3
173.11765	3.5
173.13301	10.9
175.03981	4.4
175.07579	2.2
175.11214	7.6
175.14844	4.7
177.05486	2.7
177.12756	4.3
179.03461	2.5
179.07103	1.7
179.08569	1.7
179.10672	1.7
181.10114	9.2
183.08127	2.8
183.11684	10.6
185.09625	6.7
185.13228	7.3
187.07562	3.3
187.11221	6.5
187.14870	5.6
189.11275	2.7
189.12839	4.4
189.16406	1.8
191.03461	1.8
191.10596	1.8
191.14334	2.1
193.10176	2.9
193.12276	4.4
195.08102	2.2
195.11736	6.2
195.13730	1.7
197.09653	4.4
197.13358	5.3
199.11197	4.8
199.14868	5.4
201.09169	3.2
201.12869	4.2
201.16469	1.5
203.10684	2.5
203.14378	1.8
205.10503	1.8
205.12352	4.5
207.11853	3.2
207.13724	2.1
209.09662	3.4
209.13306	5.3
211.11310	2.7
211.14877	4.3
213.09177	2.5
213.12875	2.9
215.10782	3.5
215.14369	2.0
217.12410	2.8
219.13789	2.6
221.13402	2.6
223.11227	1.8
223.13217	2.7
225.09244	2.4
225.12798	2.3
227.10725	3.2
227.12700	3.0
229.12279	3.3
231.10089	2.0
231.13651	1.7
233.11751	3.9
237.12906	2.0
237.16501	3.3
241.12297	2.7
241.19553	3.4
243.13937	3.0
243.21106	2.5
245.11607	3.3
253.12227	2.2
255.10268	1.8
257.18958	2.1
259.13293	4.4
259.20633	14.0
261.11261	3.5
261.22092	8.7
263.58740	1.4
269.11679	2.3
273.11435	2.1
273.18573	3.1
275.20294	2.4
277.14328	2.5
277.21756	2.0
279.12393	1.7
279.23267	1.6
285.22241	4.2
287.12881	5.9
289.14413	4.4
291.19592	9.1
297.13455	3.5
297.22156	1.9
303.23297	3.2
305.13971	6.0
307.12140	1.5
307.15646	3.8
315.12341	4.4
315.23297	3.0
323.14984	5.7
333.13373	9.3
333.24307	10.5
335.25943	14.1
351.14432	17.9
353.16043	1.7
355.22751	1.7
369.15637	4.2
371.17273	3.6
407.17242	2.3
417.31924	2.4
425.18130	13.9
427.19617	9.1
435.32413	2.9
463.31979	2.3
487.32272	1.8
515.32397	2.0
521.32281	1.8
527.37378	7.2
529.33386	2.6
539.33453	4.8
547.34131	2.1
555.38129	1.7
557.32733	2.4
559.36121	2.1
565.35461	2.4
575.33746	6.2
583.36353	3.7
593.34424	8.9
595.36627	1.8
611.35742	14.9
613.37781	3.0
623.39685	2.7
625.37317	2.0
629.37006	5.4
631.36993	1.9
639.39148	1.9
641.40381	2.5
649.37866	3.2
657.39972	2.1
667.38208	12.9
685.39392	54.6
686.40186	2.3
703.29553	3.7
703.40472	100.0
704.40802	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	703.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01878	10.0
55.05267	1.8
55.05519	25.9
57.03439	7.2
57.07078	1.7
59.05003	1.2
65.03941	4.7
67.05514	69.5
68.05846	1.0
69.03431	7.6
69.07078	19.6
71.01358	1.5
71.05001	4.1
71.28778	1.8
73.02932	1.6
73.06584	1.0
79.05502	54.1
79.58365	1.0
81.03429	14.7
81.07067	64.0
83.04987	6.2
83.08631	13.7
85.02903	4.7
85.06544	3.7
91.05490	55.6
93.03391	2.1
93.07057	49.8
95.01345	12.5
95.04980	14.5
95.08617	44.6
96.08961	1.5
97.02928	4.1
97.06550	6.7
97.10179	6.3
99.08121	1.1
101.02429	1.3
103.05504	3.1
104.03892	1.2
104.06342	1.2
105.04559	1.2
105.07040	45.0
106.60987	1.1
107.04982	8.7
107.08608	29.3
109.02898	4.5
109.06548	6.8
109.10168	25.3
111.04462	3.3
111.08123	4.5
113.02336	1.5
115.05480	3.9
117.07027	22.4
119.04967	3.2
119.08593	34.3
121.02869	2.4
121.06525	9.0
121.10155	20.6
123.04429	5.1
123.08106	5.3
123.11689	5.0
125.02390	3.8
125.06022	1.3
125.09679	4.2
127.03962	1.9
128.06273	3.8
129.07016	17.3
130.07802	1.5
131.04982	3.6
131.08583	33.6
131.09541	2.0
132.09254	1.1
133.06509	6.9
133.10146	27.2
135.04419	4.8
135.08099	6.8
135.11699	14.0
137.02373	2.1
137.06030	3.5
137.09651	4.7
137.13298	1.5
139.03915	2.4
139.07556	1.1
139.11195	1.6
141.01869	3.0
141.07014	8.3
141.09100	1.0
142.07796	2.9
143.08572	15.2
145.06499	5.8
145.10143	25.7
147.04410	5.0
147.08069	5.5
147.09192	1.7
147.10550	1.5
147.11696	19.6
149.02385	1.1
149.06024	3.0
149.09660	6.2
149.13249	9.2
151.03891	8.6
151.07584	1.9
151.11214	4.3
153.05489	2.6
153.07022	2.7
154.07791	1.6
155.08575	10.8
155.10657	1.2
156.09370	1.4
157.06509	3.4
157.10144	18.3
157.11317	1.6
158.07344	1.4
159.08099	4.0
159.11705	20.4
159.97774	1.0
161.06013	3.8
161.09642	5.2
161.13272	11.1
162.13846	1.0
163.03970	3.3
163.07570	1.4
163.11237	3.5
163.14870	3.1
165.05609	1.8
165.06969	2.4
165.12810	1.1
166.07886	1.3
167.07268	1.3
167.08551	5.4
168.09322	1.1
169.05072	1.2
169.10144	8.5
171.08096	3.5
171.11696	11.5
173.06061	2.9
173.09657	4.5
173.11864	1.6
173.13252	13.4
175.03979	2.4
175.07620	1.5
175.11226	6.4
175.14789	5.0
177.05522	2.5
177.09216	1.4
177.12813	3.0
179.03497	1.2
179.08617	1.6
179.10660	1.1
180.09404	1.5
181.05013	1.3
181.06601	1.0
181.10130	5.8
183.08192	2.2
183.11700	9.7
185.06061	1.3
185.09671	3.7
185.13260	9.4
187.07602	2.6
187.11230	5.0
187.14844	5.4
189.05444	1.9
189.09152	1.6
189.11301	2.0
189.12852	2.7
189.16446	1.1
191.07065	2.0
191.14311	1.2
193.05095	2.0
193.10182	3.4
193.12291	3.2
195.08212	1.5
195.11771	4.6
195.13683	1.3
197.06070	1.5
197.09651	2.7
197.13310	6.4
199.07555	1.5
199.11246	3.6
199.14853	4.5
201.09242	1.3
201.12929	1.1
203.10693	2.0
205.04909	1.3
205.10320	1.2
205.12260	3.0
207.11772	4.0
207.13731	2.5
209.09680	1.3
209.11664	1.1
209.13274	4.8
211.11171	2.0
211.13150	1.4
211.14990	4.3
213.05482	1.4
213.12849	2.4
213.16505	2.9
215.10690	2.5
217.12285	1.9
219.11844	2.1
221.09792	1.6
221.11714	2.5
223.06009	1.1
223.11258	2.5
223.15092	1.9
225.09125	1.8
225.16472	2.4
227.10736	2.6
227.12779	2.0
229.12305	1.7
231.10107	1.3
231.17514	1.5
233.11533	1.2
237.12857	1.1
237.16455	1.9
239.10680	1.6
239.18044	1.8
241.12439	1.6
241.19597	4.3
243.13867	1.4
243.21123	2.6
245.11829	2.2
253.19472	1.2
255.17407	1.2
259.09598	1.4
259.13080	1.5
259.20557	8.3
261.14935	1.6
261.22195	8.3
267.21118	1.1
269.11554	1.8
273.11166	2.0
273.18692	1.7
279.12241	1.3
283.20721	1.6
285.11365	1.4
285.22263	4.1
287.12909	3.7
289.14536	3.6
291.12430	2.1
291.19687	3.2
297.22260	1.5
301.21478	1.9
303.23398	3.4
305.14069	4.0
307.15494	2.2
309.21921	1.2
315.12329	1.6
315.23245	1.4
317.24747	1.3
321.13242	1.4
323.14966	2.8
333.13290	6.8
333.24396	7.3
335.25900	9.8
351.14398	21.6
351.18457	1.8
353.15891	1.2
365.25232	1.4
369.15649	1.7
371.17169	1.5
377.24347	1.2
391.22595	1.3
403.22961	1.1
407.16998	2.4
417.31375	1.7
423.17264	1.0
423.24692	1.3
425.18219	4.4
427.19559	5.1
435.32758	3.8
453.33420	1.6
509.36197	1.3
527.37390	8.9
528.38086	1.5
539.33264	2.2
541.35083	1.3
547.34583	3.0
549.37103	1.0
557.32629	1.6
558.43280	1.2
565.35150	2.8
575.33807	4.6
583.36719	2.6
593.34863	6.7
597.38202	1.4
604.94354	1.3
611.35931	12.3
613.37183	1.6
623.39764	1.9
625.37323	2.5
629.36768	5.3
631.36444	1.5
639.38727	2.9
649.37061	3.0
657.39606	2.5
667.38739	10.5
671.27734	1.8
685.39465	47.8
686.39600	2.5
703.40527	100.0
704.40826	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	703.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05522	11.4
57.03447	2.6
57.07087	6.8
59.04996	3.0
65.03958	1.6
67.05177	2.1
67.05510	27.2
68.21677	1.5
69.03438	7.6
69.06733	2.3
69.07078	33.3
70.06584	2.2
71.04992	5.7
71.52572	2.0
79.05498	13.3
81.07063	100.0
83.04989	1.5
83.06129	1.3
83.08632	10.5
85.02908	10.7
85.06547	9.9
86.09728	2.3
91.05473	8.0
93.07050	33.2
95.04976	2.5
95.08614	66.7
97.02879	5.1
97.06524	5.8
97.10172	5.6
99.08083	1.9
103.26934	1.3
105.07066	8.7
107.08607	34.0
108.08103	2.1
109.02924	1.6
109.10165	43.8
111.04439	2.0
111.08105	20.5
111.11710	5.3
117.03420	2.1
119.08553	7.0
121.10137	16.8
122.09644	1.5
123.11716	69.3
125.05972	2.9
125.09615	3.1
127.03909	2.8
127.11185	2.2
130.04904	1.5
133.10164	7.7
135.04366	1.7
135.11699	17.4
136.07510	1.6
137.13255	19.7
138.09149	5.2
139.11116	2.6
141.12724	3.4
145.02858	6.6
145.10100	2.4
147.04385	2.5
147.11664	7.4
147.40515	1.7
149.13261	23.5
151.03978	1.7
151.11171	8.4
153.05498	7.8
153.12758	10.3
155.14311	5.3
159.11740	3.4
161.13266	5.4
163.03899	4.9
163.14914	7.3
165.12799	6.5
166.08586	1.9
167.03438	3.9
167.14348	2.0
169.12238	5.0
171.13799	6.2
173.13243	1.7
175.14821	4.0
177.05501	17.4
177.16351	2.8
179.28629	1.4
181.12195	2.2
183.13754	3.5
185.04474	9.5
187.13338	8.3
189.16328	3.0
191.17862	1.9
204.06522	3.2
215.17873	2.9
224.76004	1.4
233.18996	2.4
237.18568	2.4
259.24243	2.9
271.24298	9.0
277.25287	10.2
289.25284	34.2
295.26328	9.2
307.26315	95.5
313.27261	2.5
315.10526	4.1
325.27408	37.8
326.12662	1.9
339.10861	5.0
343.28421	11.2
361.09290	2.3
361.29495	8.6
379.91449	1.6
451.30469	1.7
514.22070	2.4
703.37665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4015
Annotation	Isaridin A
Peak:m/z	Relative Intensity
52.03297	0.3
53.03945	1.4
54.67152	0.3
55.01843	1.2
55.05514	3.3
56.04997	0.3
56.05808	0.5
57.03412	0.8
57.07056	0.6
57.16967	0.2
58.02946	0.3
58.06564	0.3
60.27091	0.3
65.03926	0.6
67.05511	12.2
68.05817	0.6
68.65257	0.3
69.03438	3.2
69.07079	3.2
70.06589	3.2
71.01337	0.5
71.04957	1.1
73.02888	0.6
77.03925	0.4
79.05499	10.2
80.05801	0.6
81.03419	5.4
81.07065	10.5
82.07362	0.5
83.04954	1.0
83.08617	1.5
84.08140	2.4
85.02922	3.1
85.06519	0.7
86.06039	0.7
91.05492	8.1
92.05772	0.8
93.07052	10.3
94.07353	0.6
95.01303	0.8
95.04993	1.9
95.08613	6.4
96.08105	0.8
96.08913	0.4
97.02905	2.5
97.06497	0.8
97.10126	0.7
98.09697	3.8
98.20721	0.6
99.04421	1.2
101.02361	0.4
104.06202	0.3
105.04494	0.4
105.07043	4.9
106.07334	0.7
107.04974	1.4
107.08601	5.4
108.08902	0.5
109.02914	1.5
109.06510	1.6
109.10161	3.0
110.09692	0.3
110.10445	0.3
111.04390	0.5
111.08079	0.5
113.02348	0.5
115.05432	0.4
117.07038	2.4
118.07349	0.7
118.28371	0.3
119.04943	0.5
119.08597	3.5
120.08893	0.6
121.06533	1.4
121.10165	3.1
123.04411	0.9
123.08012	0.4
123.11653	0.7
125.09620	0.4
127.03924	0.7
128.06215	0.3
129.06964	1.4
131.04958	0.5
131.08583	3.0
132.08925	0.4
133.06494	0.6
133.10146	2.7
134.09575	0.5
135.08069	1.4
135.11710	2.0
137.09671	0.4
139.03857	0.9
140.10674	0.5
140.21999	0.3
141.06956	0.7
143.08510	0.9
144.09134	0.3
145.06503	1.9
145.10175	2.0
147.04390	1.0
147.08051	0.5
147.11681	1.3
149.05992	0.5
149.09604	0.7
149.13242	0.7
151.03841	0.9
151.26160	0.3
155.03403	5.8
155.08511	0.7
157.10088	0.9
159.08052	0.5
159.11662	1.4
161.05972	1.8
161.13211	1.0
163.03844	0.9
163.07561	5.3
165.05415	1.0
165.46466	0.3
167.03421	0.6
169.01382	0.4
169.04945	1.3
169.06367	0.6
169.10126	0.5
171.07977	0.4
171.11725	0.5
172.12038	0.4
173.05992	3.5
173.09561	0.4
173.13248	0.6
174.13506	0.4
175.03877	0.3
177.05469	0.5
179.03442	2.5
179.07059	0.7
179.08533	0.4
181.04980	1.9
181.08569	0.4
183.06538	0.3
183.08055	0.3
183.11713	0.3
184.07387	0.6
185.13231	0.4
187.07521	1.1
187.14777	0.4
191.07048	10.8
194.11873	0.4
196.03683	0.5
197.04471	10.2
197.13097	0.4
200.10866	0.3
204.10306	1.7
205.04912	0.6
205.08563	1.4
207.06573	0.8
209.04529	0.4
209.08104	3.8
215.07016	0.6
221.04379	0.4
221.08067	0.5
222.11285	5.3
229.46841	0.4
232.07341	0.5
233.08128	4.6
236.12952	0.4
240.12331	30.0
241.12502	0.4
246.11304	2.1
250.08357	1.8
251.09140	4.1
259.20618	0.5
261.22183	0.4
264.12338	3.7
281.12616	0.5
282.13385	52.5
283.13638	0.6
287.12891	0.4
298.65945	0.3
414.21585	0.3
425.18109	0.5
428.20187	0.4
436.63940	0.3
510.36676	0.3
542.34302	0.7
563.39532	0.5
566.36029	0.4
575.49689	0.4
594.35138	0.6
612.36053	0.6
626.37213	0.4
668.38794	1.3
686.39606	3.8
704.40063	100.0
705.40430	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	704.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01870	2.4
55.05514	9.9
57.03440	4.1
57.07076	1.5
59.04993	0.6
60.08179	0.6
61.02916	1.2
62.06073	0.8
63.77789	0.5
65.03936	1.7
67.05507	40.2
69.03420	2.6
69.07076	8.1
70.04253	1.5
71.04998	14.0
73.06536	1.0
79.05498	36.2
81.03420	5.4
81.07062	49.8
83.04985	6.9
83.08621	6.5
85.02896	1.7
85.06546	5.0
86.09718	2.7
87.04437	0.6
91.05485	29.4
92.56856	0.5
93.07046	33.0
94.07359	0.7
95.04977	7.5
95.08608	15.4
97.02882	1.7
97.06527	5.1
97.10178	3.4
99.04544	0.6
99.08083	1.3
105.04544	1.4
105.07037	19.8
107.04982	3.7
107.08599	13.4
109.06521	3.9
109.10160	5.9
110.10402	0.5
111.08076	2.3
117.07034	5.6
118.55230	0.6
119.08582	9.1
121.06409	0.9
121.10125	4.6
123.08050	2.6
123.11739	5.6
125.00003	1.7
125.09621	0.7
127.03947	0.9
128.06252	0.7
129.06996	5.2
130.07828	0.5
131.08583	3.1
133.10139	12.7
133.11099	0.9
135.08162	0.9
135.11725	2.5
143.08574	3.7
143.09537	0.6
145.10156	4.3
147.08086	1.2
147.11694	13.1
147.12813	1.0
149.09644	0.6
149.13263	4.5
151.11162	4.3
152.26337	0.6
159.11691	3.4
161.09627	1.8
161.13258	5.1
163.11256	0.6
166.04492	0.6
169.10158	0.6
169.12202	0.9
171.11697	10.4
177.12791	1.1
179.14380	0.8
183.13795	1.1
184.07356	7.8
187.11545	0.6
187.13318	1.6
189.12804	2.7
189.69638	0.6
195.13855	2.2
203.23320	0.5
207.13808	7.4
217.14357	0.9
225.14850	1.2
234.12660	0.5
251.16451	0.8
253.14500	1.5
257.17349	1.0
268.58072	0.6
269.17438	3.8
273.18600	0.7
275.20087	1.0
281.17474	10.9
301.20102	5.7
395.24451	0.7
403.28012	0.7
431.28195	0.8
445.24484	0.7
449.29019	23.0
450.29587	0.7
457.29593	0.9
463.30475	3.2
475.30566	100.0
476.30954	2.9
507.33173	18.5
542.35663	0.9
543.36395	0.9
575.49725	0.8
619.34564	1.0
651.36938	1.8
704.40942	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	705.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.2
53.03939	0.8
53.42588	0.2
55.01867	1.2
56.26578	0.2
57.03441	1.3
59.05012	0.2
59.27697	0.1
61.02934	3.1
67.01857	1.0
67.05497	0.6
69.03434	6.5
70.70071	0.4
71.05000	1.0
73.02921	1.1
77.03947	0.2
81.03426	3.3
83.01347	1.7
85.02910	24.8
87.04476	1.0
91.03947	1.5
95.04972	1.3
97.02898	7.9
99.04466	2.1
105.03386	0.5
109.02896	2.4
115.03938	0.2
123.04437	3.7
127.02972	0.3
127.03923	5.5
133.02858	0.7
145.04970	8.3
149.02293	0.2
151.03917	6.1
161.02344	0.6
163.03970	0.2
163.05980	0.4
167.03427	0.9
169.04967	9.1
173.25963	0.2
175.03812	0.2
179.03406	13.9
185.04468	7.7
185.18677	0.2
197.04463	100.0
198.04836	1.0
211.50035	0.2
347.09662	0.6
355.16217	0.2
359.09738	13.1
360.10004	0.3
383.83517	0.2
385.41489	0.2
500.45569	0.2
526.47168	0.2
668.48792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82494	1.1
53.03950	2.7
55.01878	2.2
55.05274	1.4
55.05513	19.8
57.03428	3.3
57.07083	6.2
59.04988	1.9
61.02921	2.3
67.05505	30.5
69.03429	15.9
69.07070	40.8
69.35400	8.8
71.04987	4.1
71.08614	2.2
73.02925	1.4
79.05502	19.2
81.03020	1.2
81.03432	8.7
81.07060	100.0
83.04971	4.1
83.08621	12.9
85.02927	6.9
85.06554	8.1
91.05486	13.3
93.07042	39.0
95.04993	6.0
95.08610	77.5
97.02899	8.1
97.06544	8.7
97.10178	21.7
98.20755	1.4
99.04463	1.8
99.08099	2.3
103.05499	1.2
105.07034	17.0
107.08601	46.6
109.02863	3.3
109.06503	2.8
109.10152	30.1
111.04422	1.8
111.08085	12.3
111.11716	7.4
114.09521	1.3
117.07020	2.3
119.08583	17.8
121.06503	1.6
121.09335	2.0
121.10154	27.5
123.04459	1.6
123.08057	2.6
123.11710	74.0
125.09624	4.2
127.03905	9.2
128.06236	1.2
129.07034	2.1
131.08562	4.1
133.06514	1.9
133.10130	10.0
135.08073	1.9
135.11691	15.4
137.09570	1.6
137.13252	17.8
139.03893	2.3
139.11198	14.0
141.09178	1.3
141.12738	5.7
143.08553	2.7
143.10707	2.1
145.04907	1.8
145.10155	6.3
147.11710	13.4
149.02370	2.3
149.09651	1.8
149.13269	39.6
151.11182	3.8
151.14879	1.3
153.12730	6.3
155.03401	1.6
155.08446	1.2
155.14331	1.4
157.10139	2.4
157.12251	9.8
159.11713	7.0
161.13280	8.5
163.03955	1.5
163.11128	2.4
163.14818	6.0
165.12810	3.5
167.03371	7.0
167.14320	1.9
169.12207	6.9
169.23921	1.2
171.11633	1.9
171.13777	3.4
173.09596	1.7
173.13219	5.1
175.14835	4.2
177.12781	1.4
179.03328	1.3
183.13762	1.2
185.04468	31.9
185.09573	1.6
185.13260	1.8
185.15373	1.1
187.11557	1.8
187.13284	14.2
187.14793	1.7
189.16370	3.2
197.04489	4.6
197.13271	1.3
199.14893	1.6
203.10983	1.1
203.12729	5.5
203.17950	2.2
205.15782	1.6
207.17432	2.0
209.04393	1.8
209.15468	1.3
213.16312	2.3
215.18050	1.4
217.14325	2.2
217.19551	1.2
231.17439	2.0
249.18446	1.7
257.15433	1.2
257.22678	1.8
269.22595	3.5
275.23642	4.1
277.25253	4.8
283.15524	2.1
285.22052	1.6
287.23761	8.6
293.24783	10.8
305.24756	58.4
306.25098	1.3
311.15118	1.5
311.25681	2.4
323.25833	20.6
329.15918	2.8
331.17517	18.7
341.26910	1.7
359.25455	1.9
371.26019	1.5
413.26852	2.6
431.27957	2.5
437.28964	6.3
449.29071	14.0
455.29950	2.6
467.30087	11.8
473.31384	1.4
485.30930	2.7
653.89447	1.5
673.26227	1.3
705.32312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01884	8.9
55.05512	27.8
55.11157	1.5
57.03441	8.5
57.07069	5.4
61.02938	1.4
61.64584	1.3
63.34446	1.2
64.58435	1.3
65.03930	4.2
67.05508	72.4
69.03432	10.2
69.07072	26.6
69.67376	1.4
70.69086	3.2
71.01372	1.7
71.04983	6.2
71.08624	1.3
73.02939	1.5
77.03922	1.8
79.05499	51.5
81.03423	18.6
81.07062	77.0
83.04977	6.3
83.08621	13.2
85.02907	8.1
85.06557	4.6
91.05489	47.5
91.05911	0.8
93.07049	57.1
95.01330	9.3
95.04974	11.0
95.08612	56.9
97.02911	6.2
97.06538	12.0
97.10165	6.7
99.08072	2.2
103.05466	2.0
105.04520	2.0
105.07037	52.8
107.04935	9.6
107.08601	34.8
109.02900	5.0
109.06537	6.0
109.10168	20.2
111.04459	3.0
111.08105	2.9
113.02358	1.6
117.07025	26.4
119.04990	2.2
119.08587	43.5
121.06488	8.3
121.10143	27.4
123.04453	3.8
123.08083	5.5
123.11710	9.5
125.02396	1.9
125.05979	1.8
125.09698	2.5
127.03893	3.8
128.06221	4.4
129.01878	1.9
129.05498	2.0
129.06987	13.1
130.07779	2.0
131.08580	38.3
133.06505	4.1
133.10136	34.9
133.11096	2.6
135.04399	1.8
135.08080	5.2
135.11717	14.9
137.05978	2.4
137.09645	4.1
137.13258	2.4
139.03914	2.5
139.11224	2.5
141.01892	2.3
141.07019	5.4
142.07808	3.4
143.08586	18.3
145.06477	2.9
145.10124	37.7
147.08069	4.9
147.11702	19.5
149.09607	4.3
149.13245	10.2
151.07520	1.6
151.11119	1.7
155.08578	10.3
157.10135	18.6
157.11113	1.5
159.08002	3.1
159.11708	27.0
161.06046	2.5
161.09662	4.2
161.13272	12.8
163.07558	1.8
163.11249	5.3
163.14864	2.8
165.12802	1.8
167.08644	3.3
169.10078	8.9
171.11710	18.7
173.09654	3.3
173.13263	17.1
175.11223	3.7
175.14908	3.7
177.12836	5.9
179.08626	2.6
179.14352	3.6
181.10152	5.1
183.08145	1.6
183.11710	10.7
184.07338	3.5
185.09674	1.5
185.13287	9.3
187.11221	3.0
187.14841	6.8
189.12810	2.0
193.05026	1.9
195.11732	6.1
195.13736	2.9
197.13225	8.1
199.11176	2.7
199.14842	4.3
201.12877	1.6
201.16423	1.7
203.14392	3.0
207.13832	4.4
209.13341	2.7
211.14882	5.2
213.16461	3.0
215.14320	1.6
219.13884	2.1
223.14862	2.7
225.12907	2.2
225.16534	2.0
227.18008	1.7
233.15356	2.2
235.13260	1.6
235.17010	2.4
239.18005	2.2
243.13876	2.2
247.20578	2.2
251.14236	1.6
255.17490	1.9
257.19223	2.8
259.20712	3.4
261.14859	2.2
261.22198	4.0
271.20743	2.0
273.18680	1.6
273.21930	1.9
275.20050	14.6
282.13467	4.1
283.13690	2.1
285.22171	3.8
289.14441	4.5
291.15924	2.6
293.13916	2.1
293.17801	1.6
299.23721	2.3
301.21600	1.7
303.23331	4.7
307.15472	4.5
311.14853	2.5
315.23239	1.9
325.16586	2.4
325.24942	1.8
333.13409	2.7
333.24445	2.4
335.14935	5.1
335.25995	4.4
349.23883	8.6
351.23090	2.2
353.16046	5.4
359.25977	2.5
395.21112	1.9
413.21783	6.6
427.19803	3.3
437.34161	10.4
455.35434	4.0
465.33475	2.9
477.33701	1.8
511.38205	6.6
513.34027	3.2
529.38928	100.0
530.39508	7.4
531.34833	3.2
543.36987	14.6
549.35773	6.2
559.33972	2.0
567.36731	3.2
577.35260	4.1
585.38135	2.0
595.37164	6.9
613.37244	15.9
623.39697	3.2
631.38849	4.7
633.37842	4.0
634.52856	1.9
641.40387	2.0
651.39337	5.3
669.39941	8.5
687.41010	40.0
705.41974	84.8
706.42535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25774	1.3
53.03948	6.8
55.01875	8.5
55.05264	2.1
55.05513	27.5
57.03446	10.2
57.07076	5.1
65.03941	5.1
67.05507	71.0
69.03426	7.9
69.06728	2.1
69.07072	24.1
71.04997	6.4
73.02927	1.4
79.05494	52.1
81.03422	18.9
81.07060	73.7
83.05006	7.9
83.08620	13.3
84.63300	1.2
85.02899	5.8
85.06544	3.0
91.04906	2.3
91.05482	52.7
93.07047	56.3
95.01339	7.8
95.04971	14.4
95.08611	47.6
97.02921	5.7
97.06543	8.4
97.10172	6.0
99.04449	1.5
103.05484	2.0
105.07037	52.2
107.04958	7.9
107.08594	32.8
109.02887	3.9
109.06500	6.1
109.10150	23.1
111.04449	1.8
111.08092	5.2
113.02386	2.1
115.05466	2.9
116.06212	1.4
117.07017	20.8
117.07761	2.3
119.08585	42.1
121.06512	8.8
121.08429	1.2
121.10146	26.7
121.64455	1.5
123.04410	2.4
123.08045	6.6
123.11726	8.0
125.09605	1.4
127.03934	2.6
128.06262	3.7
129.01793	1.6
129.05466	1.3
129.07014	13.0
130.07823	2.6
131.04951	1.4
131.08577	45.7
133.06500	2.9
133.10133	32.1
134.47636	1.3
135.04469	1.7
135.08080	5.2
135.11703	16.4
136.96147	1.3
137.06001	4.2
137.09612	4.9
137.13235	1.5
139.03961	1.7
139.11221	1.9
141.01863	4.5
141.06999	5.4
142.07782	1.8
143.08563	20.4
144.09341	2.3
145.06525	2.2
145.10132	37.1
147.04407	2.0
147.08086	4.0
147.11696	25.2
149.06023	2.5
149.09650	4.9
149.13304	6.1
149.48993	1.3
151.07678	1.9
151.11206	3.1
153.06999	1.4
153.12776	1.8
155.03484	1.9
155.06116	1.3
155.08551	9.6
157.06549	1.3
157.10114	20.4
159.08090	3.4
159.11700	28.2
161.06070	1.3
161.09648	3.9
161.13252	11.1
163.07629	2.1
163.11203	5.2
163.14845	2.7
165.12816	2.1
166.07715	1.7
167.08580	2.6
168.09378	1.7
169.10124	10.3
171.08060	2.2
171.11681	15.2
173.04491	2.0
173.05994	1.7
173.09682	3.9
173.13254	19.0
175.07759	1.2
175.11180	2.0
175.14835	5.7
177.03905	1.3
177.05472	1.5
177.12779	4.6
179.08618	2.5
179.14412	1.5
181.10135	5.6
183.08038	1.6
183.11684	8.2
184.07445	2.5
184.86995	1.1
185.09604	1.8
185.13280	12.3
187.11258	3.4
187.14818	9.9
189.12888	2.4
189.16425	2.2
191.14491	1.3
193.04971	1.6
193.10257	1.5
195.11713	4.2
195.13667	2.1
197.04454	1.7
197.09653	2.1
197.13274	5.6
199.11168	2.8
199.14853	6.2
201.12785	2.6
201.16498	2.4
203.14339	1.2
205.15900	1.3
207.11891	2.6
207.13902	6.9
209.11652	2.4
209.13351	3.5
211.14818	3.7
213.12648	1.5
213.16461	2.6
215.14339	2.0
215.18088	1.7
217.15822	1.6
221.13295	2.1
223.14946	2.5
225.12801	2.2
225.16547	2.7
233.15448	2.2
235.16924	1.7
239.18149	1.9
241.19803	1.5
243.17690	1.4
245.19127	2.0
257.19006	1.8
257.22894	1.4
259.20673	4.3
261.14932	2.4
261.18564	1.1
261.22214	4.3
271.20895	1.3
275.12808	1.7
275.20142	8.9
282.13544	2.6
283.20615	1.6
285.22137	5.0
289.14481	5.0
293.13934	2.1
293.21146	1.8
297.22128	1.9
299.23639	2.2
303.23306	3.8
305.13721	1.7
307.15350	8.2
311.14917	1.4
311.23404	1.7
315.23001	1.6
325.16605	3.9
325.25113	1.7
333.13354	3.7
335.14999	3.9
335.25790	6.0
349.24103	2.3
353.16083	6.0
353.24820	1.4
359.25946	2.4
387.54337	1.3
413.21756	1.5
419.33401	3.5
427.19818	3.2
429.21201	1.7
435.32318	1.4
437.34219	11.1
447.32751	1.5
452.09161	1.4
455.35437	3.9
465.33694	1.9
473.36389	2.7
483.34521	1.8
511.38000	6.1
513.33923	2.3
529.38928	100.0
530.39514	7.1
531.34686	2.4
541.33179	2.2
543.36682	10.8
549.35858	3.9
559.34357	2.3
567.36639	2.9
577.35266	3.5
585.37811	2.8
595.36432	8.4
609.32458	1.7
613.37396	14.1
615.38336	2.4
623.39374	3.2
625.41296	1.9
631.38220	3.4
633.38330	4.2
641.40857	2.8
651.39142	6.2
659.40955	1.6
669.40320	7.3
687.41034	41.6
688.40607	1.6
705.41968	80.5
706.41919	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01866	7.8
55.05518	33.0
56.72839	2.1
57.03434	10.0
57.07072	8.1
65.03947	4.0
67.05505	80.5
69.03431	14.0
69.07073	37.5
69.37178	19.9
71.04994	7.7
71.08624	4.9
74.15090	2.0
79.05496	62.5
81.03415	17.9
81.07060	84.0
83.04968	12.6
83.08616	18.2
85.02893	7.4
85.06542	3.5
91.05486	54.6
93.07051	59.6
95.01352	9.7
95.04979	9.8
95.08609	56.1
97.02895	9.0
97.06512	11.6
97.10165	7.4
105.07035	49.1
107.04964	9.0
107.08604	38.1
109.02883	3.3
109.06500	6.6
109.10163	25.4
111.04468	3.6
111.08096	3.9
115.05416	4.1
117.07023	21.3
119.08578	42.3
121.06514	11.0
121.10148	24.9
123.04507	3.2
123.08064	6.6
123.11713	8.6
125.09650	5.1
127.03970	4.0
129.07011	15.4
131.08569	42.8
133.06516	7.9
133.10141	31.4
135.08090	6.9
135.11734	20.3
137.09645	4.4
141.01868	3.7
141.07019	4.0
143.08606	16.3
145.10136	40.1
147.04416	2.4
147.08055	3.9
147.11705	22.0
149.09680	3.5
149.13284	7.2
151.11243	3.7
153.05724	2.3
155.08595	7.8
157.10150	15.6
159.08063	4.0
159.11688	27.7
161.09621	3.0
161.13229	11.7
163.11252	7.4
167.08612	5.2
169.10150	8.0
171.11731	19.7
173.09671	4.4
173.13287	21.2
175.11198	3.6
175.14896	5.0
177.12761	6.2
179.03436	2.8
179.07016	2.2
179.14201	3.9
181.10130	5.4
183.11711	12.1
184.07402	6.0
185.09583	2.8
185.13315	12.2
187.14873	8.1
189.12782	2.9
191.10747	3.1
193.05022	8.9
193.10147	2.6
195.11719	5.3
197.13284	6.7
199.11311	3.0
199.14833	9.1
201.12875	3.0
201.16489	3.0
205.04962	4.4
207.11975	4.2
207.13887	7.6
209.11623	3.8
209.13345	3.6
211.14941	4.1
213.12805	2.7
213.16466	3.3
217.05032	2.5
219.17386	5.2
235.17021	3.3
240.12334	2.9
259.20520	3.1
261.15082	3.8
261.22311	2.7
271.20615	2.8
275.20108	8.0
285.22507	2.9
287.12939	3.8
289.14526	6.4
291.12415	3.6
291.16064	2.8
303.23361	6.2
305.13739	3.9
307.15466	10.0
313.27545	12.1
315.12451	8.7
325.16489	4.2
333.13351	27.4
335.26132	6.0
349.23898	4.4
351.26706	2.9
353.16022	9.8
375.14532	3.2
419.33499	4.0
427.19696	3.9
437.34174	9.1
437.40039	2.4
449.18103	4.9
455.35172	3.4
465.33932	2.7
511.37875	5.3
525.35803	2.8
529.38934	100.0
530.39648	6.7
531.34418	3.7
543.36755	11.1
559.34003	4.6
576.51074	2.9
595.36151	7.3
613.37433	15.3
615.26697	2.8
625.40320	2.7
631.38525	3.9
633.37537	4.2
639.66907	2.6
651.38867	5.1
669.39984	9.2
687.41016	44.7
705.41681	89.5
705.57947	5.1
706.42059	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	705.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03953	10.9
55.01872	4.8
55.05270	1.5
55.05516	25.5
57.03436	6.6
57.07077	5.0
59.04989	1.8
61.02920	1.6
65.03944	7.0
66.04705	1.3
67.05510	91.8
69.03433	22.7
69.06726	1.5
69.07079	19.6
71.01358	1.5
71.04998	64.1
71.08643	1.4
77.03926	2.1
79.05498	69.5
81.03423	59.5
81.07062	100.0
83.04990	14.1
83.08624	12.9
84.93948	0.8
85.02887	6.4
85.06545	8.4
86.09726	1.5
87.04489	2.1
88.09890	1.0
91.05489	63.3
93.07050	68.6
93.52868	0.8
95.04983	13.4
95.08611	39.4
97.02897	17.6
97.06535	11.1
97.10188	3.6
99.04466	6.7
99.08113	3.1
103.03992	1.0
103.05509	1.5
105.04537	3.9
105.07041	36.6
107.04942	4.4
107.08605	36.4
109.02887	10.7
109.06530	4.9
109.10162	16.7
111.04443	8.7
111.08109	4.4
113.06071	1.0
115.05461	2.4
117.07023	13.2
119.08596	18.4
121.06543	1.9
121.10152	22.4
123.04473	1.7
123.08089	1.7
123.11723	13.0
125.06008	1.2
125.09678	1.7
127.03923	9.2
127.07666	0.9
128.06238	1.6
129.05499	2.4
129.07004	4.8
131.04916	1.2
131.08574	19.2
133.06557	1.9
133.10141	28.6
133.11082	1.7
135.04523	1.2
135.08054	3.0
135.11708	15.4
137.05968	1.2
137.09636	1.6
137.13326	0.9
142.07831	1.0
143.08614	2.4
145.06458	1.5
145.10139	9.2
147.08159	1.6
147.11710	11.4
149.05923	0.9
149.09679	2.2
149.13283	14.6
151.11208	10.2
155.08577	3.0
157.06496	1.0
157.10199	4.1
159.08121	1.6
159.11705	15.8
161.13237	5.6
163.03987	1.9
163.11191	1.1
163.14900	1.7
164.02428	0.9
165.12773	3.0
167.14334	1.0
169.10217	2.5
169.12268	2.2
171.06641	1.5
171.08023	1.2
171.11757	3.9
173.04466	16.5
173.13231	4.4
175.11252	3.0
175.14862	2.8
177.12735	9.3
179.14310	1.1
181.10170	1.2
181.12218	1.5
183.06569	2.0
183.11981	1.4
183.13869	8.6
184.07440	3.1
185.13354	2.0
187.03978	3.1
187.13312	13.6
187.14799	1.9
189.12737	1.0
193.04871	1.7
193.12318	2.9
195.12102	1.7
195.13780	9.3
197.13330	1.7
199.14871	1.1
201.13120	1.5
201.14931	6.7
201.16563	1.6
205.04976	7.2
207.11862	0.9
209.13464	1.0
211.13202	1.4
211.15086	1.0
213.12804	1.6
213.14795	1.8
225.14703	1.1
231.17656	1.1
243.15868	1.0
243.21251	2.1
249.14931	1.2
257.17566	2.9
259.20599	2.0
261.22141	6.5
267.16049	2.1
269.17578	2.7
269.55865	1.0
275.20166	2.2
277.14474	1.0
277.21753	1.6
283.19025	1.6
299.23792	1.5
301.21750	1.2
313.27365	4.2
315.12436	1.7
315.23199	1.0
317.24823	2.8
321.17154	2.3
327.18207	1.0
327.23154	1.3
333.13370	5.9
335.25970	6.5
339.18057	9.9
349.27420	8.9
351.23297	2.1
369.24435	4.0
371.20670	1.0
387.25375	1.7
395.20837	3.8
405.26617	1.1
413.21609	1.4
425.26971	1.0
427.23303	6.6
443.28036	3.3
449.18295	2.3
461.29257	2.7
503.37540	5.5
517.38947	10.7
525.35992	1.1
529.39215	2.5
543.36652	5.8
561.41669	6.6
611.39636	1.6
629.40674	1.4
637.41199	1.2
651.39294	1.2
655.42383	1.4
663.51434	1.1
669.43079	1.3
673.43060	10.4
687.42407	4.1
705.45862	96.9
706.46112	3.5
707.44135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.2
51.02386	1.4
51.25168	1.0
53.03954	10.8
55.01878	4.2
55.05268	1.6
55.05516	21.8
57.03445	6.7
57.07075	3.7
59.04997	1.4
60.76110	1.0
65.03955	5.8
67.05508	90.7
69.03429	22.6
69.07072	18.7
71.04996	56.1
71.08636	1.3
71.53051	1.6
75.84645	1.0
77.03891	1.4
79.05496	66.2
81.02693	1.2
81.03423	48.4
81.07060	98.4
83.04984	12.7
83.08624	12.2
85.02913	6.5
85.06542	7.7
86.09688	1.4
87.04484	1.7
91.04904	2.7
91.05485	61.8
93.07047	71.0
95.04973	12.3
95.08614	38.3
97.02901	13.2
97.06523	9.2
97.10161	2.7
99.04478	6.7
99.08114	2.8
103.05506	1.2
105.04558	3.2
105.07038	33.6
107.04993	3.8
107.08598	35.2
107.09296	2.1
109.02872	11.0
109.06524	6.1
109.10161	16.6
109.17762	1.0
111.04458	7.2
111.08109	2.5
113.02393	1.3
113.05998	1.5
115.05508	1.0
116.06293	1.1
117.07029	13.1
119.08585	17.8
121.06535	2.5
121.10162	22.5
123.04446	1.3
123.08121	3.2
123.11707	14.6
125.00058	1.6
125.09628	2.4
127.03941	8.6
129.05521	2.1
129.07039	4.7
131.04936	1.2
131.07697	2.0
131.08591	15.4
133.06500	1.2
133.10135	28.2
133.11098	1.8
135.08101	1.7
135.11714	14.4
137.09727	1.2
143.08618	3.0
145.06546	1.6
145.10147	8.2
147.11714	10.0
149.09645	3.1
149.13257	14.0
151.11162	10.2
151.45912	0.9
155.08569	2.9
157.10194	3.5
159.08096	2.2
159.11702	14.8
161.13297	3.5
163.11147	1.7
163.14803	1.6
165.12819	1.9
167.07028	1.0
169.10165	1.2
169.12262	1.4
171.06578	1.3
171.11708	2.8
173.04498	12.7
173.09758	1.5
173.13303	4.7
175.11292	3.1
175.14864	3.0
177.12752	9.3
183.11746	2.5
183.13826	8.1
184.07307	5.5
185.09724	1.0
185.13240	2.1
187.13304	14.7
187.14822	2.2
189.16400	1.4
193.12303	2.9
195.12106	1.9
195.13786	9.2
197.04443	1.8
201.13275	1.3
201.14771	5.0
204.89236	1.1
213.12935	1.4
213.14864	1.8
225.14671	1.3
236.74808	1.0
241.17944	1.3
243.21191	1.6
257.17429	5.6
259.20706	1.8
261.22076	6.8
265.10858	2.4
267.16040	1.6
267.20770	1.0
269.17551	4.3
274.07446	1.3
283.19055	1.2
301.20392	1.1
317.24875	1.8
321.16891	2.3
323.18887	1.2
335.25851	5.0
339.18024	9.6
345.24490	1.1
346.34982	1.1
349.27380	7.5
351.23154	3.6
362.52917	1.2
369.24429	5.1
387.25439	2.4
395.20929	4.7
405.26376	1.5
427.23718	4.6
443.28085	3.1
461.29138	4.0
501.39615	1.6
503.37476	3.9
515.37854	1.2
517.38867	9.9
529.39154	3.8
561.41467	6.0
576.50720	2.0
627.43414	1.6
629.40387	1.3
661.43298	1.9
673.43054	11.0
687.43878	1.3
705.45782	100.0
706.45923	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	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01868	3.9
55.05519	13.4
57.03439	7.4
57.45074	1.0
59.04984	1.2
61.02932	2.6
66.17849	1.1
67.05510	48.5
69.03426	3.5
69.07076	11.4
69.27612	5.4
69.28036	3.6
70.06596	2.6
70.71021	1.1
71.04999	20.9
72.08206	1.5
73.02913	1.1
79.05499	31.6
80.05831	1.2
80.70982	0.9
81.03436	7.9
81.07062	70.7
82.07407	1.2
83.04973	3.7
83.08623	12.5
84.08117	1.0
85.02900	3.3
85.06551	7.3
86.09708	1.6
91.03968	1.5
91.05489	23.8
93.07051	39.9
95.04966	8.0
95.08614	35.4
95.09116	0.8
95.81627	1.1
97.02903	6.4
97.06544	7.3
97.10162	3.7
99.04465	4.6
100.44485	1.1
101.01048	1.0
105.07037	16.7
107.04967	9.9
107.08600	33.2
108.08929	1.4
109.06522	3.7
109.10161	9.1
111.04443	1.9
111.08086	3.2
113.06047	1.2
116.49509	1.1
117.07021	12.3
119.08604	13.3
121.06509	5.3
121.10151	17.4
123.08045	1.3
123.11714	9.8
125.05985	3.5
125.09615	2.1
129.07002	2.2
131.08572	4.8
133.10132	15.9
135.08066	2.7
135.11707	51.1
139.07576	1.8
145.10129	28.0
147.08102	1.1
147.11688	1.7
149.13272	5.9
151.11185	7.4
153.12761	1.6
159.11720	5.9
163.11194	67.6
169.12288	1.1
177.12819	2.3
178.76627	1.0
180.56067	1.0
181.12245	14.5
183.13869	2.6
184.07390	1.5
187.13309	2.4
195.13821	2.9
201.14938	1.3
209.11742	1.6
211.13206	1.4
225.12770	1.2
225.14822	4.3
227.12798	73.6
229.14404	1.2
251.16458	2.3
257.17526	2.2
267.15903	2.1
269.17551	6.7
275.20007	1.8
283.15436	26.2
301.20114	18.5
306.91272	1.2
349.23993	1.4
364.06021	1.1
409.25949	1.3
451.26938	76.4
452.27362	2.2
455.99771	1.2
459.27347	3.6
465.28543	8.6
477.28525	100.0
478.28754	3.1
495.29520	1.1
509.31165	70.3
544.37006	3.4
706.41205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3768
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
52.40083	1.0
55.05503	1.9
64.99418	0.9
67.05507	5.5
69.03432	2.0
69.07074	3.2
69.31326	8.1
71.23251	0.9
73.50166	0.9
76.89002	0.9
79.05487	3.4
81.03436	1.5
81.07063	5.6
83.08614	1.0
86.09718	3.4
87.04466	5.0
91.05484	3.1
93.07044	3.0
95.04989	1.2
95.08613	3.8
105.07013	2.8
107.08590	2.2
121.10130	1.4
125.00016	2.7
129.10202	1.0
135.08032	1.3
135.11693	1.2
145.10173	1.2
159.11748	1.1
184.07349	12.1
217.02339	1.1
351.14838	1.1
535.36499	2.9
545.38385	1.3
689.43103	1.9
707.37616	100.0
708.37878	3.7
708.99750	1.0
739.82520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33838	1.7
53.03947	9.3
55.01865	6.0
55.05513	33.0
56.71188	1.8
57.03443	17.3
57.07071	6.1
58.08139	2.0
60.08172	2.1
65.03948	4.4
67.05510	78.4
69.03432	25.2
69.07072	30.9
71.04980	7.3
71.08645	2.5
79.05499	59.3
80.28842	1.7
81.03423	100.0
81.07059	78.9
83.04988	36.4
83.08625	32.0
85.02914	20.9
85.06573	4.1
86.09740	10.0
87.04465	6.2
91.05490	54.9
93.07050	61.4
95.01308	2.3
95.04978	33.0
95.08611	51.7
97.02904	17.6
97.06538	9.0
97.10179	9.3
99.04451	5.7
99.08125	3.7
105.07032	48.1
107.04962	11.0
107.08596	38.1
109.02863	10.2
109.06557	10.0
109.10159	25.2
111.04434	18.5
111.08102	14.0
113.64271	1.8
115.05524	2.9
117.07012	15.1
119.08588	42.5
121.06507	7.9
121.10142	32.2
123.08061	4.5
123.11683	7.8
124.99987	7.8
125.09637	5.3
127.03892	8.1
128.06256	3.0
129.05499	7.8
129.07010	19.2
131.08589	28.0
133.06503	7.5
133.10135	27.5
135.08081	4.5
135.11713	19.9
137.09630	5.6
141.06993	2.9
142.07758	2.5
142.30211	1.8
143.08557	10.1
145.06421	2.8
145.10135	18.3
147.04451	3.3
147.08049	6.9
147.11696	24.6
149.09659	9.8
149.13274	5.9
151.11243	3.1
153.12721	5.6
155.08533	3.2
157.10156	18.1
159.11653	12.2
161.09641	4.5
161.13245	5.1
163.11205	7.1
163.14844	3.1
165.12799	4.3
167.08571	2.3
169.10136	4.1
169.81555	2.0
171.08037	2.5
171.11708	6.9
173.09686	3.5
173.13261	9.6
175.11163	15.4
175.14871	2.4
177.12811	2.8
181.10086	2.0
181.12248	6.4
183.11676	3.6
184.07356	31.7
185.07692	4.8
185.13219	6.2
187.14777	3.7
189.12817	2.7
191.10674	5.7
193.12254	41.3
195.11626	3.2
195.13850	2.7
197.13266	2.9
199.11217	3.8
199.14781	4.7
201.16452	2.6
211.13290	62.2
227.12788	12.1
229.14331	5.5
249.15070	2.7
259.20340	1.9
261.22076	9.1
267.16013	18.7
271.20792	2.2
273.22086	2.7
283.15527	5.9
285.17017	28.8
291.12314	4.3
301.21591	3.9
303.23337	2.7
317.13733	3.1
317.24710	1.8
333.24005	2.4
335.25848	34.3
337.27292	7.0
341.24619	2.2
351.23196	3.6
355.17682	3.6
369.24149	11.3
387.25168	7.4
405.26410	3.8
411.20233	2.5
427.19583	2.6
429.21252	15.1
435.32880	3.3
443.27795	3.1
453.33856	2.8
461.28967	6.2
479.29868	4.9
489.10062	2.4
527.37286	15.2
545.38452	60.3
546.38098	2.3
630.98956	2.3
635.39801	3.3
641.40601	2.3
653.40552	14.4
671.41589	16.0
689.42645	36.1
707.36292	6.7
707.45111	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
54.67610	1.6
55.01878	6.8
55.05273	2.3
55.05518	28.4
57.03442	14.4
57.07076	5.2
58.86136	1.7
60.08160	5.5
65.03938	4.3
67.05508	74.3
67.84589	1.4
69.03435	20.0
69.07066	23.8
71.05005	9.0
71.07357	3.4
79.05497	47.4
79.95939	1.6
81.03421	85.7
81.07063	72.9
83.04987	35.2
83.08627	26.5
85.02910	22.3
85.06524	2.0
86.09709	30.2
87.04470	6.3
87.10033	4.8
91.05487	44.7
93.07052	53.4
95.04975	26.8
95.08614	44.4
97.02902	21.7
97.06538	7.5
97.10179	8.7
98.98486	4.6
99.04437	5.0
99.08054	2.4
104.10752	2.0
105.04557	2.1
105.07036	32.8
107.04940	10.4
107.08598	30.4
109.02897	9.9
109.06524	9.0
109.10166	24.3
109.69647	1.8
111.04456	15.1
111.08093	12.2
112.21590	1.7
113.06027	3.3
115.05444	4.0
117.07026	11.5
119.08596	27.0
121.06519	4.6
121.10148	21.1
123.08049	5.6
123.11723	6.6
125.00014	23.5
125.09649	5.7
126.00381	2.2
127.03912	6.5
129.05473	6.8
129.06970	12.2
131.08582	21.7
133.06512	3.1
133.10123	17.9
135.08075	2.7
135.11716	12.3
137.09656	2.9
137.13268	1.8
142.07780	2.8
143.08563	6.0
145.06499	3.0
145.10133	12.6
147.08075	4.5
147.11702	20.2
149.09608	5.6
149.13266	4.7
153.12750	4.3
155.08572	3.6
157.06543	2.1
157.10170	13.8
159.11707	6.3
161.09575	1.9
161.13264	3.8
161.98427	1.5
163.11172	6.9
163.14850	2.5
165.12749	3.3
169.10114	2.3
171.11609	3.6
173.13287	6.2
175.11211	12.9
175.14864	3.8
181.12291	4.2
183.11847	3.9
184.07355	100.0
185.07700	17.3
185.13313	2.7
187.14891	2.2
189.12790	1.8
191.10699	4.4
193.12250	41.5
195.11823	2.5
197.04584	1.4
197.13245	2.2
202.81227	1.7
207.13905	1.9
211.13300	54.6
225.73166	1.7
227.12697	9.0
229.14313	4.3
233.23241	1.7
243.20995	2.6
249.14816	2.2
260.03183	1.6
261.22235	9.2
267.15936	15.7
275.20001	1.7
277.21622	3.3
283.15369	3.8
285.16983	18.6
285.22073	2.1
317.24609	2.0
335.14294	1.9
335.25815	54.0
337.27472	4.7
351.22989	3.1
355.17444	3.9
368.07242	1.5
369.24393	4.5
387.25500	3.0
427.19550	3.2
429.21228	11.2
443.28198	2.1
461.28827	3.1
479.29803	2.3
527.37488	6.8
535.35413	2.0
545.38397	62.6
546.38507	2.9
653.40448	4.0
654.41742	1.8
671.41193	5.0
689.42731	30.9
707.46826	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.8
53.03932	3.5
55.01633	0.9
55.01874	9.6
55.05512	14.4
57.03196	1.2
57.03442	14.9
57.07068	1.9
58.62788	0.8
59.04984	1.9
61.02920	2.1
63.32525	0.7
65.03915	2.3
67.05506	35.0
69.03431	4.9
69.07078	9.6
70.18768	0.8
70.93292	0.8
71.01335	1.3
71.04993	8.6
73.02937	1.0
79.05495	30.0
81.03421	61.1
81.07063	35.2
83.04983	20.0
83.08617	19.3
84.08152	1.2
85.02914	7.2
85.06535	3.4
87.04443	0.9
91.03934	2.2
91.05481	26.7
93.07045	39.1
93.07639	1.9
94.07416	1.0
95.04974	37.3
95.08617	15.0
97.02924	3.8
97.06533	12.5
97.10171	6.7
98.20716	1.9
99.08054	1.4
105.07037	16.7
107.04964	9.0
107.08601	23.7
109.02903	1.2
109.06515	4.7
109.10157	9.4
111.04415	2.5
111.08086	10.1
113.06004	1.8
115.05437	1.7
117.07040	7.2
119.08585	14.6
121.06538	4.0
121.10145	13.5
123.08050	3.0
123.11738	3.7
125.05990	1.5
125.09615	3.1
127.03984	1.3
128.06206	0.8
129.06998	8.1
131.07727	1.2
131.08586	13.6
133.06499	2.8
133.10132	10.7
135.08035	2.5
135.11696	29.3
137.05963	1.1
137.09633	2.0
142.07784	1.9
143.08557	1.8
145.10112	9.0
147.08061	4.5
147.11681	11.6
149.09644	6.5
149.13231	1.7
151.11232	1.9
153.12755	12.6
157.10135	11.5
159.11742	4.5
161.09659	1.1
163.09904	1.0
163.11197	11.3
165.12744	2.2
171.08000	1.1
171.11772	1.3
173.04459	0.9
173.09628	1.0
173.13275	1.3
175.11182	10.9
177.12729	2.6
181.12280	9.8
184.07346	2.3
187.11217	4.2
187.12881	0.8
189.11234	1.0
191.10674	1.1
193.12251	22.6
195.13687	1.6
199.13335	1.7
203.14346	0.9
205.12206	4.6
207.13805	1.0
211.13322	8.0
213.12910	0.9
219.13773	1.0
223.13283	6.0
227.12772	2.8
228.99789	0.9
229.14284	3.0
249.14767	1.5
255.15904	45.2
261.14609	1.1
267.15921	66.7
268.16321	1.2
269.17511	5.5
279.15765	1.4
281.17480	0.9
283.15378	2.9
285.16989	5.9
301.16812	0.9
301.20102	2.8
331.17755	1.4
337.21655	1.3
345.24225	1.0
349.23608	2.1
352.12222	0.8
355.22699	6.1
373.19443	1.6
373.23734	17.4
391.24646	3.4
421.25830	4.7
435.27350	5.0
439.26807	2.3
447.27438	100.0
448.27585	1.3
449.28818	1.3
453.28714	4.3
461.29092	12.7
465.28482	44.9
475.27350	1.3
479.30035	7.4
493.27258	7.5
511.28708	4.5
511.32718	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	708.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03933	3.0
55.01875	2.4
55.05515	7.9
57.03442	11.3
57.07080	0.9
61.02916	1.3
65.03952	0.8
67.05508	34.0
69.03432	2.0
69.07072	8.7
70.24102	2.4
71.04995	11.6
73.02928	1.2
78.78783	0.8
79.05495	21.5
81.02716	1.1
81.02914	1.1
81.03420	52.4
81.07058	52.6
83.04978	7.9
83.08623	21.4
83.09122	1.1
85.02915	5.9
85.06551	4.4
91.03972	1.0
91.05481	23.1
93.07048	25.2
95.04971	20.3
95.08604	10.5
97.02888	2.7
97.06528	5.9
97.10172	2.7
99.08083	1.8
103.05500	0.8
105.04514	0.7
105.07039	13.7
107.04957	5.4
107.08600	16.9
109.06521	4.5
109.10164	4.9
111.04491	1.4
111.08089	8.1
113.06052	1.0
117.07025	5.8
119.08588	12.3
121.06514	3.2
121.10145	10.1
123.08077	1.2
123.11719	8.2
125.09637	2.2
127.03970	0.8
129.07010	6.9
131.08569	10.8
132.58119	0.7
133.06485	2.4
133.10132	16.0
133.11105	1.2
135.08063	2.1
135.11719	5.6
137.09650	1.3
139.11142	0.8
142.07803	1.7
145.06444	1.6
145.10144	1.7
147.08035	3.3
147.11684	9.0
149.09596	5.1
149.13280	7.4
151.11223	2.8
153.09099	0.8
157.10130	10.2
157.11325	1.0
159.11697	5.0
163.11244	1.7
165.12788	2.4
175.11197	10.7
177.12770	3.5
185.13217	0.8
187.13297	2.0
193.12247	20.4
195.13823	5.9
205.12361	0.8
211.13295	10.5
249.14789	0.9
257.17682	1.0
267.15921	58.3
268.16327	1.0
269.17487	28.4
269.27960	0.8
285.16946	5.4
301.20139	5.4
311.48654	0.7
327.68979	0.8
334.80472	0.8
349.23697	0.9
351.23099	1.8
369.24478	2.1
387.25284	1.2
435.27353	4.5
443.27798	8.4
453.28452	21.4
461.28998	100.0
462.29233	2.2
467.30173	2.9
470.52676	0.7
479.29971	26.5
493.32153	1.2
511.32712	31.2
512.33331	1.1
557.31238	1.3
587.32117	1.4
605.33081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01863	1.7
55.05519	6.5
57.03156	0.5
57.03439	7.9
57.07070	1.3
59.05003	0.5
61.02924	1.4
65.03941	1.1
67.05510	24.8
69.03424	1.0
69.07071	6.8
69.94337	2.2
71.05000	3.3
73.02916	0.8
79.05497	16.6
81.03425	40.0
81.07062	33.5
83.04990	3.9
83.08154	0.9
83.08624	14.3
85.02908	1.9
85.06536	2.4
91.05486	14.2
93.07052	20.6
95.04979	11.7
95.08614	7.8
97.02839	1.0
97.06535	4.6
97.10170	1.7
98.20819	0.5
99.08093	1.8
105.07037	7.9
107.04935	2.7
107.08596	12.0
109.06544	2.6
109.07179	0.5
109.10159	2.0
111.04452	0.9
111.08081	6.9
115.02062	0.7
115.05465	0.9
117.07014	2.8
119.05019	0.8
119.08590	7.3
121.06519	2.0
121.09329	0.8
121.10152	9.4
123.08076	1.2
123.11699	2.4
125.09680	1.4
128.06197	0.5
129.06996	5.3
131.08569	6.9
133.06511	2.1
133.10147	6.6
135.08052	1.5
135.11722	3.2
137.09622	1.0
142.07822	1.5
145.06522	0.8
145.10132	1.5
147.08023	1.6
147.11691	3.9
149.09622	2.6
149.13272	9.8
151.11223	1.5
157.10129	5.5
159.11716	4.9
163.11229	0.8
165.12772	0.9
175.11221	5.2
177.12750	1.9
193.12260	14.0
195.13824	4.1
207.13739	0.5
211.13243	2.8
217.15915	0.6
246.84926	0.5
249.14819	1.0
267.15936	44.7
268.16342	0.9
269.17505	35.6
285.16934	1.0
301.14304	0.5
301.20255	0.9
349.23874	0.6
351.23239	0.9
369.24280	0.9
387.25177	0.8
417.26358	0.9
435.27313	4.0
443.27942	3.7
453.28580	4.7
461.29019	100.0
462.29269	3.0
467.30588	0.6
479.30063	6.6
493.26129	0.8
503.30383	1.4
508.11157	0.5
511.32706	7.6
587.31897	1.0
605.33832	0.6
710.84503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01870	0.4
55.05518	1.6
57.03429	0.4
57.07059	0.3
65.03960	0.2
67.05511	4.5
68.99805	0.4
69.03432	1.1
69.07076	1.2
69.66692	0.4
69.67100	0.4
71.05029	0.3
73.02915	0.1
79.05498	4.2
80.96557	0.1
81.03406	1.2
81.07064	5.3
83.04987	0.5
83.08612	0.5
85.02908	1.3
91.04921	0.1
91.05487	2.9
93.07049	5.1
95.04975	0.6
95.08614	3.9
97.02891	0.8
97.06510	0.3
97.10174	0.4
99.04467	0.5
99.08067	0.2
103.05497	0.2
105.03365	0.3
105.07041	2.1
107.04964	0.4
107.08605	2.6
109.02880	0.5
109.06523	0.4
109.10168	1.6
111.00795	0.6
111.04445	0.2
117.07004	1.0
119.08592	1.8
121.02865	2.7
121.06529	0.2
121.10161	2.7
123.08057	0.2
123.11719	0.5
125.04115	0.1
127.03921	0.5
129.07016	0.6
131.08563	1.3
133.02852	0.4
133.06557	0.2
133.10135	1.1
135.08055	0.2
135.11710	1.6
137.02318	0.8
143.08563	0.5
145.05013	0.2
145.06494	0.4
145.10106	1.1
147.04369	0.5
147.08151	0.2
147.11662	1.0
149.13289	0.9
153.01837	3.6
157.06537	0.4
157.10139	0.2
159.11700	0.7
161.13269	0.5
163.14835	0.3
165.01849	1.7
169.10153	0.2
171.04436	0.4
173.04468	0.2
173.13321	1.0
175.14995	0.2
183.02878	0.7
185.06029	0.5
187.14827	0.2
193.12292	0.2
197.05951	0.2
199.14816	0.1
213.05453	1.5
231.06523	0.6
241.04918	0.9
243.21112	0.4
258.05203	1.1
259.06006	0.3
259.20587	0.3
261.22186	1.7
287.05508	100.0
288.05872	1.7
333.13074	0.2
335.25983	0.3
356.04654	0.2
369.24249	0.4
387.25256	0.3
405.25864	0.2
503.37408	0.3
529.38708	0.2
547.39935	0.2
550.01953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01864	3.2
55.05272	1.6
55.05515	22.3
57.03444	11.8
57.07060	3.8
59.04992	1.2
61.02893	1.2
63.15446	1.0
65.03940	2.8
67.05508	73.7
69.03439	11.7
69.07072	19.4
69.36650	5.6
69.37071	2.8
71.04991	9.3
71.08633	2.5
71.19634	1.1
73.02918	2.4
75.45694	0.9
79.05499	34.9
81.03420	25.6
81.03857	0.6
81.07058	100.0
81.96113	1.1
83.04985	14.3
83.08620	13.3
85.02885	4.4
85.06562	7.8
91.05488	27.6
93.07049	43.6
93.07638	2.2
95.04973	5.5
95.08612	30.9
97.02898	8.8
97.06526	4.7
97.10155	4.8
98.20746	2.1
98.98478	2.0
99.04450	4.2
99.08078	2.7
105.04485	1.3
105.07031	17.3
107.04945	2.2
107.08603	22.9
109.02869	2.2
109.06519	2.9
109.09476	1.2
109.10164	15.4
111.04451	5.8
111.08086	2.2
111.11718	1.4
114.27396	1.0
117.07021	8.0
119.08576	12.2
121.10142	16.3
123.07996	1.4
123.11700	12.2
125.09594	1.1
127.03932	5.4
127.07535	1.2
128.06128	1.2
129.05493	7.3
129.07005	1.1
131.08585	11.3
133.10135	13.6
135.08124	1.5
135.11685	11.2
137.13351	1.1
139.07489	1.3
139.11140	1.1
143.08553	2.1
145.10152	5.9
147.08022	1.5
147.11726	6.7
147.42439	1.2
149.09567	2.0
149.13268	10.1
151.11198	4.4
157.10117	2.3
159.11691	12.7
161.13269	3.4
163.14845	1.6
165.12688	1.8
169.10030	1.5
169.12265	1.6
171.06601	1.5
171.11783	1.6
173.04443	11.4
173.13295	1.8
175.06096	1.9
175.14854	1.4
177.12775	6.0
179.54800	1.1
185.13145	1.3
187.13316	9.6
187.14810	1.6
189.07545	2.1
195.12076	1.6
195.13765	7.7
209.11728	4.4
213.14714	2.0
241.14470	1.7
243.15939	34.0
243.21155	3.5
261.22150	9.1
269.17477	13.0
271.69263	1.2
287.18542	3.3
306.26721	1.1
311.25769	1.5
317.24677	1.4
335.25803	42.9
336.25912	1.2
337.27380	1.4
339.18011	3.0
369.24088	1.4
387.25641	1.2
387.93970	1.0
411.31979	1.1
413.21725	6.0
413.26498	1.0
431.22772	10.6
465.35440	1.1
503.37354	48.3
504.37338	1.2
519.36597	4.7
521.38470	1.7
529.38995	14.6
530.38422	1.5
537.37787	9.7
547.39850	8.0
597.48059	1.4
673.42743	5.4
691.44104	9.0
698.05127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01873	2.3
55.05266	1.6
55.05513	20.0
57.03441	13.3
57.07073	4.9
65.03937	2.8
67.05509	78.6
69.03437	13.0
69.03788	1.9
69.07073	17.7
71.05002	9.1
71.08614	1.2
72.37856	1.0
73.02915	1.6
77.03929	1.5
79.05497	37.2
81.03424	22.2
81.07062	100.0
83.04987	14.2
83.08616	10.8
85.02899	4.3
85.06541	7.1
91.05491	25.5
93.07050	43.9
93.49416	1.0
94.07417	1.3
95.04974	5.7
95.08611	34.7
97.02905	7.2
97.06539	6.8
97.10162	5.4
99.04459	3.6
99.08093	2.6
103.03925	1.4
105.04536	1.9
105.07030	17.1
107.04945	3.4
107.08608	23.6
109.02853	5.3
109.06512	2.8
109.10162	14.2
111.04445	5.1
111.08097	3.1
117.07023	7.0
119.08584	10.4
121.06541	1.7
121.10155	13.8
123.08082	1.9
123.11723	11.5
125.09595	2.1
127.03917	3.8
129.05472	9.3
129.06990	2.0
130.56900	0.9
131.08569	10.2
133.10132	17.3
135.08061	1.2
135.11690	12.6
135.43037	0.9
137.13226	1.3
139.11165	1.7
140.45332	1.0
143.08580	1.5
145.10114	7.0
146.89532	1.0
147.11699	7.0
148.57373	0.9
149.13280	11.1
151.11171	2.9
155.08548	1.3
157.10162	2.1
159.11708	9.6
161.13258	2.3
163.11240	1.7
163.14822	2.2
171.11734	1.6
171.60713	1.0
173.04469	12.8
173.13249	3.5
175.06068	1.4
175.14874	1.2
177.12726	6.0
179.14380	1.7
184.07272	1.3
187.13298	6.6
187.14822	2.2
189.07608	1.1
193.12292	1.3
195.13797	6.1
209.11763	3.5
213.12885	1.2
213.14885	2.2
241.14357	2.5
243.13452	1.8
243.15924	32.3
243.21225	2.3
257.96841	1.0
259.20654	1.4
261.22104	10.0
269.17477	16.1
287.18585	3.3
317.24994	1.3
335.25818	60.6
336.26099	1.5
339.18030	3.2
369.24637	1.3
388.27435	1.1
413.21918	6.4
431.22852	7.7
465.35999	1.8
503.37360	57.3
504.37430	2.4
519.36945	3.6
521.37805	1.1
529.38879	15.4
530.39209	1.3
537.37836	7.9
545.37738	1.1
547.39880	10.9
597.48523	1.6
655.41583	1.7
673.42847	4.1
691.44232	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	709.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01854	3.4
55.05281	2.1
55.05523	27.8
57.03434	7.4
57.07080	4.0
63.61096	2.0
65.03941	4.0
67.05514	100.0
67.70433	1.9
69.03439	11.1
69.07082	23.8
71.05008	20.1
71.08607	2.3
79.05076	3.0
79.05506	43.9
81.03082	2.3
81.03439	24.5
81.07072	51.4
81.35111	2.1
83.04989	15.0
83.08627	13.2
85.02912	4.1
85.06561	4.2
86.09716	3.8
86.19753	1.8
91.05488	35.6
93.07058	55.4
94.77018	1.6
95.04969	8.8
95.08069	2.8
95.08621	37.9
97.02905	7.0
97.06551	5.8
97.10186	5.5
98.98418	2.8
99.04456	3.5
105.04533	1.9
105.07043	17.3
107.04951	4.6
107.08604	23.8
109.06551	4.0
109.10173	58.6
110.19765	1.7
111.04453	6.7
111.08072	4.9
117.07032	5.7
117.21601	2.1
119.07903	2.4
119.08604	22.0
121.06478	3.9
121.10160	22.2
121.57078	1.9
123.11694	3.6
125.09710	2.7
127.03938	3.2
129.05467	6.7
129.06990	2.5
131.08607	12.2
133.06474	2.3
133.10173	11.6
135.07964	2.1
135.11717	24.1
137.09625	7.1
143.08539	2.9
143.12852	1.9
145.10127	12.5
147.11674	7.3
149.13297	3.0
151.11118	3.0
155.10718	2.3
157.10158	4.2
159.11690	5.9
161.09657	2.6
161.13251	5.1
163.11166	8.3
169.86612	2.0
173.04442	9.0
173.11722	10.9
173.13161	3.9
181.12192	3.7
183.11710	2.4
184.07355	11.5
187.13358	3.7
189.16495	2.0
229.14296	4.6
255.15906	8.4
255.23346	2.7
261.22226	2.9
287.18420	4.5
311.25858	2.5
317.24698	1.9
329.95642	1.9
335.25769	33.0
399.20041	3.7
431.22754	5.3
489.35809	52.8
491.37009	5.9
503.37204	4.3
515.37366	14.0
519.36627	3.9
537.37805	12.3
547.40088	48.7
571.39001	2.1
611.47150	2.4
659.41077	4.3
691.44263	15.2
709.34283	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	710.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03953	1.9
55.01881	1.1
55.05523	8.7
57.03196	0.8
57.03444	8.6
57.07077	1.5
61.02918	1.3
64.41426	0.7
65.03938	2.9
67.05512	51.7
67.52747	0.7
69.03410	1.7
69.07073	9.0
70.76878	1.6
70.77224	1.2
71.04998	2.2
79.05500	27.0
79.05959	1.5
81.03426	1.0
81.07066	33.2
83.04987	2.1
83.08637	4.1
85.02895	1.8
85.06541	1.4
85.11572	0.7
91.05491	77.0
92.05836	1.2
93.07054	26.8
95.04964	3.0
95.08615	26.9
97.06571	0.9
97.10176	1.8
105.04578	0.8
105.07045	31.8
107.04939	1.1
107.08603	15.9
109.06543	1.6
109.10178	10.6
111.08070	0.8
117.07034	5.2
119.03393	0.9
119.08592	11.1
121.10146	12.4
123.08092	1.0
123.11690	3.6
128.06245	2.0
131.08569	6.7
133.10146	88.3
135.11713	8.4
137.09621	0.9
137.13200	0.8
143.08556	5.6
145.10120	3.0
147.11687	2.9
149.13284	2.8
151.11221	4.6
159.11749	1.8
161.09648	12.5
161.13269	2.0
163.11150	1.5
163.14807	1.8
173.13280	1.9
175.14845	1.5
179.10687	1.4
182.56255	0.8
187.14830	0.8
197.11705	2.7
243.21178	1.9
251.12846	2.2
253.14383	55.7
261.22217	7.2
317.24902	2.7
335.25836	100.0
336.26126	2.5
406.71844	0.9
421.30960	1.3
432.78479	1.1
513.35815	80.6
514.36121	3.3
521.37878	0.8
531.36816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
51.76621	0.7
53.03931	2.4
55.01878	4.7
55.05513	17.7
57.03440	19.1
57.07065	2.3
59.60739	0.7
61.02928	3.6
65.03935	2.4
67.05508	64.2
68.05823	1.7
69.03427	1.7
69.07069	17.1
71.01350	2.8
71.05000	4.4
71.08629	0.9
71.16013	0.6
73.02935	0.9
77.03909	0.8
79.05495	53.3
80.05816	1.5
81.03418	4.3
81.07058	48.0
82.07400	1.5
83.04988	12.7
83.08620	6.6
85.02891	3.0
85.06547	3.4
90.95673	0.7
91.03962	0.9
91.05489	32.7
92.05816	3.9
93.07047	62.5
94.07353	1.1
95.04975	4.8
95.08611	32.9
96.08933	1.9
97.02886	1.0
97.06537	10.1
97.10183	8.0
98.21537	1.6
99.04458	0.9
99.08073	1.8
103.05459	0.7
105.04501	1.5
105.07029	14.8
106.07359	1.7
107.04976	1.3
107.08598	39.4
108.08918	1.2
109.06514	2.3
109.10165	14.1
111.08080	3.7
117.07020	7.5
119.08584	11.9
121.06477	1.0
121.10147	17.2
123.08051	0.9
123.11701	3.9
125.09664	1.7
129.06966	0.9
131.08588	6.3
133.10141	17.2
134.10477	5.1
135.08067	1.3
135.11696	48.2
136.12022	1.1
137.09607	1.9
137.13269	1.0
143.08574	1.3
145.10129	11.0
147.11711	4.4
149.09689	0.8
149.13237	5.4
151.11148	0.9
153.12779	4.0
155.08687	0.9
159.11740	3.3
161.09647	1.8
161.13281	2.4
162.09856	0.9
163.11223	5.9
163.14879	1.6
171.11691	1.2
173.11909	0.8
173.13200	3.5
175.14806	1.6
177.16429	0.9
181.12238	10.2
184.07376	1.5
185.13260	0.6
187.14862	1.5
199.13249	1.9
213.16528	0.8
227.12660	0.9
229.02444	0.7
241.19418	0.8
243.21112	4.4
243.23470	0.7
253.14328	7.2
254.14763	4.0
255.15929	100.0
256.16165	1.2
261.22186	11.8
317.24731	2.6
335.25803	61.1
336.26111	7.1
337.26498	3.4
400.40216	0.9
423.32504	2.1
441.33612	1.9
497.35953	1.2
513.35638	0.8
514.36060	2.2
515.37311	83.5
516.37427	3.0
533.38287	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	714.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05027	0.7
57.03441	0.2
58.06623	0.6
59.07394	0.1
60.08168	5.7
64.07395	0.1
67.05506	1.0
69.07074	0.4
69.24548	1.2
71.07378	3.3
79.05494	0.8
80.05832	0.1
81.07063	1.4
82.07390	0.1
83.04980	0.2
83.08635	0.2
85.94216	0.1
86.09711	28.8
91.05480	0.5
93.07059	0.9
95.04933	0.2
95.08598	0.8
96.08952	0.1
97.06564	0.2
98.21474	0.2
98.36327	0.1
98.98475	3.6
104.10748	2.2
105.07066	0.2
107.08595	0.5
109.10161	0.3
119.08619	0.2
121.10131	0.2
125.00014	20.7
130.10895	0.1
133.10156	0.2
135.11690	0.2
143.01033	0.1
160.62619	0.1
161.13278	0.1
176.95529	0.1
184.07352	100.0
185.07712	0.5
255.15965	0.3
256.16226	0.2
319.79623	0.1
335.25784	0.4
336.26044	0.3
337.26486	0.2
351.31738	0.1
493.02667	0.2
517.38232	0.5
519.73480	0.2
520.33606	0.2
534.48920	0.1
601.64221	0.1
714.47076	8.1
715.46893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05519	16.6
57.03445	14.1
57.07072	1.9
60.08148	5.9
60.08430	1.4
61.02916	2.3
65.03936	2.0
67.05512	45.8
68.60947	1.2
69.03430	2.7
69.07072	17.6
71.04989	3.4
71.07352	1.4
72.78288	1.3
77.66868	1.2
79.05073	2.0
79.05502	29.4
81.03417	1.3
81.07070	60.1
83.04961	2.1
83.08634	9.7
85.02914	2.2
85.06516	2.7
86.09221	1.2
86.09711	27.9
91.05488	27.2
93.07053	32.9
95.04955	3.1
95.08625	42.2
97.06528	5.0
97.10176	4.8
98.20816	3.5
98.98458	5.0
99.08070	1.4
105.07042	29.5
107.05004	1.5
107.08611	20.0
109.06515	2.5
109.09459	2.6
109.10159	20.7
111.08079	2.1
117.07046	7.6
119.08594	21.9
121.10165	19.9
123.08100	2.4
123.11710	8.3
125.00003	18.3
129.07021	3.0
131.08595	12.9
133.10162	13.7
135.11710	10.8
143.08553	4.2
145.10143	14.1
145.88257	1.4
147.11720	16.8
149.13287	6.9
155.08549	2.2
157.10100	5.6
159.11678	8.6
161.13232	6.4
163.11150	1.9
163.14862	2.9
165.12788	9.1
171.11720	4.7
173.11833	2.4
173.13269	7.2
175.14740	3.7
183.11609	1.4
184.07361	100.0
185.13223	4.4
186.96779	1.6
187.14801	2.3
189.16354	1.7
193.15704	1.3
199.14790	3.5
227.12682	1.6
227.16319	1.5
229.14330	7.0
239.16386	15.2
241.18016	5.0
255.21381	1.4
259.20609	6.4
261.22174	5.1
277.21777	1.8
299.23721	1.4
301.25284	1.4
333.24203	4.1
335.25806	30.7
381.39307	1.2
407.33035	5.2
425.34271	10.6
443.35226	5.4
479.99023	1.4
489.35834	5.0
499.37778	23.6
517.38928	64.6
518.38818	1.8
599.49872	3.5
605.82629	1.4
628.34760	1.4
714.45776	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	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03949	1.6
55.01857	0.3
55.05275	0.4
55.05515	5.9
56.04798	0.4
56.05047	3.9
57.03427	0.4
57.07082	3.3
58.06584	0.9
60.04537	2.4
62.28897	0.3
65.03931	0.9
65.95952	0.3
67.04272	0.3
67.05507	12.3
68.05006	1.0
69.03425	1.5
69.07076	7.8
69.50248	0.3
70.06590	2.0
71.08639	1.4
71.16792	0.6
79.05497	9.6
80.04649	0.3
80.05030	2.9
81.03402	0.6
81.05791	1.4
81.07063	10.4
82.06587	6.8
83.04972	0.6
83.08632	4.3
84.08103	0.4
85.02907	2.2
85.10176	0.7
86.06050	0.4
86.28551	0.3
87.04469	0.4
91.05486	8.4
91.92145	0.3
93.05799	0.6
93.07047	10.5
94.06573	17.8
95.04962	1.1
95.07355	7.5
95.08610	9.0
96.07578	0.4
96.08145	5.8
97.02862	0.9
97.06490	0.4
97.10180	2.7
98.06036	0.4
105.04494	0.6
105.07041	6.1
107.07977	0.4
107.08611	5.2
107.27695	0.4
108.08126	3.5
109.10148	3.6
110.09641	0.5
111.11717	0.6
117.07014	0.4
119.08579	5.8
121.08846	0.6
121.10145	5.8
122.09672	3.1
123.11741	1.5
124.11252	0.4
131.08609	0.4
133.10138	3.3
133.44534	0.3
134.09689	0.3
135.10475	0.7
135.11685	3.3
136.11201	0.9
137.13284	0.7
145.05002	0.4
147.11671	1.7
149.13255	1.1
151.14815	0.4
159.36140	0.3
161.13264	1.0
163.14769	0.3
191.17944	0.3
193.19481	0.3
219.20987	0.8
232.26416	0.3
233.22641	3.5
234.22200	0.5
245.22711	4.8
247.24278	0.3
250.25313	7.4
254.24763	1.1
262.25308	100.0
263.23349	0.7
263.25903	1.4
272.25854	4.8
280.26367	6.4
282.24506	0.3
306.28091	0.3
308.78409	0.3
312.25430	0.7
348.28946	0.3
442.31647	0.9
498.47098	0.4
504.47784	5.5
516.47803	33.2
517.47803	1.0
518.49377	5.6
534.48828	22.2
535.49182	0.8
603.55084	0.4
696.53998	7.3
697.54889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42068	0.5
69.03421	1.3
70.06564	1.1
70.95869	1.0
71.52241	0.5
72.93786	1.8
74.85030	0.5
77.40099	0.6
81.03410	1.5
85.02889	1.8
90.94821	1.6
96.45611	0.5
97.02916	4.6
103.31824	0.5
109.02892	1.3
116.07046	0.5
127.03925	0.8
128.96359	0.7
132.95863	4.0
134.59726	0.5
144.95818	1.3
145.04973	0.7
150.96869	1.0
152.96399	0.9
156.95844	1.2
158.97400	4.0
162.96976	0.6
168.95763	1.4
169.04997	0.7
170.97411	1.3
176.98495	0.8
181.36597	0.6
186.96893	1.1
194.97438	1.0
196.66420	0.6
198.96907	7.4
202.96404	0.7
208.72818	0.5
210.96904	0.9
212.98460	0.6
216.97942	4.6
222.96790	7.2
224.76610	0.8
234.96851	2.7
234.99037	3.6
236.94833	3.9
239.98483	0.6
240.97957	66.8
241.98213	1.1
244.97437	1.2
247.06010	0.6
252.97911	4.9
254.95866	2.1
254.99590	0.7
257.98349	1.8
258.99033	45.9
259.99350	0.7
262.98801	1.9
263.99582	1.8
264.97916	6.5
266.99423	0.8
270.26981	0.7
270.99005	1.5
280.97510	0.9
281.98102	1.2
282.99030	26.0
293.98123	1.0
294.99014	4.6
301.00009	1.9
306.95581	0.6
306.98965	14.2
309.00500	1.9
313.00101	2.3
318.98990	17.1
321.00449	0.8
325.00021	6.4
337.00113	1.6
343.01376	1.3
349.00082	25.4
355.01108	1.2
367.01132	5.7
373.00046	1.4
379.03348	1.5
384.02463	0.7
385.02203	100.0
386.02472	2.3
389.01755	3.5
390.00647	0.7
391.01096	29.8
403.03232	2.3
426.04733	0.8
427.03342	0.7
433.02206	4.1
553.06403	1.9
568.09509	0.7
622.72577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
67.05516	1.7
69.85204	0.9
69.85599	1.9
72.08161	1.5
79.05485	0.9
80.25120	0.5
81.03453	0.6
81.07049	1.3
91.05489	0.9
93.07075	0.8
95.04958	0.7
95.08606	0.9
99.04449	0.6
105.07010	0.8
109.10177	1.4
151.94138	0.6
159.11768	0.8
159.89851	0.6
625.32281	1.8
643.29675	1.2
715.33020	100.0
716.33685	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	716.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	3.6
55.05270	0.9
55.05514	15.0
57.03437	8.0
57.07067	1.2
59.04997	3.3
61.02917	3.0
65.03938	2.4
65.44079	0.6
67.05507	74.1
68.05823	0.8
69.03438	7.0
69.07066	17.2
69.69918	1.7
69.70325	2.8
71.04986	3.3
73.02915	1.6
77.63231	0.7
79.05493	15.5
81.03421	3.6
81.07061	20.0
83.04983	2.7
83.08617	8.7
85.02909	1.5
85.06532	1.9
86.09669	0.6
86.56759	0.7
87.04459	0.9
91.03941	0.8
91.05486	13.5
93.07043	12.7
95.04976	5.7
95.08620	9.6
97.02897	7.9
97.06514	1.5
97.10163	9.9
99.08045	0.8
105.07034	7.7
107.04974	4.0
107.08597	8.2
109.06520	1.7
109.10159	55.9
111.04431	0.8
111.08044	3.6
117.07011	4.8
119.05019	0.8
119.08571	11.3
121.06498	2.4
121.10153	3.4
123.08088	2.4
123.11710	1.5
125.05930	0.8
125.09630	7.4
129.07011	1.1
130.07840	0.8
131.08566	4.9
133.06499	2.6
133.10127	4.9
135.08041	3.0
135.11665	1.0
137.09610	5.2
143.08569	2.7
145.05032	0.7
145.10124	4.2
147.08041	4.0
147.11710	1.5
149.09575	1.6
149.13268	1.2
151.11186	0.7
153.08975	0.7
155.10689	3.1
157.10141	2.1
159.11722	2.3
161.09648	1.6
163.11147	1.6
164.26825	0.7
165.09132	1.5
173.11758	13.9
173.13239	0.8
173.25575	0.8
175.11183	1.4
177.12781	1.3
184.07381	1.3
189.11211	3.0
190.45940	0.7
193.12415	0.8
195.13766	0.7
199.11354	0.7
204.18292	0.7
205.12263	1.1
211.13290	1.3
223.13297	12.5
227.12686	4.6
229.14357	61.7
245.19128	1.2
249.14803	1.6
253.14473	2.9
267.15988	0.9
273.18497	11.5
291.19543	73.0
292.19958	1.8
315.27988	0.8
347.22238	2.0
365.23233	38.2
399.23706	1.2
421.25458	1.1
425.25629	1.0
439.26929	2.8
501.32208	2.6
519.33197	100.0
520.33514	3.6
582.19183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91019	0.2
55.05505	0.3
56.05032	0.7
57.07070	0.2
58.06622	0.6
60.08169	6.6
67.05505	0.6
69.07071	0.4
69.21390	0.2
70.10014	0.4
70.10404	0.4
71.07379	3.3
78.69970	0.2
81.07061	0.7
86.09711	30.8
86.73519	0.2
87.10033	0.3
87.21391	0.2
89.06051	0.7
93.07050	0.3
98.98466	3.2
104.10757	2.1
107.08642	0.2
110.44354	0.2
121.10133	0.2
125.00013	21.4
133.08566	0.3
143.01068	0.3
184.07352	100.0
185.07745	0.6
195.00453	0.2
246.08101	0.2
264.26971	0.6
452.24265	0.2
602.40179	0.2
716.48688	6.9
717.49286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.07081	3.8
58.06598	0.3
59.02601	0.2
61.02925	0.2
62.06097	0.3
63.67655	0.2
67.05485	0.8
69.07063	0.3
70.06600	7.0
71.04967	0.3
71.08633	1.4
71.53162	0.2
77.85550	0.2
78.93927	0.2
79.05495	0.6
79.67040	0.3
81.03381	0.2
81.07035	0.8
82.07415	0.2
85.02880	0.2
85.10197	0.7
88.07642	8.5
91.05486	0.6
93.07041	0.4
95.08601	0.7
102.09182	2.5
105.07048	0.4
105.86090	0.2
106.08029	0.4
106.08683	5.0
107.08586	0.3
109.10155	0.4
119.08573	0.3
131.08536	0.4
133.10173	0.3
140.00079	0.2
145.06493	0.3
171.33377	0.2
184.07378	0.4
213.55721	0.2
258.28040	0.4
284.29510	4.6
302.30557	100.0
303.30914	1.7
320.40622	0.2
344.27557	0.2
349.45273	0.2
389.21500	0.2
698.36182	0.2
716.38055	1.0
717.38116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
54.25875	0.7
55.01857	3.1
55.05510	13.6
56.05811	0.8
57.03439	10.9
57.07076	2.4
57.44687	0.8
59.04985	3.6
61.02924	5.2
65.03928	1.7
67.05506	95.9
69.03427	5.0
69.06730	1.2
69.07071	13.9
71.04987	5.7
73.02901	2.1
79.05496	22.6
81.03428	9.6
81.07060	44.2
83.04980	6.2
83.08620	11.4
85.02919	5.6
85.06528	3.4
91.03953	1.8
91.05486	23.0
92.05822	1.0
93.06484	1.6
93.07048	30.0
95.04993	4.9
95.08612	18.6
97.02880	3.9
97.06537	6.2
97.10179	4.5
98.20708	1.6
99.04431	1.8
99.08064	2.1
103.03900	0.9
103.91611	0.9
105.07027	15.6
107.04957	4.4
107.08601	18.7
108.77346	0.8
109.02835	1.2
109.06497	2.1
109.10160	68.1
109.32423	0.8
111.08088	5.2
113.05986	1.2
117.07014	8.4
119.08576	17.8
121.06492	1.9
121.10154	8.1
123.08068	2.7
123.11684	1.7
125.09622	3.3
127.03909	2.6
129.07002	2.4
131.08565	7.9
133.06429	1.4
133.10141	11.8
135.08018	2.2
135.11684	9.6
137.09633	3.9
141.06955	1.3
143.08553	2.5
145.06494	0.9
145.10123	7.9
147.08095	1.1
147.11693	5.2
149.02348	3.6
149.09578	4.1
149.13257	7.0
151.11131	1.5
155.10687	6.3
157.10107	1.9
159.11728	7.7
161.13255	1.8
163.03922	1.0
163.11172	3.6
169.10168	1.0
171.11731	1.3
173.04411	1.2
173.09653	0.8
173.10149	1.1
173.11781	18.7
173.13277	3.0
175.11264	0.9
177.12773	2.7
179.14293	1.6
183.11655	1.6
184.07315	2.5
185.13242	0.9
189.11133	1.4
193.04980	5.0
195.13780	3.6
207.13870	0.9
211.13354	1.0
227.12749	2.9
229.14355	70.1
237.07710	1.6
239.17979	1.4
245.13728	1.1
247.20433	1.2
251.16476	1.3
253.14317	1.0
254.17313	0.8
255.15880	6.3
257.18985	3.3
267.15927	2.0
269.17468	17.0
275.20062	16.0
331.22687	1.0
333.24155	0.9
349.23746	10.9
359.07526	1.3
367.24698	2.4
383.24109	1.1
385.09097	2.7
409.25848	24.9
413.21506	1.6
423.27432	100.0
424.27740	2.0
429.11880	6.1
503.33759	21.9
521.28375	0.9
521.34766	7.6
529.63873	0.9
539.33429	1.5
557.34766	1.1
567.31561	3.0
700.37946	1.1
701.38477	1.3
718.37549	5.8
719.38940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26317	0.6
53.03951	3.0
55.01882	3.8
55.05264	1.3
55.05519	16.4
57.03448	10.8
57.07081	1.8
59.05013	3.9
61.02930	3.9
65.03966	3.5
67.05515	100.0
68.05854	0.9
69.03445	5.9
69.07076	16.6
71.05006	7.5
71.08645	1.0
71.25256	0.9
73.02936	1.5
79.05506	24.2
81.03437	7.6
81.07067	39.2
82.07417	1.0
83.04996	5.7
83.08634	12.6
85.02922	4.8
85.06548	4.4
91.03992	2.3
91.05492	24.5
93.06480	1.5
93.07061	24.2
95.04993	6.9
95.08628	17.8
97.02914	3.2
97.06545	6.4
97.10165	7.3
99.04480	1.4
99.08117	1.9
105.04530	1.0
105.07048	16.3
107.04987	4.9
107.08614	20.1
109.02903	1.8
109.06537	3.1
109.10172	77.6
111.04504	0.8
111.08098	7.2
111.61283	0.6
113.09634	0.8
115.05511	0.7
117.07029	9.6
119.08598	16.1
121.06545	2.6
121.10150	7.8
123.08094	1.9
123.11738	1.6
125.09632	5.3
127.03968	2.7
129.05498	0.9
129.07069	1.8
130.07899	0.9
131.08586	10.9
133.10153	11.8
135.08104	2.8
135.11726	7.1
137.09648	5.2
141.07062	1.0
143.08618	2.4
145.05019	1.3
145.06522	1.2
145.10132	9.2
147.08086	0.7
147.11717	6.5
149.09651	7.3
149.13303	4.7
151.11244	1.4
153.09169	0.9
153.12791	0.8
155.08620	1.6
155.10719	5.4
157.10222	2.0
159.11719	7.2
161.13321	1.8
163.11201	5.7
165.09137	0.7
169.10153	1.3
171.10423	0.8
171.11789	2.6
173.04565	1.3
173.09720	0.7
173.10164	1.1
173.11821	16.6
173.13348	3.5
175.11217	1.2
177.12865	2.7
179.14362	1.5
183.11684	1.1
184.07350	0.8
185.13223	1.0
187.11206	0.7
187.14778	0.7
189.11282	3.5
193.12372	0.6
195.13910	2.3
197.13358	0.8
215.14563	0.7
215.17979	0.8
217.15843	0.8
227.12811	13.1
228.38510	0.7
229.14383	63.4
229.19513	1.7
233.15407	0.8
239.18030	1.3
247.20630	1.3
255.15993	4.9
257.18997	6.3
267.16064	1.4
269.17526	10.9
272.24030	0.7
275.20093	18.8
276.20676	0.8
293.21252	1.4
325.20236	1.1
331.22858	2.1
349.23779	19.1
367.25095	1.0
383.24753	2.4
399.24097	3.2
407.28317	1.7
409.25931	15.4
413.21689	0.9
423.27475	59.3
424.27667	1.4
440.30261	0.8
463.30917	2.3
503.33765	32.3
504.34088	1.6
521.34882	6.2
537.87073	0.7
543.27887	1.0
567.32281	2.6
718.38855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01852	2.0
55.05518	8.5
57.03442	9.5
57.07084	27.4
57.07343	1.0
61.02935	0.7
62.26081	0.5
65.03915	1.1
67.05515	14.9
69.03408	1.4
69.07082	9.4
71.04972	1.9
71.08643	20.7
73.02900	1.1
74.48130	0.5
79.05502	15.4
81.03386	1.6
81.07069	21.3
83.04954	2.3
83.08170	0.8
83.08626	14.0
85.02885	1.3
85.10188	10.7
89.06037	2.8
91.03990	0.6
91.05494	6.0
93.07058	22.7
95.04993	4.5
95.08617	42.5
96.08936	0.7
97.02894	3.8
97.06494	2.0
97.10198	3.9
97.10746	0.9
98.21509	2.0
99.04447	3.1
99.11704	0.8
103.07550	0.6
105.07036	3.9
107.04963	6.1
107.08607	20.5
109.06506	1.4
109.10170	7.5
111.04404	0.6
111.08038	1.0
111.11725	0.7
117.07029	6.7
119.08607	8.0
121.06526	4.4
121.10161	9.9
123.11736	2.7
123.49135	0.6
125.05970	2.4
125.13213	0.6
130.07765	0.8
131.08528	0.7
133.10097	2.9
134.08932	0.6
135.08009	1.8
135.11707	37.8
137.13251	1.6
139.07526	1.2
145.10146	21.5
151.14778	0.7
153.12769	0.9
154.47163	0.6
163.11200	53.5
181.12239	8.9
184.07344	1.5
209.11644	1.1
227.12810	55.9
228.13184	0.9
229.33405	0.8
239.23698	1.3
257.24774	2.6
283.15427	91.6
284.15707	1.4
313.27399	100.0
314.27716	1.7
356.35461	0.6
394.95969	0.5
521.38446	98.5
522.38745	2.6
573.02344	0.7
592.04797	0.6
622.27948	0.9
718.43298	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
53.57162	0.3
54.31781	0.3
55.01615	0.3
55.01866	1.1
55.05506	0.6
57.03432	1.5
59.04984	0.3
61.02703	0.2
61.02930	2.5
67.01855	1.1
67.05518	1.8
69.03432	7.3
69.07056	0.7
69.24770	1.9
69.25191	0.7
70.06573	1.0
71.04977	0.9
73.02929	1.4
75.06366	0.3
79.05481	1.1
81.03418	3.6
81.07052	2.1
83.01342	2.3
83.04971	0.8
83.08591	0.3
85.02907	20.5
86.09709	0.5
87.04462	1.2
88.17369	0.3
91.03952	1.5
91.05473	0.9
93.07034	1.0
95.04984	3.2
95.08593	1.0
97.02290	0.5
97.02895	7.8
97.06495	0.3
97.10175	0.6
98.06026	0.3
99.04462	1.7
105.03367	0.7
105.07027	0.8
107.08575	1.1
108.04481	0.4
109.02887	2.4
109.06512	1.6
109.10152	0.4
119.04951	0.7
119.08564	1.3
120.08108	0.4
121.10138	0.9
123.04431	5.0
123.11716	0.5
127.03922	4.0
133.02850	1.3
133.10164	0.5
135.08000	0.8
135.11674	0.4
137.09637	0.5
145.04973	4.4
145.10129	0.5
147.04427	2.7
147.11705	0.5
148.07591	0.4
151.03911	8.0
155.03398	0.4
157.12206	0.3
161.02376	1.2
161.09769	0.4
163.03864	0.3
163.11218	0.5
164.81648	0.2
167.03375	0.4
169.04976	13.0
171.11734	0.3
177.05592	0.5
179.03406	17.6
180.03807	0.3
185.04514	0.7
197.04460	100.0
198.04784	1.1
199.08652	2.4
200.09406	1.0
201.10243	0.4
211.05994	0.3
211.08635	0.8
212.06975	0.3
212.09444	0.6
213.06720	1.7
213.10277	3.9
214.10846	0.3
215.08098	0.4
221.13063	0.3
224.09448	0.4
225.06561	0.9
225.10219	1.0
226.07368	0.6
226.10881	0.3
227.08258	1.8
227.11752	2.4
228.08690	0.6
229.09756	1.2
239.08188	0.4
239.11794	1.3
240.08957	0.7
241.09650	2.4
242.10460	1.2
245.09091	0.3
245.12880	6.8
253.09752	1.2
254.10594	0.3
255.07541	0.4
255.11307	8.1
259.10785	0.3
265.10617	0.6
267.11285	3.0
268.12012	0.5
269.09436	0.4
273.08911	0.6
273.12305	1.3
283.10791	6.1
284.11349	0.7
285.12384	1.4
287.10095	0.6
291.08728	0.3
295.10724	1.0
296.11584	0.4
301.11850	11.7
301.21515	0.7
302.12292	0.3
311.10248	0.7
313.11868	4.2
314.12524	0.4
319.22717	1.2
329.11319	7.7
329.15057	0.6
337.24088	0.3
341.11493	1.9
342.12180	1.9
347.12335	1.2
359.09738	8.5
361.13937	59.0
362.14267	1.1
373.14017	2.4
497.15256	0.3
524.14471	1.1
525.15344	1.5
557.17358	1.2
687.20129	2.8
718.44757	0.4
719.22913	8.6
719.34161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01873	1.0
55.05513	8.1
56.78519	0.5
57.03442	8.4
57.07080	17.4
61.02928	1.2
65.03947	0.7
67.05177	0.8
67.05507	11.7
68.11407	0.4
69.03438	2.4
69.07066	6.1
69.26213	0.5
69.26556	4.0
71.04993	2.5
71.08637	14.2
79.05498	7.9
81.03421	31.6
81.07059	15.0
83.04979	6.5
83.08624	16.5
83.09118	0.9
85.02911	12.5
85.06544	1.1
85.10188	8.7
86.03827	0.4
89.06042	0.5
91.03961	0.6
91.05487	9.4
93.07044	6.9
95.04968	12.2
95.08614	13.8
97.02919	2.1
97.06532	1.8
97.10166	4.3
98.20715	1.0
103.07574	0.7
105.07041	8.2
107.04951	2.6
107.08579	3.6
109.06551	2.4
109.10160	6.3
111.04450	1.6
111.08076	5.3
113.06008	1.4
115.05477	0.7
117.07030	1.2
119.08595	7.8
121.06538	0.8
121.10161	4.2
123.08067	1.5
123.11724	2.5
125.09634	1.2
129.07007	4.7
131.08569	4.7
133.06512	1.2
133.10126	4.0
135.11668	0.8
137.13264	1.2
142.07797	1.3
145.10159	0.8
147.08099	1.3
147.11707	8.0
149.09644	3.5
149.10696	0.5
156.49870	0.4
157.10127	6.7
163.11229	0.6
165.12744	1.5
175.11189	7.3
184.07451	0.6
193.12254	25.5
211.13303	31.7
227.12810	0.9
229.27553	0.4
229.30119	0.4
236.86595	0.4
239.23779	1.3
257.24814	1.7
267.15915	7.0
284.15701	0.6
285.16974	31.0
313.27383	42.2
314.27737	1.4
429.21161	0.7
505.38922	8.6
523.39960	100.0
524.40436	3.5
595.17377	0.5
623.28552	2.2
657.77698	0.5
683.31555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01879	16.1
55.05513	33.4
57.03445	15.4
57.07063	3.1
61.02934	2.6
65.03938	6.2
67.05508	100.0
69.03439	10.6
69.07072	31.9
69.32520	14.5
71.01340	2.2
71.04983	8.6
73.02889	3.6
79.05498	77.1
81.03424	35.6
81.07061	97.0
83.01334	2.0
83.04980	9.2
83.08637	21.2
85.02886	9.7
85.06528	4.7
88.14446	1.8
91.05487	69.1
93.06483	4.0
93.07051	76.7
95.01331	12.7
95.04981	22.6
95.08617	69.0
97.02887	12.1
97.06541	13.2
97.10180	11.3
99.04460	2.4
101.02394	2.0
103.05434	3.2
105.07039	66.4
107.04956	15.1
107.08602	42.2
109.02872	8.3
109.06522	11.6
109.10162	37.5
111.04458	3.9
111.08054	7.7
113.02357	2.2
115.05466	2.1
117.07040	29.2
119.04899	4.0
119.08588	48.1
121.02831	3.0
121.06528	14.2
121.10155	28.1
123.04405	6.1
123.08066	7.9
123.11677	14.2
125.09631	9.0
125.10510	1.9
127.03905	4.0
128.06180	4.2
129.01810	2.3
129.07008	21.1
131.04936	4.2
131.08575	43.0
133.06485	8.2
133.10136	37.0
135.04422	9.0
135.08034	7.1
135.11702	16.2
137.05977	5.0
137.09605	5.5
137.13278	3.6
141.01842	4.5
141.06970	7.4
142.07759	3.1
143.08574	20.2
145.06445	6.0
145.10132	34.2
147.04446	5.1
147.08035	8.3
147.11708	26.8
149.05963	2.8
149.09634	8.6
149.13284	12.4
151.03918	9.6
151.11206	4.0
153.06975	2.9
154.07677	2.1
155.08588	13.1
157.06464	2.7
157.10138	22.4
159.08043	5.4
159.11694	24.8
161.05991	4.0
161.09663	5.0
161.13258	13.3
163.03864	2.7
163.07526	3.6
163.11154	4.7
163.14806	4.0
165.12723	4.7
167.08565	4.8
169.06529	3.0
169.10150	13.7
171.08023	3.8
171.11707	12.6
173.04491	3.2
173.05969	4.6
173.09604	6.3
173.11859	3.1
173.13260	15.9
175.03871	3.1
175.07555	2.4
175.11250	10.2
175.14807	6.0
177.03897	2.4
177.12729	7.8
179.08569	2.5
179.14348	2.7
181.10130	6.5
183.11676	7.1
184.07323	3.5
185.09579	3.1
185.13184	11.1
187.11177	5.9
187.14798	7.0
188.34357	2.0
189.05495	4.4
189.16443	2.2
193.10226	3.9
193.12228	7.2
195.11702	5.5
197.13266	7.0
199.11154	2.8
199.14842	7.2
201.12839	3.3
205.12253	5.2
207.13725	3.0
209.13309	6.3
211.14885	3.2
213.12778	2.5
213.16476	3.2
215.10704	2.6
217.12192	2.5
219.17625	2.2
223.11299	2.8
223.14970	2.5
225.16473	2.7
227.10625	3.6
227.12730	7.5
229.12172	2.5
241.12106	2.6
241.19434	3.0
243.21091	4.7
245.11671	3.3
257.19089	3.0
259.13370	3.9
259.20557	8.7
261.22174	12.1
267.15936	21.0
269.11594	2.4
271.13559	2.5
275.20163	16.4
279.23190	2.8
285.22144	4.5
287.12851	4.5
287.23810	3.3
289.14322	3.9
291.19479	7.6
305.13947	2.7
314.61661	2.1
315.12396	2.8
317.24707	3.5
323.14975	4.1
333.13251	7.0
333.24304	5.6
335.25845	37.3
349.23743	8.3
351.14441	19.0
353.16135	2.9
369.15448	3.4
402.01086	2.2
407.16971	2.7
413.17538	5.3
417.31342	2.6
425.18039	14.2
435.32532	7.4
443.19028	12.1
453.33917	2.4
509.36096	4.0
527.37421	35.2
528.37646	4.1
541.35345	27.6
545.38550	26.2
549.26569	3.1
549.35754	2.2
559.36182	7.0
565.34808	4.4
575.33301	3.7
583.35870	4.6
593.34637	8.2
611.35846	16.0
627.22998	2.0
629.37207	9.4
649.36859	4.1
657.40198	3.2
667.38391	11.5
685.39514	37.1
703.29340	3.9
703.40582	60.4
704.40594	4.5
710.27417	2.2
721.38776	67.5
722.37823	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
54.80283	1.5
55.01877	13.9
55.05270	2.2
55.05512	31.9
57.03443	15.1
57.07076	4.0
65.03938	7.5
67.05508	100.0
69.03439	10.0
69.07074	27.2
71.04999	7.4
71.17461	3.1
71.25879	1.4
73.02885	1.9
74.17275	1.5
79.05497	66.8
81.03425	22.5
81.07061	99.0
82.44340	1.5
83.01363	2.0
83.04990	7.8
83.08620	18.7
85.02911	8.7
85.06538	6.6
87.47587	1.4
90.36466	1.4
91.05482	67.1
92.85126	1.4
93.07047	72.6
95.01325	17.5
95.04974	23.5
95.08610	65.0
97.02901	6.4
97.06548	9.8
97.10165	13.0
99.04505	2.4
99.08072	3.4
103.05471	2.2
105.03412	1.7
105.04545	1.6
105.07034	49.1
106.04951	1.8
107.04948	11.8
107.08601	41.3
109.02898	7.2
109.06487	8.0
109.10155	39.4
111.04438	3.6
111.08076	6.5
111.11692	2.1
113.02331	2.0
115.05463	5.0
117.07019	28.6
119.04947	2.9
119.08584	44.8
120.08934	1.8
121.02845	2.3
121.06509	13.0
121.10144	30.8
123.04440	4.9
123.08063	6.5
123.11697	14.1
125.02352	3.3
125.09615	6.7
127.03944	4.1
128.06235	4.2
129.05528	2.5
129.07025	24.2
130.07770	3.5
131.04913	5.2
131.08569	41.6
133.06494	6.8
133.10129	34.9
135.04448	3.7
135.08063	8.6
135.11687	20.4
137.02277	2.1
137.05992	5.3
137.09666	7.8
137.13264	3.5
139.03969	1.9
139.11150	1.8
141.01804	4.8
141.06989	7.7
142.07761	3.4
143.08591	14.3
145.06474	4.8
145.10126	32.6
147.04422	2.5
147.08060	5.4
147.11687	25.0
149.02332	1.7
149.05942	4.1
149.09607	7.2
149.13269	11.0
151.03934	11.8
151.11203	3.6
152.06219	1.6
153.05447	2.7
153.06996	1.4
153.09134	1.4
154.07787	2.1
155.08537	12.3
156.09390	2.0
157.06476	3.9
157.10132	21.4
159.08020	2.9
159.11696	23.6
161.05986	3.2
161.09605	6.5
161.13274	14.2
163.03877	3.2
163.07530	2.9
163.11160	4.9
163.14854	2.2
165.05463	1.7
165.06964	2.0
165.12772	3.3
167.08586	5.3
169.10107	15.0
171.08003	3.3
171.11699	12.7
173.06047	1.9
173.09595	3.7
173.13216	15.9
175.03862	2.8
175.11230	8.3
175.14845	7.4
177.05463	2.2
177.12740	5.2
179.08548	2.6
179.14323	1.8
181.06512	2.4
181.10149	6.2
183.08025	2.1
183.11736	10.8
185.09697	3.0
185.11838	1.7
185.13240	8.7
187.07559	2.6
187.11166	5.6
187.14801	7.5
189.11198	2.8
189.12721	2.1
191.10658	2.5
191.14272	2.2
192.50214	1.6
193.10417	2.4
193.12285	6.6
195.08049	2.6
195.11710	6.2
197.09694	1.9
197.13263	7.2
199.11201	3.3
199.13141	1.6
199.14848	6.5
201.16397	2.1
205.12222	2.7
207.11803	2.9
207.13843	4.5
209.13275	4.4
211.14835	5.5
213.09233	1.9
213.16396	2.4
217.15810	3.0
219.11780	2.0
223.14948	2.2
225.09102	2.3
225.12746	3.2
225.16388	3.3
227.10733	2.3
227.12761	4.0
229.12386	2.4
229.14412	2.0
233.11717	2.0
235.14864	2.5
237.16487	2.9
239.10617	2.6
241.19617	2.8
243.20955	4.5
259.20578	7.4
261.22223	13.3
262.13269	1.5
267.15887	6.5
271.20541	2.0
273.18546	3.8
273.21915	2.2
277.14310	1.8
279.23239	2.3
285.22110	5.1
287.23541	2.4
291.12076	1.8
291.19583	6.2
301.21664	1.9
301.24997	2.4
303.23279	3.6
307.15289	2.3
315.23227	3.2
323.14676	2.4
333.13232	2.4
333.24136	4.5
335.25821	37.5
341.24615	2.1
351.14401	25.2
351.25476	1.6
353.15976	1.7
359.25723	2.8
413.21692	2.2
417.31601	3.4
425.18054	9.2
435.32755	8.1
443.18808	8.7
445.30765	2.0
453.33517	3.2
491.35403	1.9
501.35596	2.1
509.36191	4.7
525.36755	1.9
527.37402	35.7
528.37592	3.6
529.32330	2.2
539.32361	1.9
541.34784	2.5
545.38477	22.3
559.36279	5.6
565.34790	2.3
575.33887	4.2
583.36230	2.0
593.34729	8.5
611.35895	12.7
629.37085	7.4
631.36719	2.2
637.36969	2.0
639.38849	2.7
649.36969	3.6
657.39117	4.2
667.38489	11.7
685.39526	40.2
686.39587	2.0
695.78192	1.7
703.40540	67.1
721.41699	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.9
53.03937	8.5
55.01868	14.5
55.05268	2.4
55.05510	32.5
57.03450	10.3
57.07065	4.8
58.19455	1.7
61.29173	1.4
62.76853	1.7
63.95544	1.4
65.03928	5.7
65.67776	1.7
67.05510	91.6
69.03447	8.0
69.07076	25.1
71.04982	6.1
72.04301	1.8
73.02914	2.2
76.09848	1.6
79.05498	71.2
81.03423	20.6
81.07059	100.0
83.01324	2.0
83.04990	8.2
83.08624	17.3
85.02889	5.7
85.06524	6.2
91.04909	2.9
91.05482	64.7
93.07047	68.4
95.01340	15.7
95.04973	15.6
95.08611	69.0
97.02885	4.8
97.06512	7.1
97.10162	9.4
103.05445	3.5
103.65354	1.7
105.03463	1.9
105.07034	56.2
107.04966	12.3
107.08598	38.6
108.89262	1.6
109.02870	3.9
109.06497	7.0
109.10163	34.1
111.04443	4.8
111.08067	5.7
113.02368	3.1
115.05424	4.5
117.07020	28.2
119.04920	3.5
119.08592	49.5
121.02899	2.6
121.06500	12.0
121.09348	2.1
121.10159	29.4
123.04432	4.7
123.08047	7.1
123.11726	14.3
125.02361	3.6
125.09628	7.2
126.45932	1.6
127.03919	3.8
128.06232	4.3
129.07013	19.5
131.04907	5.2
131.08563	39.9
133.06476	6.9
133.10153	35.2
135.04401	4.4
135.08058	6.7
135.11703	20.5
137.02328	2.8
137.06038	4.0
137.09612	4.8
137.13275	3.9
139.03827	2.4
139.11194	2.5
141.01825	6.3
141.06958	8.6
142.07759	5.2
143.08562	20.1
145.06461	6.7
145.10133	32.2
147.04407	4.9
147.08041	6.7
147.11697	23.3
149.05981	5.0
149.09598	7.5
149.13290	12.2
151.03960	8.8
151.07552	2.6
151.11195	5.0
153.05435	2.1
154.07761	3.5
155.08591	11.0
157.06488	3.9
157.10135	20.9
159.08075	4.3
159.11696	27.9
161.05969	4.7
161.09615	5.1
161.13254	11.5
163.03928	3.0
163.11179	4.2
163.14845	3.7
165.05536	2.6
165.06990	2.1
166.07724	1.9
167.08521	5.2
169.04985	1.8
169.10170	15.3
171.08096	4.1
171.11678	15.8
173.09624	3.7
173.11865	3.2
173.13245	15.8
175.03842	2.8
175.07550	2.0
175.11180	9.3
175.14807	7.7
177.03899	2.1
177.12743	7.0
179.08543	4.0
179.14297	1.7
181.10117	8.2
181.12389	1.7
183.08067	3.1
183.11667	10.8
185.09608	4.9
185.11720	1.8
185.13281	13.9
186.13791	2.0
187.07559	1.8
187.11145	6.1
187.14870	9.7
189.09117	3.3
189.11174	3.3
189.12769	2.7
189.16327	2.9
191.10605	2.2
193.10139	2.7
193.12299	5.2
195.11688	5.5
197.09641	3.4
197.13292	8.6
199.07597	2.1
199.11171	4.8
199.14845	5.8
201.09082	3.7
201.12802	2.1
201.16380	4.0
203.14297	1.9
205.09993	2.4
205.12242	2.9
207.11835	3.0
207.13744	3.5
209.13210	5.2
211.11220	3.4
211.14848	4.5
213.12737	2.5
213.16473	2.4
215.10675	2.0
215.14279	2.0
217.08620	1.9
217.12273	2.4
221.09796	1.8
221.13255	2.8
223.13005	1.7
223.14909	4.3
227.10648	2.0
227.12721	3.9
235.14824	3.2
237.16376	2.2
241.12346	2.0
243.10170	2.3
243.21146	5.7
245.11511	2.4
249.16356	2.3
259.20529	6.8
261.22153	13.9
267.15976	7.7
267.21072	1.9
271.20547	2.5
273.18619	3.4
275.20135	2.4
279.12225	3.3
279.23260	3.2
285.22049	4.0
287.12811	5.2
289.14429	2.5
291.19470	4.1
303.23425	4.0
305.13925	4.1
307.11685	1.5
307.15408	3.2
315.12238	3.3
323.14764	1.8
329.24774	2.2
333.13303	5.6
333.24222	5.9
335.25809	27.2
335.91949	1.8
351.14355	24.2
353.15686	3.2
353.26776	1.9
365.23224	2.8
369.15451	2.8
407.17059	2.2
417.31427	2.6
425.18076	12.3
435.32684	9.6
437.25223	1.7
443.19125	9.5
445.20410	2.1
453.33316	4.0
457.25656	2.5
501.35434	2.9
503.38037	2.4
513.34247	2.0
527.37402	45.1
528.37738	4.3
529.33179	2.5
539.31738	2.1
541.35071	1.8
545.38403	27.9
549.34229	2.1
559.36023	5.4
565.35358	3.5
575.34100	3.6
593.34430	8.9
611.35632	14.9
625.37097	2.1
629.36981	9.4
637.37805	1.9
649.37140	4.3
667.38507	15.2
685.39447	35.9
703.40546	72.7
703.52899	3.7
704.40698	2.8
721.41638	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	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
52.56435	0.4
53.03932	1.9
55.01880	2.3
55.05516	6.0
57.03442	7.5
57.07062	0.5
59.66978	0.4
59.70640	0.4
61.02916	0.6
65.03918	0.6
67.05507	12.9
68.60964	0.4
69.03432	2.4
69.07075	5.1
70.09898	1.4
70.10240	0.4
71.05000	2.4
73.02889	0.8
77.03902	0.4
79.05499	16.2
81.03425	43.9
81.07063	15.3
82.03735	0.4
83.04996	3.8
83.08622	13.2
85.02868	1.4
85.06529	0.6
86.09684	0.5
87.04442	0.4
91.05491	11.1
93.07050	21.9
95.04385	0.6
95.04978	14.1
95.08614	21.9
97.02902	4.0
97.06553	2.6
97.10131	1.4
98.21457	0.6
99.04471	2.3
103.05452	0.4
105.06419	0.6
105.07043	8.9
107.04306	0.6
107.04961	7.1
107.08601	16.7
108.08897	0.4
109.02872	0.7
109.06541	3.2
109.10175	3.1
111.04458	2.3
111.08081	5.2
113.05975	0.7
115.05426	0.9
117.06247	0.4
117.07030	6.1
119.04922	0.6
119.08588	11.8
121.06541	3.8
121.09338	0.6
121.10154	9.8
123.08041	1.5
123.11619	0.5
125.05956	1.3
125.09620	0.8
127.03886	0.5
129.07022	4.1
130.07762	0.8
131.08589	5.1
132.08220	0.5
133.06471	1.9
133.10138	5.2
135.08054	1.3
135.11702	29.2
137.09592	0.8
139.07520	1.4
142.07803	1.0
143.08598	0.9
145.10127	16.8
147.08055	1.8
147.11697	4.8
149.09644	3.0
151.11169	0.6
153.12750	0.5
155.08530	0.5
157.10152	6.2
159.11595	0.5
163.11194	44.7
164.11507	0.5
165.12749	1.1
173.09650	0.7
175.11185	5.4
177.12755	0.6
181.12254	7.8
184.07260	0.5
187.11221	0.4
193.12251	14.2
205.12239	0.6
209.11714	1.5
211.13280	1.7
215.12643	1.0
225.56252	0.4
225.92709	0.4
227.12794	45.8
228.13120	0.8
249.14832	1.1
267.15930	90.6
268.16226	1.7
269.17468	0.6
273.14862	0.4
283.15417	62.6
284.15677	1.3
301.16660	0.5
409.26111	0.7
439.45139	0.5
461.28940	1.4
475.26956	100.0
476.27386	2.9
493.28018	1.5
507.29630	0.6
517.28070	1.2
525.30383	0.9
542.35297	0.5
722.41882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50341	0.2
55.05499	0.6
56.05024	0.5
57.03435	0.5
57.07079	1.6
58.06617	0.4
60.07883	0.4
60.08163	5.3
67.05506	2.7
69.07069	0.7
71.04993	0.3
71.07377	3.1
71.08631	1.1
71.53285	0.3
74.09711	0.2
79.05477	0.7
79.84283	0.2
81.07058	3.2
83.08636	0.5
85.02915	0.2
85.06530	0.4
85.10174	0.6
86.09708	29.4
87.33392	0.2
89.02910	0.2
91.05473	0.8
93.07039	1.4
95.08616	1.5
97.06509	0.3
97.10188	0.6
98.98463	2.7
99.08097	0.2
104.10744	2.1
105.07020	0.4
107.08605	0.6
109.10154	0.6
111.08081	0.3
117.06979	0.3
121.10158	0.4
123.11713	0.6
125.00008	19.7
128.96422	0.2
131.08620	0.3
133.10141	0.6
135.11745	0.4
149.13281	0.4
159.11790	0.5
166.02649	0.2
184.07343	100.0
185.07770	0.4
187.13351	0.3
195.13768	0.3
243.15910	1.2
269.17557	0.8
287.18454	1.4
305.84787	0.3
313.27289	2.1
481.38898	5.6
496.33856	0.2
507.40240	0.5
525.41589	1.4
553.73657	0.2
690.46790	0.7
722.49658	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	723.4297
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
55.05506	0.9
57.03437	1.8
57.07079	3.4
60.08158	1.9
61.02940	3.7
67.05512	3.0
69.03431	2.2
69.07072	1.3
69.32809	1.1
69.33212	3.2
71.04996	0.6
71.07372	1.2
71.08627	2.3
73.02921	3.7
79.05502	1.9
81.03424	1.5
81.07062	3.4
83.08639	1.2
85.02903	3.6
85.06607	0.5
85.10181	1.6
86.09713	9.1
87.10036	1.8
91.03956	2.0
91.05482	1.0
93.07045	2.0
95.08624	4.1
97.02905	2.8
97.10223	0.6
98.21538	1.0
98.98496	1.2
99.04456	0.8
101.02384	2.2
104.10743	0.7
105.07008	0.5
107.08583	1.4
109.02879	0.6
109.10210	1.6
119.08566	0.9
121.10143	1.3
125.00021	6.8
126.54906	0.6
127.03935	1.1
133.10077	0.7
135.11723	2.9
145.10150	1.2
150.05533	0.5
163.11192	2.7
181.12283	0.6
184.07361	31.9
184.42316	0.5
185.07716	4.5
227.12791	3.0
243.08423	1.5
249.11026	9.4
305.13651	1.5
313.27579	0.6
467.18939	11.7
471.15100	0.5
497.30939	5.9
561.37677	0.9
723.42822	100.0
724.43597	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	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
54.08821	0.6
55.01867	2.4
55.05515	20.1
56.68665	0.6
57.03445	8.5
57.07071	2.3
59.04985	1.0
65.03946	3.2
67.05509	77.8
69.03429	7.7
69.07067	15.4
69.28130	2.2
69.28553	4.1
71.04602	1.1
71.04999	22.5
71.08615	0.7
73.02873	0.8
79.05497	40.2
81.02938	0.7
81.03426	21.0
81.07062	100.0
82.07363	0.8
82.87330	0.7
83.04984	17.4
83.08628	8.6
85.02896	3.9
85.06560	7.4
86.09714	2.0
87.04497	0.9
91.04909	1.2
91.05486	34.2
93.07048	47.0
95.04967	7.7
95.08614	33.1
97.02892	6.4
97.06530	7.0
97.10143	3.5
98.20808	1.6
99.04462	3.1
99.08089	2.0
105.04514	0.8
105.07040	24.4
107.04943	2.3
107.08603	23.9
107.09303	1.5
109.02891	3.3
109.06541	3.0
109.10165	15.3
111.04464	2.7
111.08100	2.8
117.07013	7.1
119.08587	13.1
121.06544	1.2
121.10155	18.1
123.08079	1.8
123.11710	13.6
125.00016	2.0
125.09619	1.1
127.03970	2.8
128.06285	1.0
129.05502	6.1
129.07033	3.4
131.08568	9.8
133.06503	0.9
133.10139	22.3
135.08105	1.6
135.11700	10.9
137.13367	0.7
139.11258	0.9
143.08586	3.1
145.10114	7.1
147.11710	6.9
149.09645	0.9
149.13261	8.3
151.11188	6.4
155.08589	1.6
157.06534	1.1
157.10184	3.0
159.08138	0.8
159.11707	8.9
161.13309	3.1
163.11230	0.8
163.14825	1.1
165.12805	1.1
169.12273	1.4
171.11760	2.0
173.04497	8.5
173.09586	1.0
173.13310	3.2
175.06133	1.0
175.11171	1.6
175.14897	1.9
177.12744	3.4
179.14369	1.3
183.11766	1.3
183.13893	3.0
184.07314	7.3
185.07748	1.3
185.13283	1.5
187.11780	1.1
187.13348	5.5
187.14888	1.9
193.12289	1.1
195.12039	1.2
195.13921	2.5
201.14891	2.6
209.15381	1.0
211.14983	1.0
213.14825	0.8
225.14952	1.6
227.16431	1.5
229.14314	1.1
236.56772	0.7
243.16025	3.7
243.21046	1.2
257.17496	1.4
259.20599	1.2
261.22067	3.4
267.15903	1.1
269.17523	7.7
301.20352	2.2
317.24725	1.4
335.25809	29.9
339.18137	2.3
369.24438	2.1
413.21872	3.0
437.34253	1.4
443.27939	0.9
445.24429	5.3
461.28766	1.6
479.30643	0.9
485.36520	1.1
503.37341	43.4
504.37637	2.0
505.38773	7.2
517.38995	4.8
529.38947	12.1
529.46234	1.1
559.39697	0.9
561.41577	45.4
577.40948	0.9
637.41431	1.6
647.41772	1.5
655.42419	1.5
669.43274	0.9
673.43079	6.3
687.44971	1.5
691.43750	1.1
705.45691	12.4
723.46155	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01860	2.3
55.05516	18.6
57.03436	8.0
57.07066	1.9
59.04997	1.6
65.03919	3.5
67.05508	68.2
69.03436	9.1
69.07071	14.6
69.43116	2.8
69.43507	7.7
71.04994	21.3
74.37077	1.1
79.05498	38.3
81.03425	22.1
81.07060	100.0
83.04983	12.8
83.08617	10.5
85.02896	3.9
85.06557	8.2
91.05485	35.0
93.07047	43.6
93.25211	1.1
95.04958	3.6
95.08607	32.6
97.02892	4.7
97.06519	6.7
97.10161	3.6
99.04452	2.0
99.08074	1.3
103.05518	1.3
105.04524	2.4
105.06390	2.0
105.07036	22.1
107.04958	2.0
107.08598	24.3
109.02858	3.4
109.06544	3.0
109.10159	14.9
111.04425	3.1
111.08073	2.6
115.05457	1.2
117.07027	7.2
119.08578	12.1
121.10141	15.8
122.49784	1.3
123.08084	1.6
123.11719	12.9
125.09669	1.1
127.03928	1.9
129.05476	5.9
129.06966	3.9
131.08575	11.6
132.90784	1.3
133.10147	17.7
135.11725	10.8
137.13235	1.3
141.07068	1.3
143.08563	2.5
145.10120	7.4
147.11696	6.2
149.09648	1.5
149.13254	8.2
151.11162	5.8
155.08508	1.2
157.10124	3.3
159.11703	9.3
161.13214	4.5
163.14775	1.7
169.12238	1.9
171.11667	1.8
173.04492	8.8
173.13208	3.5
175.11172	2.5
175.14841	1.7
177.12738	4.9
183.11684	1.4
183.13776	2.6
185.13315	2.3
187.13269	6.4
195.13803	4.5
198.39880	1.1
201.14854	3.9
243.15891	4.3
243.21095	2.7
257.17432	1.6
259.20804	1.2
261.22165	3.7
269.17517	8.0
301.20190	3.2
333.24377	1.5
335.25803	34.0
339.18076	1.5
351.23038	1.6
369.24304	2.7
395.79419	1.2
398.72253	1.2
411.32886	1.4
413.21643	3.0
429.33960	1.4
434.07980	1.2
443.27335	1.3
445.24030	8.3
461.28549	2.0
503.37344	55.0
504.38028	1.5
505.38806	4.7
513.96954	1.2
517.38794	4.9
529.39014	16.8
559.39935	1.5
561.41534	61.0
562.41669	4.1
565.13379	1.3
629.39502	1.2
673.43115	8.8
691.43542	2.1
705.45850	14.7
712.79114	1.2
726.50928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56525	0.8
53.03956	5.2
55.01873	2.9
55.05513	23.1
57.03445	7.9
57.07067	2.9
59.05000	1.5
64.23190	0.9
65.03945	4.6
67.05509	74.5
69.03439	7.8
69.07072	15.7
69.81623	2.3
69.82018	1.9
71.04997	20.5
78.63560	0.8
79.05498	41.3
81.02991	1.8
81.03427	20.4
81.07062	100.0
83.04989	14.9
83.08620	11.5
85.02885	4.1
85.06552	7.7
86.09726	1.1
87.04466	1.5
91.05489	36.1
93.07051	41.6
93.07641	2.1
94.07381	1.0
95.04972	6.6
95.08615	33.8
97.02884	4.1
97.06517	6.8
97.10157	1.2
99.04478	3.1
99.08105	2.6
100.04657	1.1
105.07035	23.2
107.04965	1.4
107.08605	24.0
109.02883	4.0
109.06542	4.3
109.10165	17.2
111.04459	3.7
111.08070	4.5
115.05503	1.2
117.07008	8.5
119.08589	13.9
121.06468	1.5
121.10154	18.0
123.04426	1.2
123.08071	3.3
123.11727	13.6
125.09628	2.2
127.03934	3.0
128.06218	0.9
129.05476	5.3
129.07007	3.9
131.08578	14.3
133.06537	1.4
133.10136	19.6
135.11703	11.2
137.09615	1.2
139.11195	1.7
141.06996	1.7
143.08582	2.9
145.06558	1.0
145.10123	6.9
147.07980	1.3
147.11679	8.8
149.09590	1.5
149.13271	8.6
151.11189	6.2
153.12805	1.3
155.08539	2.3
157.10110	4.4
159.11711	11.2
161.09657	1.0
161.13289	4.0
163.11151	1.4
163.14873	2.3
165.12735	1.4
169.10146	2.1
171.11655	2.1
173.04482	7.2
173.13269	4.0
175.11148	2.0
175.14868	1.6
177.12772	3.5
179.14247	1.0
183.11719	2.4
183.13823	2.8
184.07378	2.8
185.09602	1.0
185.13268	2.5
187.13297	6.5
187.14812	1.8
189.12729	1.3
191.10672	1.3
193.12207	1.4
195.11760	1.0
195.13829	3.3
199.14749	1.4
201.14832	2.8
225.14862	2.1
227.16434	3.6
229.14410	1.5
241.17969	1.6
243.15907	3.7
243.21170	1.3
256.26190	1.1
257.17413	1.5
259.20572	1.5
261.22195	3.6
263.23901	0.9
267.15854	1.7
269.17499	9.0
279.23029	1.0
291.19693	0.9
301.20139	1.9
315.23181	1.6
317.24829	2.2
335.25815	19.1
339.18106	2.4
345.24164	1.7
351.23102	1.6
363.25214	1.5
369.24146	2.9
387.25302	1.4
411.32748	1.5
413.21573	3.3
437.34402	1.5
443.27896	1.6
445.24316	6.1
461.28882	2.3
479.29996	1.3
485.35986	2.6
486.10849	1.0
503.37363	37.7
504.37656	1.1
505.38837	12.9
517.38812	4.4
529.39020	15.9
543.36627	1.2
561.41608	38.8
562.42035	1.2
629.41272	1.0
637.41052	1.4
639.99445	1.0
647.41339	1.8
655.42297	1.7
673.42932	7.3
691.43518	1.6
705.45941	10.5
721.69489	1.1
723.45319	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62068	0.4
50.66436	0.3
53.03935	1.4
53.12834	0.3
53.84201	0.3
55.01876	3.2
55.05514	10.6
56.16222	0.3
57.03445	3.7
59.05000	0.5
60.08163	0.4
61.02925	3.2
65.03929	0.7
67.05509	17.7
69.03434	4.3
69.07075	12.6
71.04993	2.9
73.02917	1.5
79.05497	14.1
81.03425	9.3
81.06589	0.8
81.07059	15.6
82.83787	0.3
83.04987	3.6
83.08630	5.7
85.02914	5.2
85.06537	1.0
86.09737	2.1
91.03953	2.8
91.05491	10.9
93.07049	12.0
95.01312	0.4
95.04975	6.0
95.08613	6.6
97.02292	0.7
97.02896	7.9
97.06536	2.7
97.10178	8.0
99.04453	0.7
105.07032	7.7
107.04964	4.6
107.08601	9.9
107.40417	0.4
109.02876	1.1
109.06525	1.8
109.10165	7.5
111.04444	1.5
111.08086	2.1
117.07014	3.9
119.04945	0.7
119.08595	6.9
121.06493	1.9
121.10150	4.4
123.04441	0.8
123.08070	1.6
123.11720	1.0
125.00004	1.3
125.06004	0.5
125.09644	6.4
127.03909	1.8
129.06981	2.2
131.08568	5.2
133.06490	1.5
133.10144	6.7
134.07259	0.5
135.08023	2.2
135.11740	2.8
137.05911	0.4
137.09624	1.0
139.11215	0.5
142.07788	0.4
143.08569	2.0
145.04958	0.7
145.06503	1.0
145.10147	3.3
147.08041	3.3
147.11717	2.4
149.09630	2.1
149.13289	1.2
151.11174	2.1
153.09148	0.9
153.12767	0.6
157.10118	2.6
159.08023	0.8
159.11720	1.7
161.09657	1.3
161.13268	0.4
163.06035	1.3
163.11156	2.9
165.09135	1.1
167.14288	0.4
169.10100	0.5
169.12291	0.8
171.10321	0.5
171.11720	0.9
173.09676	0.8
173.11772	0.6
175.11208	2.0
177.12810	1.2
181.12299	1.1
184.07365	6.6
185.13278	0.7
189.11189	3.2
189.12711	0.7
191.10669	1.3
193.12267	4.8
195.13824	0.9
205.12253	1.2
209.11708	1.9
211.13249	1.8
212.80356	0.4
223.13300	10.3
227.12823	4.2
227.17897	0.7
229.14436	0.5
233.15451	0.8
237.16089	0.4
245.13794	0.5
249.14885	1.3
253.14398	2.4
265.14459	1.1
267.15930	4.1
269.17444	1.3
271.15436	1.0
273.18521	6.3
283.15298	2.4
285.14517	0.3
285.16992	11.2
291.19562	50.2
301.16681	0.8
301.19971	0.8
309.20486	0.6
347.22217	3.2
365.23248	100.0
366.23608	2.4
383.24286	0.9
429.21201	0.9
435.27432	0.4
451.27026	2.6
459.27411	3.2
465.28296	0.7
469.28009	1.0
475.27036	0.4
477.28574	7.1
491.25366	0.5
495.29526	3.8
509.25912	0.7
509.31250	1.4
527.28131	4.1
621.32623	0.4
724.44128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66539	0.7
53.03942	3.1
55.01880	3.5
55.05273	0.9
55.05516	11.9
56.24727	0.7
57.03190	1.0
57.03442	12.6
61.02926	2.0
61.91017	0.6
65.03941	1.3
67.05513	23.0
69.03443	4.1
69.07072	6.1
70.96362	1.0
70.96676	0.8
71.05004	4.1
79.05502	20.3
81.03429	82.5
81.07068	24.1
83.04999	9.2
83.08630	24.0
85.02431	1.0
85.02919	11.5
85.06535	2.1
91.05491	25.2
93.07063	15.9
95.04370	1.5
95.04980	30.1
95.08628	9.1
96.26568	0.7
97.02885	4.1
97.06551	3.7
97.10179	7.0
99.04429	1.2
99.08096	1.1
105.07045	20.6
107.04967	9.1
107.08614	9.7
109.02882	0.9
109.06541	5.3
109.10168	5.7
111.04456	2.9
111.08093	8.7
113.06010	2.1
115.05450	2.1
117.07045	3.3
119.04950	1.2
119.08605	19.2
121.06518	4.5
121.10154	9.5
123.04457	1.1
123.08091	3.3
123.11697	2.1
125.06002	1.0
125.09627	4.8
128.06195	1.2
129.07007	12.6
131.04944	1.5
131.08575	11.6
133.06483	2.2
133.10149	10.2
135.08061	2.7
135.11676	2.5
137.09581	2.4
141.06918	0.9
142.07768	3.2
143.08540	1.7
145.06493	3.0
145.10146	4.0
147.08080	5.2
147.11697	12.0
149.09648	8.1
151.11151	1.5
155.08595	0.9
157.06520	1.2
157.10147	15.0
159.08092	1.5
159.11693	1.0
161.06052	1.1
161.09651	1.1
163.11230	2.4
165.12804	3.3
169.10117	0.9
171.07974	1.0
171.10251	0.7
171.11702	1.1
173.09624	1.2
173.11830	1.2
175.11214	14.8
185.13287	0.8
189.11201	1.9
189.12712	1.1
191.10776	1.2
193.12268	38.5
195.11700	1.1
205.12262	1.3
207.08205	0.7
209.11740	1.1
211.13310	16.5
213.12862	0.8
217.14380	0.8
223.13295	0.9
227.12727	1.7
229.14305	2.2
231.13708	0.8
233.15372	1.0
235.13249	0.9
237.12820	0.7
237.14949	0.8
249.14813	1.6
255.13869	2.4
259.13330	0.9
267.15948	100.0
268.16187	2.0
273.14822	3.3
283.15366	6.8
285.17001	15.9
287.16522	0.8
305.42340	0.8
339.23187	1.4
341.21146	1.5
349.21368	3.7
357.24396	1.1
359.22134	1.0
365.22974	1.2
367.22696	8.2
385.23767	11.4
403.24722	3.4
405.24496	1.2
418.81879	0.8
433.25903	13.6
441.26501	7.6
459.27478	82.3
460.27618	3.1
477.28543	68.3
478.28983	2.7
495.29364	1.3
501.28766	1.5
509.26947	2.5
519.29535	1.3
569.33881	0.9
585.30743	1.3
621.32813	0.9
688.65283	0.9
724.35040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75218	0.5
55.01878	2.4
55.05516	9.7
57.03439	7.4
59.05006	0.7
61.02927	0.5
65.03929	0.8
67.05511	14.6
67.66519	0.5
69.03436	3.2
69.07073	4.5
69.86806	1.0
69.87202	1.2
71.05002	3.3
79.05497	15.2
79.93446	0.5
81.03426	59.9
81.07066	17.8
83.04994	7.0
83.08147	1.1
83.08631	15.8
85.02906	9.9
85.06559	1.3
91.03967	0.5
91.05491	17.8
93.07054	9.8
94.89705	0.4
95.04977	20.2
95.08615	6.7
96.08932	0.6
97.02892	2.8
97.06559	2.3
97.10180	5.1
99.08122	0.8
103.05482	0.5
103.22380	0.5
105.07039	14.5
107.04964	6.1
107.08607	6.6
109.06525	4.4
109.10175	3.5
111.04450	1.8
111.08089	6.7
111.86176	0.5
113.06004	1.5
115.05445	0.8
117.07028	3.1
119.04939	0.6
119.08594	12.1
120.08986	0.5
121.06490	2.6
121.10149	6.7
123.04456	0.9
123.08060	2.8
123.11736	2.2
125.05994	0.5
125.09640	5.5
127.07554	0.6
128.06183	0.7
129.07018	8.3
131.04904	0.5
131.08588	7.9
133.06522	3.2
133.09157	0.5
133.10138	8.1
135.08067	1.4
135.11736	1.4
137.09662	1.8
141.06995	0.6
142.07762	1.8
143.08562	1.4
145.06509	1.4
145.10135	2.3
147.04399	0.6
147.08119	2.8
147.09152	0.5
147.11707	8.9
149.09636	5.2
151.11186	1.7
153.09087	1.1
157.10138	10.1
157.11328	0.8
159.11693	0.7
161.06029	0.7
161.09622	0.7
163.11179	2.1
165.12772	2.1
169.10233	0.9
171.10255	0.6
171.11732	0.7
173.09631	1.2
173.11771	0.7
175.11209	10.9
177.12689	0.6
181.12355	0.5
184.07433	0.6
187.11203	0.9
189.11246	1.8
191.10683	0.9
193.12263	28.5
196.65335	0.5
199.11180	0.7
201.12704	0.5
209.11673	1.3
211.13321	17.0
211.15312	1.1
217.12375	0.7
223.13243	0.6
227.12807	1.9
229.14209	0.6
233.15388	1.2
241.14366	0.6
249.15024	0.5
267.15948	41.0
268.16263	1.5
273.14911	2.1
283.15402	2.3
285.17001	20.6
301.16833	0.6
317.15833	0.7
339.23212	0.7
349.21628	1.3
357.24332	0.6
367.22699	5.6
385.23758	9.3
403.24750	4.1
419.26715	0.6
441.26483	3.3
451.26978	1.9
459.27448	61.2
460.27811	1.4
475.27097	0.7
477.28516	100.0
478.28754	3.0
495.29523	1.9
501.28751	0.7
509.30933	2.0
519.29791	1.4
527.28009	0.8
573.30774	0.8
585.30688	0.6
603.31201	0.5
621.32452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01872	1.7
55.05519	10.1
57.03442	4.3
57.07076	2.1
59.05012	1.8
61.02925	3.6
65.03939	1.7
67.05512	55.3
69.03442	2.8
69.07073	5.8
69.22636	1.4
69.23048	4.3
69.64995	0.5
71.05003	45.8
73.02927	0.6
79.05505	16.8
81.03432	2.4
81.07067	100.0
81.70469	0.6
83.04990	7.4
83.08630	7.9
85.02914	2.7
85.06555	10.8
87.04490	1.2
91.03978	1.1
91.05492	31.4
92.05865	0.7
93.07052	21.7
95.04989	2.3
95.08618	9.7
97.02914	1.9
97.06543	7.2
97.10204	1.2
97.98943	0.6
98.40492	0.6
99.04476	0.9
99.08123	2.1
105.07046	14.9
107.08612	14.8
109.06535	2.1
109.10173	8.3
110.10533	0.5
111.08078	3.3
117.07050	3.1
117.85894	0.5
119.08598	1.6
121.10165	5.7
123.08065	1.6
123.11723	21.8
125.09686	1.3
127.03981	1.2
131.08601	5.6
133.09129	1.5
133.10147	29.1
134.10493	0.9
135.11714	6.3
139.11205	0.7
145.10182	0.7
147.11717	1.2
149.09663	1.2
149.13261	8.1
151.11205	14.8
159.11713	9.0
165.12849	0.6
167.14299	0.7
169.12321	2.5
177.12766	3.3
183.13837	9.8
183.15375	0.9
187.13329	5.9
195.13817	4.4
201.14937	0.8
205.81018	0.6
209.15390	0.6
225.14960	2.8
227.16525	1.0
243.15955	0.7
257.17526	2.7
267.15918	1.1
269.17459	4.9
283.19095	1.4
285.16983	1.3
301.20123	22.7
391.28513	0.6
411.59872	0.6
419.28015	0.7
425.28949	5.5
425.33978	0.8
437.29105	3.4
445.29932	0.8
451.30655	7.5
463.30637	8.9
469.31677	76.7
470.32361	2.3
477.32431	1.2
483.33316	9.3
495.33234	63.1
496.33685	1.5
507.36215	0.7
527.35852	69.7
528.36285	2.5
639.37769	2.1
724.39648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03950	6.4
55.01863	3.2
55.05519	20.1
57.03194	2.1
57.03445	22.6
57.07078	2.8
61.02925	5.8
65.03954	2.9
67.05510	68.8
69.03427	2.8
69.07081	15.3
71.04981	4.5
71.08636	2.4
73.02920	1.8
79.05077	2.4
79.05506	46.9
81.03428	97.0
81.07066	60.0
83.04973	4.8
83.08624	24.0
85.02902	6.8
85.06579	3.6
91.05490	38.2
93.07053	55.0
95.04977	25.8
95.08064	3.2
95.08618	42.4
97.02886	3.6
97.06534	4.9
97.10181	7.1
105.04499	2.0
105.07037	26.1
107.04967	8.0
107.08609	26.6
107.69981	1.8
109.06543	6.5
109.10165	21.0
111.08084	7.3
115.05476	2.7
116.35634	1.8
117.07047	6.7
119.08593	21.2
121.06536	4.2
121.10159	26.0
123.04454	1.9
123.08047	3.7
123.11715	6.0
125.09649	3.8
126.38556	1.5
127.03914	2.0
129.07024	8.4
131.08600	16.8
133.06549	4.2
133.10135	13.8
135.08131	1.7
135.11710	13.4
143.08568	2.0
145.06497	2.1
145.10129	7.9
147.08083	2.6
147.11711	14.6
149.09596	5.2
149.13243	6.3
151.14844	1.8
157.10158	8.2
159.11700	5.6
161.13274	5.7
163.11208	3.5
163.14827	4.0
164.89522	1.6
165.12733	2.0
173.13284	4.8
175.11221	11.3
175.14830	3.8
177.12798	1.9
184.07397	2.2
187.14861	2.7
188.11015	1.8
189.11282	2.4
193.12244	19.7
199.14975	1.9
227.12801	5.0
230.30608	1.8
235.13184	2.7
243.21152	4.7
249.14886	3.9
261.22177	19.2
267.15955	95.5
279.23318	1.8
299.23376	1.7
301.25354	5.7
306.84286	1.7
309.16943	3.5
317.24661	3.4
321.85596	1.6
335.25842	100.0
336.26169	2.9
409.10037	1.9
435.32797	4.4
453.33606	5.0
471.34744	4.0
527.37427	46.9
528.37488	3.2
545.30573	2.2
545.38422	26.7
545.46442	1.4
569.38025	5.8
635.39319	1.9
696.36591	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34836	0.2
53.03932	0.2
55.05504	0.8
56.05016	0.7
56.28004	0.2
57.03423	0.3
57.07066	0.3
58.06609	0.4
60.08165	5.9
67.05508	2.1
69.03426	0.4
69.07066	0.6
70.06594	0.3
71.05004	0.2
71.07371	2.7
71.53159	0.3
79.05505	1.4
81.03407	0.8
81.07063	2.0
82.07381	0.5
83.04991	0.5
83.08632	0.2
86.09710	28.2
86.77417	0.2
87.10040	0.3
91.05478	0.9
92.76907	0.2
93.07051	1.2
95.04958	0.4
95.08593	1.0
97.02880	0.4
97.06518	0.3
98.98468	3.0
104.10751	2.3
105.07050	0.8
107.04964	0.4
107.08579	0.8
109.02829	0.3
109.10149	0.6
117.06993	0.4
119.08598	0.5
121.06492	0.2
121.10143	0.8
125.00013	19.2
131.08630	0.4
133.10152	0.5
135.11664	0.5
137.54979	0.3
143.08743	0.2
147.11681	0.3
152.44704	0.2
157.10104	0.2
159.11716	0.2
164.45940	0.2
170.21649	0.2
184.07350	100.0
185.07637	0.8
209.11688	0.3
228.13103	0.3
276.03922	0.2
335.25912	0.5
336.26343	0.3
445.20712	0.3
504.37094	0.3
544.36926	0.3
562.41052	0.4
688.45532	10.5
689.45599	0.4
706.42548	0.4
724.35962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01865	7.6
55.05268	2.3
55.05515	23.0
56.05037	1.5
56.12896	1.4
57.03444	15.7
57.07056	1.4
58.56632	1.2
61.02931	9.9
65.03934	2.4
67.05508	60.7
67.38657	1.2
69.03431	12.0
69.06734	1.6
69.07074	18.3
71.04998	8.3
73.01146	2.3
73.02921	5.1
77.52802	1.2
79.05075	2.8
79.05499	40.7
81.03419	34.6
81.07059	70.8
83.04984	10.0
83.08159	1.6
83.08620	18.6
85.02905	16.8
85.06537	5.9
86.09687	2.9
87.04470	1.6
87.40758	1.2
91.03967	8.0
91.05482	39.3
92.05824	1.6
93.07045	46.8
95.04966	16.2
95.08610	29.6
97.01099	5.2
97.02889	10.2
97.06544	16.9
97.10184	7.7
99.04433	2.1
99.08096	3.4
105.07040	27.9
107.04974	11.0
107.08596	30.9
109.02874	2.2
109.06507	8.9
109.10161	17.0
111.04423	4.6
111.08087	7.6
117.07025	12.9
119.08583	22.0
121.06477	6.4
121.09430	1.8
121.10166	16.6
123.08087	4.1
123.11707	5.5
125.09634	6.0
127.03905	6.1
129.05487	1.5
129.07045	7.0
131.08577	16.9
133.06477	3.2
133.10133	21.3
135.08063	6.6
135.11687	19.0
137.09601	3.0
139.07561	1.5
141.06958	1.8
143.08533	1.8
145.04962	3.6
145.06435	1.8
145.10130	14.0
147.08032	3.5
147.11693	12.5
149.09619	8.4
149.13264	14.3
151.11150	5.4
153.12737	1.7
155.08549	1.9
155.10547	1.5
157.10130	8.0
159.11699	22.5
161.09618	1.6
161.13237	3.5
163.06015	5.0
163.11139	9.0
165.12805	2.5
168.81891	1.4
169.10153	1.7
169.15395	1.4
171.10213	1.8
171.11723	4.0
173.04437	3.3
173.13257	5.2
175.11208	4.6
177.12743	20.3
177.54593	1.5
179.14380	6.7
181.12242	2.1
183.11713	2.3
184.07333	6.1
187.11224	1.5
189.11220	2.7
193.12224	10.2
195.13788	8.2
197.13284	2.2
209.11797	1.7
211.13257	4.8
219.13817	4.7
227.12741	6.4
229.14325	8.1
233.15375	1.9
239.17957	2.3
243.15823	6.7
247.20561	2.0
251.16399	6.3
255.15942	39.1
257.18991	5.1
260.38141	1.5
267.15930	23.8
269.17480	100.0
271.45187	1.9
275.20081	18.0
283.13068	2.3
283.15784	2.4
285.17017	4.6
287.18539	1.7
293.17453	4.5
309.20462	1.6
349.23752	58.1
367.24899	24.9
401.21585	2.1
413.21533	4.0
417.21341	1.6
421.25726	2.2
431.22650	1.8
435.27267	4.3
439.26630	2.4
447.27612	2.6
459.27356	6.5
461.28983	36.3
475.25272	5.8
477.28210	5.7
479.29669	11.5
493.26587	15.2
511.28833	15.7
514.68561	1.7
529.29956	1.8
726.33777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01875	7.0
55.05274	1.4
55.05514	18.5
57.03436	17.1
57.07069	2.1
61.02933	11.6
65.03933	3.1
67.05506	54.9
69.03436	9.5
69.07069	23.6
71.04993	8.5
71.53030	1.7
73.02909	5.5
77.91663	1.5
79.05077	2.5
79.05498	38.2
81.02995	2.2
81.03424	29.9
81.07056	65.1
83.04974	14.2
83.08618	15.3
85.02905	17.6
85.06568	6.9
91.03967	10.2
91.04446	1.3
91.05485	35.5
93.06490	2.7
93.07048	46.7
95.04967	20.5
95.08609	21.5
97.01122	3.5
97.02886	12.3
97.06533	15.0
97.09609	1.4
97.10134	7.2
97.53248	1.5
99.04440	2.3
99.08083	3.8
105.07029	26.5
107.04975	9.1
107.08596	27.1
109.02885	1.9
109.06512	10.9
109.10164	15.0
111.04447	1.5
111.08057	6.8
117.07025	13.1
119.08581	22.3
121.06500	7.5
121.10135	16.5
123.08038	4.4
123.11693	5.3
125.00061	1.5
125.09649	6.8
127.03923	4.0
129.06989	6.2
131.08575	20.0
133.06479	2.3
133.10135	21.2
135.08040	5.7
135.11691	18.0
137.09595	4.5
142.07758	1.8
143.08514	4.1
145.04950	3.1
145.06476	1.7
145.10127	12.3
147.04430	2.7
147.08000	2.3
147.11708	9.7
149.09602	11.5
149.13228	11.9
151.11165	3.5
153.09050	1.7
157.10112	6.3
159.11697	20.5
161.13246	3.6
163.06003	2.8
163.11131	9.3
171.11679	2.0
171.31699	1.4
173.04466	3.4
173.09547	1.5
173.11815	2.1
173.13269	5.4
175.11194	6.7
177.12770	21.5
179.03397	1.4
179.14288	6.3
181.12276	3.0
183.11626	2.5
184.07343	7.5
187.14799	1.9
189.11192	1.8
191.10547	2.2
191.14240	3.1
193.12207	9.5
195.13780	7.6
197.13281	1.8
203.14290	1.4
209.11641	1.8
211.13217	4.5
215.14317	1.4
219.13857	3.5
227.12801	4.4
229.14378	6.9
229.19411	1.9
239.17960	2.9
243.15964	5.3
251.16443	6.4
255.15933	37.0
257.19016	6.0
267.15903	22.4
268.16333	2.3
269.17484	100.0
275.20026	16.1
283.13107	2.3
283.15518	3.7
285.17075	1.6
293.17569	2.5
293.20889	1.7
309.20462	1.6
331.22678	2.0
349.23730	55.9
350.24503	1.5
367.24817	26.1
389.18216	2.2
413.21613	5.2
417.26144	1.9
421.25995	2.2
435.27322	6.2
439.27274	2.2
441.26233	1.7
443.27481	1.8
447.27322	4.1
457.25800	1.7
459.27673	7.9
460.27725	3.1
461.28949	35.3
475.25461	6.1
477.28326	6.0
478.28543	3.2
479.30151	11.2
493.26556	14.4
511.28720	15.9
519.11621	1.4
529.30011	3.5
655.31744	2.0
681.70343	1.6
697.36249	1.5
726.31903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
54.14132	0.8
55.01882	1.5
55.05519	15.1
55.05775	0.8
57.03191	1.1
57.03445	12.2
57.07072	1.6
61.02934	5.0
65.03933	2.2
67.05510	61.5
68.05798	0.9
69.03427	1.3
69.07075	17.6
71.04990	3.2
71.08630	0.7
73.02924	0.8
79.05499	41.0
81.03424	2.3
81.07064	79.2
81.82507	0.7
83.04985	3.2
83.08629	13.8
85.02911	5.5
85.06542	2.5
88.25289	0.8
91.03959	2.3
91.04917	1.0
91.05489	23.2
93.07053	52.7
95.04980	3.5
95.08615	33.8
97.02894	2.8
97.06546	5.5
97.10166	1.9
99.08078	1.6
105.04512	1.8
105.07040	11.8
107.08602	29.7
109.06509	1.3
109.10165	11.8
111.08071	4.6
117.07038	10.1
119.06060	0.8
119.08578	7.8
121.06504	1.4
121.10160	16.4
123.11705	6.9
125.00124	0.6
125.09635	1.7
127.03901	0.9
127.61933	0.7
131.08580	11.0
133.10149	14.6
135.08069	1.7
135.11702	13.4
137.13290	0.9
145.10155	4.4
147.11728	4.2
149.13274	15.0
151.11165	1.4
157.10252	0.8
159.11696	8.6
161.13300	3.2
163.14812	1.8
165.12831	0.8
167.14415	0.8
173.13330	2.0
175.14941	1.6
177.12743	4.2
187.14880	1.7
195.13823	10.7
213.14857	1.6
227.64316	0.8
229.15131	0.8
243.21201	2.6
258.77542	0.8
261.22177	8.6
267.16010	1.8
269.17499	76.7
270.17807	1.7
317.24557	3.5
335.25833	86.0
336.26117	2.0
383.60095	0.8
419.32932	0.9
437.34262	2.5
455.35260	1.4
511.37674	1.4
519.35956	0.8
529.38940	100.0
530.38977	3.7
547.39990	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	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01860	1.4
55.05513	12.6
57.03441	11.2
57.07081	3.0
61.02896	1.7
63.72572	0.6
65.03915	1.7
67.05508	53.4
69.03403	1.1
69.07068	14.6
70.25342	2.0
71.05000	3.9
72.68899	0.6
73.02893	0.8
77.03902	0.8
79.05495	29.9
79.92901	0.6
81.03426	1.2
81.07058	60.0
83.04984	3.2
83.08624	9.8
85.02876	2.1
85.06565	3.0
91.03953	1.4
91.05486	17.4
93.07047	49.6
95.04932	2.9
95.08613	25.8
97.02863	1.5
97.06011	0.6
97.06530	6.9
97.10152	2.4
99.08047	1.5
105.07042	9.6
107.08599	25.5
109.06487	0.9
109.10152	9.3
111.08067	3.8
117.07021	5.5
119.08587	6.8
121.06494	0.7
121.10149	19.8
123.08006	1.1
123.11689	3.5
131.08568	7.4
133.10146	7.5
135.08054	0.7
135.11678	9.5
137.13257	0.9
139.11134	0.9
145.10094	2.9
147.11720	3.9
149.13257	21.1
154.98283	0.8
159.11719	9.6
161.13237	2.1
163.14775	1.8
173.13242	2.5
175.14854	1.0
177.12721	3.6
187.14815	1.0
195.13814	9.1
195.58774	0.6
200.76814	0.7
212.84816	0.6
213.14886	1.0
243.21126	2.9
261.22144	9.2
267.15897	1.7
269.17484	92.1
270.17899	2.0
291.47064	0.6
317.24765	2.0
335.25803	56.2
336.26111	1.6
368.76987	0.7
437.34485	2.1
511.38168	1.0
529.38898	100.0
530.39301	5.1
547.40002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96461	0.2
55.05499	0.8
56.05023	0.9
57.03439	0.5
58.06605	0.4
60.08169	6.9
67.05509	2.5
69.03413	0.2
69.07062	0.8
71.04958	0.2
71.07376	3.4
71.08605	0.2
79.05509	1.2
81.03431	1.1
81.07065	2.0
83.04964	0.2
83.08627	0.7
86.09711	32.4
87.14088	0.2
91.05491	1.2
93.07071	1.4
95.04984	0.6
95.08591	1.5
97.10152	0.3
98.98471	3.6
104.10755	2.3
105.07043	0.5
107.08604	0.9
109.10178	0.7
117.07037	0.3
119.08574	0.4
121.06487	0.3
121.10156	0.6
125.00016	22.6
125.09607	0.3
131.08554	0.4
131.85246	0.2
133.10147	0.8
135.11710	0.5
143.00941	0.2
145.10095	0.2
149.13287	0.3
150.27040	0.2
163.11247	0.3
164.87645	0.2
166.02750	0.3
173.13258	0.2
184.07352	100.0
185.07671	0.2
210.06444	0.2
213.16455	0.2
217.32666	0.2
227.12715	0.2
261.22079	0.2
271.15445	1.2
324.64944	0.2
335.25839	1.7
372.35123	0.2
502.76703	0.2
503.37314	1.5
531.37048	1.1
545.38763	0.3
622.76953	0.2
728.45087	8.7
729.46381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91851	0.8
53.03942	2.3
53.54694	1.0
53.83854	0.9
55.01870	3.6
55.05513	10.1
57.03447	7.8
57.07077	2.0
61.02922	2.0
64.52882	0.9
65.03936	1.5
67.05508	42.1
69.03427	2.3
69.07077	14.0
69.33082	2.2
69.33484	7.4
71.04987	3.8
72.64572	1.0
73.02912	1.0
75.28832	0.9
77.03913	0.9
79.05495	21.8
81.03427	5.4
81.07066	41.5
83.04997	5.9
83.08608	5.8
85.02905	2.4
85.06532	4.2
91.05490	26.6
93.07051	25.8
95.04990	5.9
95.07998	1.1
95.08613	18.9
97.02863	1.7
97.06559	2.5
97.10169	3.2
98.20708	1.5
99.04464	2.2
99.08105	1.0
101.56445	0.9
103.17946	1.1
105.07041	25.2
107.08606	26.1
109.06542	4.6
109.10162	40.9
111.08051	0.9
113.06012	2.4
115.58673	0.9
117.07026	3.5
119.08586	8.2
121.06522	0.9
121.10148	7.2
123.08029	1.8
123.11710	9.7
127.07568	2.2
131.08580	4.8
133.10141	47.5
135.11717	5.0
137.13257	1.1
143.08551	2.0
145.10133	3.7
147.11685	2.5
149.13252	3.3
151.11194	23.7
157.10136	1.2
159.11711	1.3
161.09648	2.0
161.13255	1.2
165.23459	1.0
169.12260	3.5
173.13252	2.3
177.16396	1.3
179.10683	2.4
184.07379	3.4
215.12859	1.9
243.21083	2.9
249.60124	1.0
253.14369	100.0
254.14772	1.4
258.00000	1.0
261.22092	10.7
271.15436	33.7
279.23077	1.1
317.24625	1.3
335.25809	50.0
457.32953	2.7
503.37408	9.2
513.35626	7.1
531.36835	55.8
532.36938	2.2
549.37854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01874	3.6
55.05264	0.9
55.05512	8.5
55.13953	0.6
57.03440	5.5
57.07072	1.7
60.05645	0.8
61.02901	1.7
65.03924	1.6
67.05507	41.7
69.03424	3.7
69.07075	11.1
70.57915	1.5
71.04985	3.5
71.08628	0.6
77.03933	0.7
79.05498	19.6
81.03417	4.1
81.07060	37.3
81.38597	0.7
83.04989	6.0
83.08619	5.1
85.02896	2.1
85.06554	4.3
91.05483	25.8
93.07048	24.4
95.04967	4.8
95.08607	17.7
97.02892	1.5
97.06516	3.0
97.10150	1.8
99.04456	1.4
99.08099	0.8
100.27798	0.6
105.06322	0.8
105.07038	23.9
107.08595	24.8
109.06548	3.7
109.10160	38.2
111.08128	0.8
113.05994	2.0
117.07005	2.8
119.08564	6.2
121.10157	8.1
122.48229	0.5
123.08068	1.2
123.11708	8.6
125.03764	0.7
125.09635	1.2
127.07577	2.2
129.07033	0.8
131.08575	5.3
133.10135	43.5
135.11691	5.3
137.09561	1.2
137.13300	1.2
143.08562	1.5
144.85269	0.7
145.10155	3.4
147.11731	2.6
149.13255	2.5
150.11751	0.6
151.09978	1.4
151.11185	20.3
158.65108	0.6
159.11691	2.8
161.09622	1.8
161.13295	1.8
163.14799	1.5
169.12283	3.5
173.13231	2.3
177.16551	1.0
179.10698	1.0
184.07347	2.0
187.14876	0.8
197.11639	0.9
215.12772	2.3
216.37544	0.6
223.13257	0.7
243.21039	3.2
253.14363	100.0
254.14656	1.7
261.22159	11.2
271.15411	37.3
279.23145	1.0
317.24863	1.1
335.25806	35.8
337.07809	0.6
439.31958	1.7
457.32932	1.7
503.37244	6.2
513.35736	10.4
531.36829	40.7
532.37152	1.5
549.38049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.7
53.03955	2.6
55.01885	1.0
55.05518	16.5
57.03442	12.2
57.07077	2.4
60.32764	0.6
61.02923	4.6
65.03944	1.0
67.05510	55.9
69.03415	0.8
69.07073	17.6
71.04976	3.4
71.08644	0.8
73.02922	1.7
73.06602	0.9
77.03920	0.9
79.05501	21.9
81.07063	63.7
82.37785	0.6
83.04994	1.3
83.08620	11.6
85.02914	3.6
85.06554	6.8
86.69080	0.7
91.03963	2.4
91.05487	11.2
93.07051	25.8
93.07647	1.4
95.04992	1.2
95.08613	95.8
96.08961	0.8
97.02884	2.1
97.06544	5.8
97.10173	4.3
99.08105	2.6
100.40588	0.7
105.07037	9.3
107.08610	13.4
109.06545	1.1
109.10166	26.6
111.08080	1.3
111.11752	0.8
113.09646	0.7
115.07462	0.9
117.07047	3.2
119.08577	10.0
121.10157	11.5
123.08096	1.5
123.11681	3.2
128.05115	0.6
131.08591	4.8
133.10147	8.8
135.11705	8.3
137.09648	1.8
137.13264	4.3
145.10120	3.4
147.11696	3.2
149.13257	4.8
151.14859	1.3
159.11716	2.5
161.13264	13.8
163.14832	2.6
173.13284	2.9
176.86844	0.6
179.14311	6.4
184.07384	0.8
187.14851	1.2
197.15346	2.7
201.16214	1.0
215.16425	2.7
243.21141	3.4
261.22165	11.1
269.17462	3.5
271.19058	100.0
272.19321	1.3
277.67874	0.7
297.29520	0.7
317.24625	2.8
335.25821	79.1
336.26102	1.9
377.40060	0.9
439.35510	1.2
457.37024	1.0
513.39148	1.6
531.40503	85.3
532.40631	3.3
549.41327	3.0
727.44818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01875	0.3
55.05511	0.8
57.03439	1.2
57.67599	0.2
61.02644	0.4
61.02930	4.2
61.05034	0.2
67.05506	4.5
69.03439	2.4
69.07070	0.6
69.94938	0.3
70.56987	0.7
71.04999	6.0
71.14999	0.3
73.02922	2.6
79.05497	1.8
83.05010	0.5
83.08615	0.7
85.02910	4.7
85.06544	0.4
87.04507	0.4
91.03968	2.8
91.05476	2.9
93.07045	2.5
95.08627	1.0
97.02896	3.1
97.06549	1.1
99.04470	0.7
101.02408	1.5
103.03944	0.4
105.07054	1.7
107.08615	1.5
108.13259	0.3
109.02892	0.6
109.10176	0.5
111.08106	0.4
117.07024	0.7
119.08577	0.3
121.10184	0.7
123.11741	1.3
125.09618	0.3
127.03918	1.4
131.08578	0.8
133.10153	3.1
135.11708	0.6
149.13264	1.0
151.11174	1.5
159.11752	1.5
169.12418	0.3
177.12808	0.6
183.13840	1.3
184.07320	0.3
185.04211	0.3
187.13319	0.9
195.13797	0.4
203.05318	0.4
243.08418	2.7
243.16127	0.4
257.17383	1.2
267.15729	3.4
269.17557	0.5
301.20377	0.4
302.42618	0.3
323.18451	0.7
441.21170	0.6
453.21118	1.5
485.23593	15.6
486.23880	0.6
729.40320	100.0
730.40686	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	730.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30213	0.2
55.05506	0.6
56.05024	0.8
57.03430	0.6
58.06602	0.3
60.08168	6.0
62.48240	0.2
67.05504	2.4
69.07060	0.5
71.07369	3.4
71.52545	0.2
71.52893	0.2
79.05504	1.2
80.17267	0.2
81.03441	0.2
81.07063	2.0
83.04969	0.2
83.08625	0.3
86.09709	29.4
87.10021	0.3
91.05485	0.9
92.05811	0.2
93.07039	1.5
95.08604	1.3
97.10131	0.3
98.98471	3.2
104.10751	2.0
105.07050	0.7
107.08602	0.9
109.10163	1.0
109.45188	0.2
117.07002	0.4
119.08601	0.7
121.10173	0.8
125.00010	18.6
131.08604	0.3
133.10143	0.5
135.11699	0.7
143.01031	0.3
145.10161	0.5
147.11719	0.3
149.13330	0.3
155.03377	0.3
161.33258	0.2
179.03403	0.8
184.07347	100.0
185.07672	1.2
186.07915	0.4
203.03445	0.5
205.04979	0.5
221.04445	0.9
222.04846	0.3
224.60010	0.2
256.30832	0.2
267.75427	0.2
273.11047	0.2
273.16797	0.3
291.12378	0.6
317.13892	0.7
318.14273	0.6
335.25964	0.9
336.26273	0.3
359.15082	0.5
360.15219	0.3
377.16052	0.3
399.06155	0.2
451.20190	0.3
468.79254	0.2
533.38263	0.7
601.50836	0.3
712.41156	0.4
730.46454	7.7
733.10492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05510	1.5
57.03436	1.3
61.02934	5.5
67.05515	5.0
69.03425	3.4
69.07075	1.7
71.01377	1.4
71.05015	0.8
73.02924	3.9
79.05502	3.5
81.03427	1.8
81.07066	6.6
83.08636	1.3
84.04478	0.6
85.02923	4.6
91.03969	3.6
91.05495	2.1
93.07054	4.7
95.08618	4.0
97.02918	4.8
97.06569	0.5
99.04456	0.7
101.02390	1.6
103.03948	0.5
105.07030	1.0
107.08618	2.0
109.02914	0.9
109.10197	1.6
117.03011	0.4
117.07068	1.1
119.04918	0.5
119.08601	1.2
121.10175	1.5
122.06678	0.4
123.11737	0.4
127.03956	1.5
131.08585	0.7
133.10173	1.3
135.11694	1.1
147.04468	0.8
149.13330	1.5
154.66959	0.5
159.11731	0.5
184.07448	1.3
185.04382	1.0
191.93605	0.4
195.00371	0.6
195.13802	0.6
200.97766	0.4
235.13184	0.8
243.08488	1.8
269.17535	0.8
307.11176	0.4
318.99692	0.4
335.25690	0.8
414.59833	0.5
433.30859	0.4
441.37241	0.5
453.20865	4.0
519.29297	7.0
520.29779	0.5
731.43481	100.0
732.43524	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01874	0.5
55.05509	1.5
57.03444	1.7
61.02647	0.4
61.02933	4.8
67.05182	0.3
67.05515	5.3
69.03435	3.0
69.07079	1.5
69.24438	0.4
69.24841	2.1
71.01356	0.6
71.04967	0.6
73.02920	4.4
79.05060	0.4
79.05499	3.7
80.54578	0.2
81.03432	1.6
81.07065	5.8
83.04976	0.4
83.08627	1.0
85.02917	4.8
85.06535	0.3
87.04462	0.6
87.83665	0.3
91.03965	3.7
91.05493	2.2
93.07051	5.0
95.04958	0.4
95.08611	3.8
97.02901	4.5
97.06525	0.5
97.10176	0.3
99.04469	0.8
101.02405	1.5
103.03916	0.3
105.07034	0.8
107.08599	2.3
109.02894	0.9
109.10179	1.2
111.08105	0.4
115.04033	0.4
117.07027	0.5
119.08610	0.9
121.10149	2.4
123.11772	0.4
127.03916	1.4
131.08575	0.6
133.10172	0.5
135.11722	1.1
145.05031	0.3
145.10150	0.8
147.11705	0.6
149.13252	1.3
150.05002	0.3
159.11725	0.9
184.07355	0.7
185.04295	0.6
203.05296	0.4
232.20961	0.2
235.13010	1.2
243.08440	2.2
249.27222	0.2
261.22229	0.2
291.15833	0.5
295.37488	0.2
335.25964	0.4
424.15628	0.3
453.21039	4.1
502.15027	0.3
514.52197	0.3
519.29358	7.1
731.43457	100.0
732.43707	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	732.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31828	1.7
55.05524	10.0
56.05033	3.2
56.81812	1.5
57.07069	10.3
60.04531	71.3
61.07098	1.7
61.59494	1.6
67.05506	14.4
67.42614	1.5
69.04487	1.5
69.07067	12.1
69.36436	5.6
69.36851	6.9
70.06578	4.7
71.08640	4.3
72.04511	5.1
74.06076	2.5
79.05491	11.5
81.07056	20.6
82.06597	2.4
83.08647	8.5
86.09706	3.8
90.05566	3.3
91.05488	10.5
93.07057	10.2
94.06561	4.2
95.07326	1.9
95.08607	19.0
96.08133	3.3
97.10186	3.7
98.20807	4.0
99.84738	1.9
105.07052	7.8
107.08594	6.0
109.10149	5.3
119.08617	8.1
121.10160	6.7
123.08086	1.6
123.11736	2.3
124.99966	2.4
133.10109	4.0
135.11694	4.5
137.45659	1.8
144.04294	2.0
147.11710	2.9
161.13292	1.5
184.07315	11.1
207.97498	1.5
245.22816	3.8
262.25305	31.1
263.23810	5.3
272.25864	4.7
280.26346	23.2
298.27417	9.4
381.82291	1.9
427.66666	1.7
516.48169	2.7
534.48804	19.2
552.49933	100.0
553.49384	2.0
570.50940	41.2
606.97961	1.9
666.87360	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05526	1.1
57.03427	1.7
57.07086	0.6
61.02930	4.7
65.03963	0.6
65.33502	0.5
67.05498	5.1
69.03435	3.1
69.07068	1.4
71.04985	1.2
71.52533	0.8
73.02911	3.0
76.42243	0.6
77.68111	0.6
79.05494	2.6
79.47017	0.5
80.14619	0.5
81.03412	1.9
81.07054	5.5
83.08637	1.4
85.02905	4.1
85.06575	1.1
91.03951	2.5
91.05480	2.0
93.07041	2.8
95.04942	0.7
95.08620	6.7
97.02895	3.9
97.10162	1.1
99.04463	1.3
101.02390	1.6
105.07047	1.0
107.08606	1.1
109.02874	0.8
109.10162	1.9
119.08605	1.0
121.10164	1.5
123.11678	0.8
127.03934	1.0
133.10158	1.4
135.11691	1.3
137.12027	0.5
159.11887	0.6
161.13228	1.1
177.01137	0.6
184.07391	1.8
185.04510	0.6
237.14653	0.7
237.79852	0.5
243.08359	1.1
271.19019	0.5
295.90942	0.6
313.27460	2.0
335.25845	0.7
455.22696	5.9
479.37268	0.6
519.29321	4.6
537.41766	0.7
551.21674	0.6
644.61279	0.6
733.44965	100.0
734.45209	4.8
743.33270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01863	0.6
55.05503	0.3
57.03443	1.6
57.07071	0.2
58.99568	0.4
61.02940	2.0
63.93813	0.1
67.01855	0.4
67.05490	0.2
68.28472	0.1
68.99798	0.2
69.03438	5.1
69.07058	0.4
69.09661	0.1
69.50923	1.0
70.06590	0.1
71.01342	0.2
71.04993	0.7
71.58138	0.1
71.62128	0.1
72.08146	0.2
73.02924	0.7
76.01846	0.2
76.02238	2.8
79.05495	1.0
80.47449	0.1
81.03428	2.5
81.06598	0.2
81.07066	4.3
83.01343	0.4
84.04512	1.6
85.02914	13.5
86.42403	0.1
86.99056	0.3
87.04476	1.2
91.03961	0.8
93.07031	0.2
95.04964	0.3
95.08624	0.3
97.02905	5.3
99.04443	0.9
107.04958	0.2
109.02905	1.9
110.09696	0.2
113.02374	0.2
113.04221	0.4
114.05517	0.2
115.03956	0.2
116.01685	0.9
121.06533	0.1
123.04481	1.0
123.08035	0.2
124.84402	0.1
127.03934	2.8
130.05013	0.6
130.06895	0.8
130.08669	0.2
131.04915	0.4
135.04369	0.4
135.08063	0.4
137.02328	0.2
139.03900	0.9
142.03255	0.3
142.04985	0.2
144.01192	0.5
145.04977	2.3
147.04419	0.2
149.05972	0.3
151.03908	2.4
153.05392	0.3
155.03403	1.0
159.04414	0.4
159.08081	0.3
162.02208	1.8
163.03938	2.6
163.07524	0.3
167.03419	0.6
169.01259	0.2
169.04974	5.3
177.05493	1.5
179.03400	7.5
179.04881	2.1
181.04977	10.2
181.80901	0.2
183.02896	1.0
183.08105	0.4
184.09683	0.4
185.04391	0.4
187.03922	0.9
187.07576	0.8
191.03374	0.3
191.10648	0.2
193.04892	0.3
195.02892	0.2
195.06580	0.7
197.04474	41.5
198.04781	0.4
201.09128	0.8
205.03348	0.1
205.04962	3.5
205.08618	1.7
207.06592	0.2
209.04520	2.0
209.08084	1.3
211.05899	0.9
211.07742	0.3
216.06871	0.2
219.10172	0.5
221.04500	0.3
221.08292	0.2
223.06053	6.9
223.09526	1.8
224.06451	0.2
229.08578	1.1
233.05888	0.6
233.09453	0.4
237.07562	0.2
237.11324	0.3
245.06061	0.2
247.09706	3.6
265.10727	100.0
266.11035	1.6
308.09128	5.1
362.13654	0.4
427.16049	28.4
428.16544	0.6
468.75330	0.1
484.06976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01864	0.8
55.05506	0.3
57.03198	0.1
57.03438	1.7
57.07063	0.2
58.99590	0.7
61.02932	1.9
67.01867	0.1
67.05497	0.2
68.05025	0.1
69.03431	5.4
69.07056	0.2
70.67064	0.2
70.67427	0.2
71.01340	0.2
71.04989	0.6
72.08151	0.3
73.02909	0.8
76.02230	2.5
79.05495	1.0
81.02989	0.2
81.03421	2.3
81.06602	0.3
81.07060	4.7
83.01341	0.4
84.04510	1.8
84.08106	0.1
85.01122	0.3
85.02908	13.4
87.02696	0.3
87.04474	1.1
91.03957	0.8
93.07063	0.1
95.04940	0.4
95.08613	0.2
97.02895	4.9
99.04462	0.9
107.04939	0.3
108.72139	0.1
109.02881	1.8
112.03944	0.2
113.02393	0.2
113.04251	0.6
114.05515	0.3
116.01671	0.9
121.06490	0.2
123.04461	0.8
123.08092	0.2
127.03922	2.6
130.05019	0.9
130.06870	0.7
130.08614	0.3
131.04897	0.3
133.02885	0.1
135.04379	0.2
135.08066	0.4
137.02318	0.1
139.03938	0.7
142.03229	0.3
142.04985	0.3
144.01178	0.3
145.02925	0.1
145.04968	2.1
145.10114	0.2
147.04454	0.2
149.02347	0.3
149.05978	0.3
151.03912	2.3
153.05466	0.3
155.03416	0.8
157.54524	0.1
159.04358	0.3
159.08070	0.3
161.02356	0.2
162.02193	1.2
163.03926	2.4
163.07550	0.4
165.01735	0.1
167.03351	0.6
169.01318	0.2
169.04967	5.1
173.09662	0.3
177.05484	1.4
177.09093	0.3
179.03391	7.4
179.04872	2.0
181.04959	10.6
183.02901	0.7
183.08151	0.3
184.09688	0.5
185.04417	0.6
187.02394	0.2
187.03896	0.9
187.07477	0.7
191.03369	0.3
193.04950	0.4
195.02773	0.2
195.06532	0.9
197.04460	41.9
198.04778	0.3
201.09084	0.5
204.04164	0.1
205.04968	3.5
205.08601	1.5
208.09721	0.1
209.04475	1.9
209.08083	1.2
211.05994	1.0
211.07632	0.3
215.04808	0.2
216.06862	0.4
219.10178	0.7
221.04488	0.3
223.06021	6.9
223.09521	2.0
229.08511	1.1
233.06007	0.6
233.09546	0.4
236.06720	0.3
237.07448	0.2
237.11244	0.3
245.06052	0.1
247.09656	2.9
265.10706	100.0
266.11032	1.5
308.09125	4.7
314.70703	0.1
362.13928	0.3
381.71045	0.1
427.16010	26.2
428.16376	0.6
691.46686	0.1
739.12732	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	734.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
53.22395	0.1
55.01873	0.7
55.05510	0.3
57.03441	1.4
57.07073	0.2
58.99608	0.7
61.02932	2.0
67.01842	0.2
67.05500	0.2
67.86556	0.1
69.03433	5.1
69.07060	0.2
70.06585	0.5
70.13564	0.2
70.13921	0.5
71.01357	0.1
71.04998	0.8
72.08142	0.1
73.02914	0.9
76.01833	0.2
76.02235	3.6
76.03999	0.2
79.05497	1.0
81.02983	0.2
81.03421	2.3
81.06589	0.2
81.07060	3.7
83.01343	0.4
84.04502	1.8
84.08147	0.3
85.02911	13.1
87.04485	1.0
91.03957	0.6
91.05482	0.2
93.07053	0.2
95.04969	0.3
95.08600	0.3
97.02901	4.8
99.04462	1.0
102.23897	0.1
107.04951	0.2
109.02889	1.6
113.02345	0.2
113.04219	0.3
114.05539	0.2
116.01678	1.1
121.02884	0.2
123.04441	1.1
127.03921	3.2
130.04991	0.5
130.06856	0.3
130.08583	0.2
131.04933	0.4
133.02820	0.3
135.04378	0.3
135.08049	0.4
137.02377	0.2
139.03918	1.0
142.03218	0.3
142.04950	0.1
144.01126	0.5
145.04976	2.4
147.04405	0.3
149.02338	0.3
149.05989	0.4
151.03915	2.1
151.14674	0.1
153.05460	0.2
155.03389	0.7
159.04413	0.3
159.08051	0.3
161.02379	0.2
162.02197	1.6
163.03915	2.8
163.07584	0.4
165.01849	0.3
167.03410	0.6
169.03542	0.3
169.04970	5.1
173.09584	0.3
177.05482	1.4
177.08931	0.2
179.03398	7.6
179.04872	2.4
181.04965	10.5
183.02988	0.7
183.08066	0.2
184.09703	0.3
185.04416	0.5
187.02423	0.3
187.03935	1.1
187.07504	0.9
191.03424	0.4
193.04932	0.3
195.06589	0.8
197.04468	41.3
198.04839	0.4
201.09097	0.7
203.06953	0.2
205.04985	3.4
205.08623	1.4
209.04504	1.8
209.08025	1.3
211.05882	0.8
211.07761	0.3
219.10185	0.6
221.04539	0.2
223.06030	6.2
223.09515	1.8
229.08473	0.8
233.05919	0.8
236.06810	0.2
237.07742	0.2
237.11212	0.3
247.09692	2.7
265.10718	100.0
266.11078	1.5
308.09113	5.0
362.13940	0.2
418.81055	0.2
427.16028	21.9
428.16382	0.6
734.40546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60348	0.2
52.39608	0.1
53.03923	0.5
54.47345	0.1
55.01868	1.0
55.05512	0.2
55.61427	0.1
57.03437	1.5
57.07061	0.3
58.99579	0.4
61.02928	2.0
63.46926	0.1
67.01852	0.2
67.05495	0.2
68.99779	0.2
69.03432	5.6
69.07056	0.4
69.62388	0.5
69.62810	0.5
71.01348	0.2
71.04968	0.7
73.02928	0.9
76.01835	0.2
76.02231	2.9
79.05496	1.0
81.03420	2.4
81.07063	4.2
83.01332	0.6
84.04498	1.2
85.01132	0.2
85.02908	13.8
87.04481	1.1
91.03960	0.8
93.07043	0.2
95.04962	0.4
95.08571	0.2
97.02897	5.3
99.04440	1.1
101.02351	0.2
105.03402	0.2
107.04949	0.2
109.02879	1.7
113.02357	0.2
113.04206	0.4
115.88751	0.2
116.01702	0.8
123.04464	1.1
123.08052	0.3
127.03931	2.6
127.07166	0.1
130.05022	0.8
130.06865	0.5
130.08617	0.2
131.04901	0.2
133.02878	0.2
135.04410	0.3
135.08061	0.3
137.02272	0.2
137.09621	0.2
139.03941	0.8
142.03215	0.3
144.01114	0.5
145.04970	2.6
149.06001	0.3
151.03905	2.5
151.04997	0.3
153.05460	0.3
155.03383	0.8
159.04393	0.3
159.08084	0.3
162.02211	1.5
163.03920	2.1
163.07535	0.4
167.03398	0.6
167.07024	0.8
169.01372	0.2
169.04971	4.7
173.09665	0.3
177.05469	1.3
177.09067	0.3
177.84351	0.2
179.03389	7.2
179.04866	2.2
180.03922	0.2
181.04956	9.9
183.02863	0.7
183.08078	0.4
185.04439	0.4
187.02478	0.2
187.03934	0.9
187.07533	0.7
191.03432	0.2
191.10686	0.2
193.04948	0.3
195.06557	1.0
195.10277	0.2
197.04457	41.7
198.04730	0.3
201.09126	0.6
202.09024	0.2
205.04958	2.9
205.06720	0.3
205.08531	1.4
209.04460	2.1
209.08040	1.1
211.05949	0.5
211.07663	0.4
211.09505	0.2
219.10133	0.9
221.04434	0.2
223.06033	6.6
223.09514	1.9
229.08656	1.0
233.05945	0.8
236.06784	0.3
247.09708	2.9
265.10706	100.0
266.11087	1.6
308.09122	5.1
362.13712	0.2
427.16019	23.4
428.16556	0.4
441.51196	0.2
531.51038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.05518	8.8
57.03399	4.2
57.07085	26.3
57.07343	1.8
59.04984	1.1
61.02935	3.0
65.03913	1.2
67.05515	38.4
67.05842	1.6
69.03404	1.3
69.07079	9.1
71.05004	17.8
71.08643	23.2
71.09006	1.0
71.23412	0.7
73.29984	0.5
74.09706	1.0
77.84014	0.5
79.05506	8.0
81.03397	0.8
81.07069	67.7
81.07520	2.5
81.07743	1.9
83.04990	3.2
83.08630	12.2
85.02906	2.7
85.06099	0.6
85.06555	7.8
85.10200	12.1
85.82846	0.6
87.04410	0.7
87.71845	0.5
91.03943	1.2
91.05496	12.6
91.15825	0.6
93.07064	8.4
95.04943	0.7
95.08620	20.3
96.19916	0.5
97.02888	1.1
97.06496	2.1
97.10188	6.4
99.08055	0.7
99.11701	1.0
99.43393	0.5
105.07042	6.0
105.36205	0.7
107.08607	6.6
109.06496	0.8
109.09503	1.0
109.10169	13.9
111.08034	1.4
117.07020	1.3
119.08625	0.7
121.10131	2.2
123.11720	15.8
131.08534	2.0
133.10155	13.0
135.11665	1.7
137.13193	1.5
139.11012	0.6
149.13281	2.8
151.11215	7.0
151.14775	0.9
159.11636	2.2
165.16377	0.5
169.12225	1.3
177.12727	2.4
183.13806	2.8
187.13351	4.8
195.13776	1.9
239.23659	2.1
257.17468	1.0
269.17542	4.6
301.16840	1.2
301.20126	18.2
313.27432	20.0
325.63629	0.6
387.87476	0.5
445.23914	0.7
481.38959	78.3
482.39377	1.9
495.40509	2.1
507.40454	6.3
539.43152	100.0
540.43518	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	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01874	5.7
55.05270	1.4
55.05518	18.9
57.03440	11.3
57.07067	2.6
59.05001	3.7
65.03941	4.0
67.05508	100.0
68.05850	0.9
69.03445	4.6
69.07072	11.2
69.37511	3.7
69.37937	2.2
71.05014	4.5
73.02926	1.1
79.05496	22.9
81.03428	5.7
81.07060	44.6
83.01360	1.0
83.04990	4.7
83.08620	11.5
85.02922	2.7
85.06554	3.8
87.04469	0.8
91.05486	26.1
93.07048	27.5
95.01340	17.4
95.04981	4.1
95.08613	24.0
97.02909	2.7
97.06518	4.0
97.10188	5.5
98.20794	1.4
99.08092	0.9
101.02430	1.3
101.06030	1.1
103.05482	1.4
105.04561	0.9
105.07038	20.6
105.07684	1.5
107.04964	3.9
107.08605	15.9
109.02888	2.9
109.06559	2.6
109.10165	69.7
111.04458	1.2
111.08112	3.0
113.02395	2.5
115.05493	1.9
116.04693	0.8
117.07025	11.3
119.08588	17.2
121.02892	1.6
121.06544	3.0
121.10145	11.4
123.04485	2.4
123.08075	1.3
123.11746	6.0
125.02372	2.4
125.09630	5.9
128.06248	1.9
129.05528	2.2
129.07024	6.7
131.05016	1.4
131.08575	16.9
131.09528	1.4
133.06473	6.0
133.10159	13.3
135.04471	2.2
135.08113	2.4
135.11702	6.5
137.05981	1.3
137.09642	3.9
137.13277	2.2
141.07024	3.5
142.07806	1.4
143.07063	0.8
143.07411	1.0
143.08540	7.9
145.06514	5.1
145.10123	10.2
147.08023	4.7
147.11684	8.7
149.06099	0.8
149.09680	2.2
149.13286	3.6
151.03954	2.7
154.07787	1.3
155.08572	3.5
155.10632	5.3
156.09402	1.0
157.06502	1.6
157.08853	1.4
157.10187	5.9
159.08093	2.9
159.11703	8.4
159.12898	1.0
161.09680	2.7
161.13208	3.7
163.11189	2.0
163.14929	1.7
167.08594	1.4
167.10764	0.8
169.05008	0.9
169.10175	3.7
171.08176	1.9
171.10417	0.8
171.11661	3.9
173.09639	2.7
173.11795	19.9
173.13313	5.4
175.07602	1.2
175.11246	1.6
175.14874	2.7
177.12863	0.9
179.08562	1.0
181.10211	1.6
183.11766	3.2
185.09677	1.4
185.13213	4.3
187.11263	2.1
187.14796	3.7
189.11308	1.8
189.12820	1.0
189.16353	1.2
191.10611	1.2
193.12268	1.2
195.11797	2.0
195.13979	0.9
197.04564	1.7
197.09706	1.8
197.13391	2.2
199.11317	1.2
199.14972	2.4
201.12836	1.5
201.16467	1.0
203.10628	1.0
203.14355	0.9
207.11787	1.6
209.13359	1.2
211.11374	1.1
211.14967	1.5
213.03944	1.0
213.12851	1.1
213.16484	1.1
215.14487	1.4
217.15958	1.3
219.17540	2.5
222.44778	1.0
223.14914	1.2
227.12796	1.4
229.14346	53.2
239.14487	1.0
241.19670	0.9
243.21204	1.9
257.19232	1.0
259.20663	2.3
261.22180	4.6
273.22336	1.3
275.20142	3.5
277.16019	0.9
277.21735	2.3
279.23471	1.1
285.22159	2.0
287.23630	0.9
299.23615	3.9
309.22296	3.4
327.23196	7.4
329.24725	5.9
333.24426	2.0
335.25809	9.1
337.21921	2.5
345.24371	2.1
349.24084	1.5
351.14545	1.1
355.22812	4.8
373.24057	1.8
401.26932	1.7
406.37567	0.9
411.25433	1.6
417.26382	1.2
429.26520	2.4
441.17484	1.0
445.25333	2.1
455.24350	1.2
459.18906	3.4
463.32355	1.0
473.25235	2.2
481.33026	0.9
487.02655	0.8
489.35968	3.9
491.26483	1.0
517.35474	1.1
543.36914	4.4
565.29553	1.0
601.37317	1.1
645.37177	1.3
673.52734	0.8
719.40106	6.4
737.41174	8.9
738.39178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01876	5.5
55.05510	20.4
56.38043	0.8
57.03433	10.3
57.07079	2.3
59.04990	3.8
65.03932	4.2
67.05505	100.0
69.03415	3.8
69.07063	10.2
69.37212	6.3
71.00114	0.8
71.05003	5.1
73.02913	2.0
79.05496	24.5
81.03416	8.8
81.07057	46.4
83.04977	4.9
83.08623	9.8
85.02908	2.8
85.06542	2.3
87.04422	1.0
88.52082	0.9
91.05482	31.0
93.07043	24.8
95.00772	1.4
95.01331	18.8
95.04954	6.0
95.08607	26.3
97.02885	2.8
97.06556	4.1
97.10181	6.4
98.21551	1.6
99.04415	1.1
103.05470	0.9
105.07033	23.9
107.04932	5.3
107.08597	16.9
109.02856	1.9
109.06537	3.9
109.10156	69.2
111.04436	1.9
111.08079	5.6
113.02375	3.5
115.03880	0.7
115.05463	2.3
116.04694	0.8
117.07006	10.6
119.04962	0.8
119.08583	23.2
121.06496	2.0
121.10159	10.9
123.04433	3.2
123.08057	2.3
123.10921	0.8
123.11670	4.5
125.02372	2.1
125.09642	4.8
127.03876	1.1
128.06203	3.0
129.05478	1.9
129.07011	7.4
130.07796	1.0
131.04921	1.2
131.08560	15.2
132.43938	0.8
133.06490	6.7
133.10138	12.4
135.04445	1.0
135.08009	1.8
135.11694	6.6
137.06038	1.0
137.09604	4.7
137.13254	2.0
138.99144	1.0
139.03854	0.8
141.06972	2.7
142.07735	1.7
143.08571	7.3
145.06512	4.1
145.10114	13.5
147.08041	4.3
147.11699	8.6
149.05971	1.1
149.09641	2.3
149.13263	3.3
151.03917	3.0
151.07526	1.1
151.11208	1.8
155.08578	4.1
155.10675	5.0
157.06456	1.7
157.08656	1.9
157.10123	6.5
159.08031	4.5
159.11705	8.6
161.05952	0.9
161.09615	2.2
161.13242	3.9
163.11131	2.2
167.08528	2.1
169.06433	0.9
169.10120	3.2
171.11635	4.4
173.04474	1.6
173.05923	1.2
173.09601	1.8
173.10101	1.2
173.11739	20.8
173.13260	4.3
175.11191	3.5
175.14827	2.4
177.12834	1.2
179.08575	1.6
181.10141	2.2
183.08128	0.8
183.11688	3.0
185.09584	2.5
185.13272	3.1
187.11172	2.7
187.14790	3.2
189.11224	1.7
189.12733	1.5
191.10590	1.1
193.10266	0.9
193.12276	2.5
195.11656	2.0
197.04477	1.2
197.09662	1.6
197.13246	2.3
199.11221	1.2
199.14841	2.2
201.12759	1.7
201.16422	1.0
209.13232	1.4
211.13121	1.2
211.14928	1.8
213.12798	1.1
215.14305	0.9
225.16402	2.0
227.12621	1.3
229.14330	58.8
243.21094	1.6
259.20554	2.4
261.22128	4.8
273.18619	1.4
273.21692	0.9
275.20111	3.0
277.21567	2.2
281.17532	0.9
285.22159	2.0
291.19550	1.8
299.23624	2.1
303.23108	1.2
307.22525	1.3
309.22083	3.1
327.23151	7.6
329.24796	4.4
333.24234	1.8
335.13965	0.9
335.25754	8.9
337.21616	2.2
345.24261	2.4
349.23248	1.0
355.22617	4.6
365.23114	1.1
373.23862	1.4
401.26788	1.7
411.25235	1.5
429.26459	1.8
443.19162	0.9
445.25208	2.6
453.33447	1.0
459.18420	3.5
473.25348	2.1
481.33075	1.1
489.35916	4.1
517.35199	2.2
543.36835	4.1
645.36017	1.2
691.72504	1.0
699.52911	1.1
719.40472	5.4
737.41541	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	737.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.01881	11.9
55.05516	26.3
57.03445	12.0
57.07077	3.8
59.05000	1.6
60.10529	1.7
61.02955	1.8
65.03947	4.0
67.05513	98.6
69.03442	17.8
69.07076	23.9
71.01362	2.3
71.05003	24.2
71.52222	3.1
73.02879	2.0
73.17900	1.5
79.05504	53.2
81.03429	37.3
81.07067	100.0
82.95099	1.8
83.05001	16.1
83.08629	13.2
85.02914	8.0
85.06549	6.6
91.05491	57.0
93.07059	54.1
95.01346	6.0
95.04996	14.1
95.08619	39.8
97.02896	13.7
97.06549	21.6
97.10190	8.4
99.04451	4.6
99.08096	2.6
101.06013	2.4
103.05484	1.7
103.17284	1.8
105.07047	50.9
107.04966	13.7
107.08607	36.5
109.02876	11.0
109.06543	8.7
109.09460	3.3
109.10163	33.9
109.10854	3.1
111.04448	7.5
111.08092	6.9
113.02386	2.5
115.05461	2.5
117.07056	19.5
119.04943	2.8
119.08599	35.9
121.06512	5.2
121.10158	20.1
123.04437	2.1
123.08122	8.6
123.11706	14.1
125.05957	1.6
125.09631	8.8
127.03931	7.5
127.27035	1.8
128.06256	2.5
129.05496	4.1
129.06998	11.8
131.08586	24.6
133.06517	5.3
133.10152	30.4
135.04482	1.9
135.08034	7.4
135.11694	10.8
137.05991	2.0
137.09639	4.8
141.07019	4.8
142.07823	2.9
143.08565	11.8
145.06505	4.1
145.10132	18.4
147.08057	6.0
147.11705	18.8
149.09668	12.5
149.13264	9.9
151.03947	1.7
151.11180	8.2
153.09065	1.9
153.12686	2.5
155.08527	5.0
157.10179	7.9
159.08070	3.7
159.11749	13.2
161.09627	5.0
161.13274	5.1
163.11212	7.7
165.12798	3.7
167.08563	3.1
169.10182	6.0
171.10332	2.3
171.11665	9.1
173.04530	11.8
173.09601	3.1
173.11743	6.3
173.13278	4.2
175.11238	4.8
175.14848	3.5
177.12794	5.1
179.08575	1.9
181.10170	2.5
183.11743	4.6
185.13264	3.7
187.11266	2.7
187.13358	4.3
187.14922	2.6
189.09276	2.3
189.11194	3.5
189.12746	3.4
190.78419	1.8
193.12253	2.5
195.11781	2.3
195.13797	4.0
197.09660	1.9
197.13315	4.4
199.14946	2.1
201.12733	2.1
201.14778	2.0
207.11594	2.6
209.13393	2.2
209.68103	1.8
211.13040	1.8
211.14882	2.0
225.14934	3.9
227.12822	4.3
229.14398	11.8
229.19717	2.1
233.15358	2.5
239.18036	2.6
243.15941	3.4
247.20262	1.7
257.19235	3.8
259.20633	2.7
261.22198	2.6
267.16006	4.3
268.51746	1.7
269.17493	5.3
273.18579	4.1
275.20059	35.8
283.15445	2.2
285.16962	2.8
291.19537	3.1
293.21216	4.0
297.16852	1.9
301.20053	3.1
327.23230	4.4
329.24838	2.5
335.25952	1.9
349.23734	18.9
355.22522	3.7
397.25970	2.2
413.21677	3.8
445.24310	7.7
457.25504	2.4
477.40289	2.0
489.35986	2.3
499.34164	3.8
517.35315	28.8
519.37079	2.2
525.35480	5.7
531.37299	2.3
541.35107	2.1
543.36981	32.4
549.38293	2.0
575.39832	9.9
661.39661	1.8
687.40826	7.6
705.42029	3.3
719.43286	10.4
737.34747	5.6
737.42847	7.4
743.40808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
53.08405	1.6
55.01866	1.7
55.05510	17.0
57.03424	5.9
57.64697	1.4
60.69915	1.5
64.48595	1.5
65.03927	3.0
67.05507	50.7
69.07079	11.4
71.04978	1.6
71.53173	1.7
79.05498	46.2
79.97620	1.5
81.03401	4.4
81.06585	2.7
81.07059	42.0
83.04985	8.7
83.08608	5.3
85.06520	2.9
86.09672	1.5
91.05483	36.4
93.06486	3.0
93.07050	52.5
95.04972	10.6
95.08608	29.6
97.06542	3.9
97.10164	3.9
102.12820	1.9
104.62001	1.4
105.04549	1.9
105.07033	25.5
107.04925	4.6
107.08595	17.2
109.06529	3.8
109.10173	10.3
117.07014	4.3
119.07812	2.1
119.08582	17.2
121.06518	1.7
121.10172	9.7
123.08085	2.8
129.06985	10.5
131.08571	8.4
133.10133	8.1
135.11693	6.9
143.08562	4.2
145.10170	7.6
147.11678	21.7
149.13298	1.9
156.05298	1.6
159.11700	2.5
161.09663	2.7
161.13223	5.0
163.14787	1.5
171.11659	13.3
173.13223	2.4
189.12732	3.6
204.60378	1.5
207.13829	13.1
251.83661	1.8
261.22223	3.8
279.15765	1.7
281.17490	46.1
335.25784	46.1
541.38928	100.0
542.39368	4.0
559.39453	1.9
597.46704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.05035	0.6
57.03445	0.7
57.07077	1.5
58.06366	0.3
58.06643	0.5
59.07389	0.2
60.08168	5.6
67.05517	0.9
69.03503	0.1
69.04545	0.2
69.07060	0.3
69.36649	0.7
69.37067	0.3
70.06618	0.3
71.07381	3.1
71.08647	0.8
78.53912	0.2
79.05505	0.5
81.03426	2.7
81.07059	1.0
83.08617	1.0
85.10197	0.7
86.09712	29.1
91.05490	0.5
93.07047	0.4
95.04996	0.6
95.08617	1.1
97.10186	0.2
98.98467	2.9
104.10744	2.1
105.07050	0.4
107.04949	0.2
108.10300	0.1
109.10143	0.3
111.08059	0.2
111.54215	0.2
117.07004	0.2
119.08584	0.5
123.11713	0.2
125.00016	17.9
129.07033	0.3
131.08601	0.4
133.10161	0.3
147.11691	0.4
149.09651	0.2
152.64362	0.1
157.10172	0.2
175.11212	0.3
184.07352	100.0
185.07683	0.5
193.12195	1.0
248.69191	0.1
257.24878	0.2
267.15930	4.6
309.16873	0.1
313.27368	5.4
335.25632	0.2
505.38947	4.1
688.45544	10.8
689.45404	0.4
738.35144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05500	2.8
57.03433	5.5
57.06828	0.8
57.07079	9.9
60.08163	5.3
65.03899	0.5
67.05508	5.5
69.03425	1.0
69.07069	3.2
70.06601	0.6
71.04962	0.7
71.07385	2.9
71.08638	7.1
71.53235	0.8
73.93001	0.6
77.95007	0.6
79.05476	2.5
81.03421	19.6
81.07058	7.0
83.04990	0.9
83.08618	6.5
85.10188	3.6
86.09711	30.4
91.05482	4.1
91.90244	0.6
93.07046	2.3
95.04977	6.0
95.08605	7.4
97.02827	0.6
97.10171	2.1
98.98444	3.4
104.10733	2.4
105.07014	2.7
107.04974	0.9
107.08582	1.7
109.10183	3.7
111.08103	1.7
119.08582	2.7
121.10146	1.6
122.79498	0.6
123.11684	1.1
125.00015	19.8
129.06981	2.1
131.08580	2.4
133.10150	0.9
147.11697	2.4
149.09608	1.2
157.10104	2.5
165.34282	0.6
175.11247	2.7
176.35506	0.7
184.07352	100.0
185.07600	0.8
193.12227	6.5
267.15930	31.4
313.27380	30.8
314.27777	0.9
314.74170	0.7
329.08258	0.6
483.53726	0.6
505.38892	25.7
676.39130	0.7
688.45569	10.2
738.35193	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	738.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.70365	1.3
55.05514	8.6
57.03440	16.7
57.06831	2.4
57.07078	27.8
57.44574	1.5
58.70130	1.5
60.08150	4.9
64.34566	1.5
67.05505	16.8
69.03429	2.1
69.07076	9.0
71.04990	1.8
71.07375	2.3
71.08635	25.7
73.94316	1.5
79.05502	7.1
81.03423	57.0
81.07055	18.3
83.04962	4.0
83.08619	20.0
85.10191	13.9
85.76682	1.8
86.09221	2.3
86.09709	31.1
89.43636	1.5
91.05479	11.1
93.07043	5.2
95.04974	15.2
95.08614	18.6
97.02909	3.2
97.10155	4.3
98.98477	1.6
104.10746	2.2
105.07022	5.7
107.04919	3.5
107.08564	2.4
109.06512	3.6
109.10170	7.6
111.04470	1.8
111.08076	3.2
115.39404	1.4
119.08588	8.9
121.06474	2.4
121.10129	4.4
123.11707	4.5
125.00002	20.6
125.09630	1.6
129.07019	6.9
131.08549	3.4
133.06514	2.2
133.10117	3.3
142.07756	2.4
145.10069	2.6
147.11659	7.8
149.09602	2.9
153.59743	1.4
157.10106	7.1
175.11208	7.9
184.07349	100.0
193.12265	24.9
229.10263	1.6
239.23747	2.1
257.24863	1.9
259.13162	2.3
267.15927	94.7
313.27371	96.2
314.27747	3.1
420.31531	1.5
505.38892	79.2
506.39438	2.4
523.39581	4.3
547.39667	2.8
595.67096	1.6
688.45483	14.1
738.35779	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	740.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01871	2.4
55.05512	9.4
57.03435	4.0
57.07022	0.9
61.02930	5.5
65.03907	0.6
67.05505	19.3
68.12202	0.4
69.03435	3.2
69.07063	4.3
69.14922	0.4
69.38491	3.5
71.01303	0.4
71.04990	6.8
73.02914	2.4
79.05490	11.6
80.04977	1.2
81.03419	12.2
81.07057	25.3
83.04980	2.1
83.08620	7.8
84.04436	0.5
85.02911	4.7
85.06554	2.4
87.04422	0.7
91.03949	2.1
91.05479	11.3
93.07043	8.7
94.06583	2.9
95.04971	7.3
95.08614	6.4
96.08103	0.4
97.02890	3.2
97.06516	2.1
97.10172	6.8
98.21525	1.0
99.04427	0.6
99.08035	0.7
103.05396	0.7
105.07031	8.6
106.06499	1.9
107.04959	4.7
107.07317	0.6
107.08594	8.0
107.82890	0.4
108.08077	1.6
109.06518	4.1
109.10148	4.5
111.04395	0.9
111.08087	2.3
115.04024	0.5
115.05408	0.9
116.72744	0.5
117.07018	3.2
118.06542	2.2
119.07804	0.5
119.08571	5.7
120.07406	0.3
120.08090	3.7
121.06509	3.9
121.10141	3.8
122.09646	1.1
123.08072	1.0
123.11699	3.3
125.09629	5.7
127.03876	0.5
129.06992	3.8
130.06490	0.6
131.04890	0.6
131.07512	0.6
131.08559	6.8
132.08087	3.9
133.06464	1.2
133.09015	0.6
133.10112	7.0
134.05969	0.8
134.09645	3.4
135.08078	2.1
135.11621	1.3
136.07532	2.0
138.05486	0.8
138.09071	0.7
139.11119	0.5
141.06934	0.8
142.07716	0.7
143.08490	1.7
144.08026	1.9
145.06413	1.6
145.08850	1.0
145.10078	2.5
146.05969	0.7
146.09637	2.9
147.06868	0.5
147.07990	1.7
147.11681	2.5
148.07504	1.5
148.11189	0.6
149.09608	2.2
149.13182	1.3
150.09140	4.8
151.11195	2.0
152.07065	2.1
152.10590	0.5
155.08519	1.1
156.08067	0.8
157.10139	2.3
158.09610	2.1
159.06776	0.5
159.08031	0.7
159.10379	0.8
159.11630	1.9
160.07639	2.2
160.11182	0.9
161.09540	0.5
162.09032	0.8
163.11131	1.2
164.06998	0.6
164.10689	0.5
165.12779	0.7
166.08646	0.6
169.10063	0.8
170.09583	0.9
171.10255	0.9
171.11650	1.1
172.07558	0.6
172.11169	0.9
173.09647	0.5
173.11839	0.6
173.13222	1.8
174.09065	1.1
174.12703	0.8
175.11111	1.6
176.10683	0.6
177.12817	0.6
178.08623	2.3
181.10060	0.5
182.09535	0.6
183.11699	0.7
184.07246	0.5
185.13223	1.0
186.09134	1.3
187.11255	0.5
187.13359	1.1
188.10596	0.9
189.09361	0.4
189.11136	1.9
189.12718	0.7
190.12225	0.9
191.14218	1.6
193.12256	3.3
195.11662	0.6
195.13702	0.7
196.09685	0.8
201.12683	0.6
202.08653	0.5
202.12320	0.5
202.15811	0.5
203.14247	0.6
204.10193	0.6
210.10947	0.5
211.13260	0.5
212.14297	0.4
213.12726	0.6
214.15894	0.7
216.17331	0.6
217.15819	1.0
219.13815	2.1
220.09615	0.5
223.13266	0.6
226.12386	0.5
227.12589	0.8
228.13799	0.6
230.15358	1.2
242.18936	0.6
243.15903	0.8
244.16882	2.0
246.14807	0.6
246.18523	0.5
248.16371	1.5
249.14796	0.6
254.15282	0.7
256.16983	0.8
257.15219	0.7
257.17590	0.7
258.14896	0.6
260.16425	1.1
262.17969	1.0
267.15897	8.0
269.17465	2.3
270.18472	1.9
272.16397	2.4
272.19583	0.6
274.18033	1.0
275.16196	0.8
275.19803	0.4
284.16376	0.9
285.17010	0.7
286.17917	2.0
288.19592	5.0
290.17502	2.6
290.20837	0.9
298.17984	2.2
301.19986	2.8
302.17480	1.3
304.19003	1.9
306.20493	0.9
312.19455	0.8
315.23172	0.6
316.18991	2.4
318.16852	1.5
320.18567	1.3
325.21671	0.9
330.16937	0.6
330.20825	0.6
334.20074	2.0
336.17926	0.8
343.22733	2.9
346.20151	0.5
348.17914	1.0
361.23886	0.6
369.24335	1.6
371.25717	0.7
384.25540	0.6
387.25278	1.0
392.20453	0.7
394.27316	0.7
412.28375	1.2
414.26135	0.6
417.26208	2.0
422.26956	2.5
424.28415	0.5
425.26721	1.2
435.27402	9.3
439.26910	0.6
440.27963	7.2
442.29605	0.6
443.28021	4.8
458.29031	5.8
460.28766	0.5
461.28989	73.5
462.29318	2.4
468.27206	2.2
475.30649	1.3
479.30118	2.1
485.27487	0.6
486.28046	2.1
493.31665	3.6
503.30075	0.6
504.29431	0.9
511.32562	0.8
514.31415	1.6
532.32562	2.4
542.31049	1.6
550.34033	0.7
560.32166	16.9
578.33234	100.0
579.33563	3.7
584.31952	0.6
602.33209	2.7
619.34625	0.6
620.34064	0.9
637.35376	0.7
655.37268	0.6
656.33807	0.6
668.34082	1.2
686.35187	0.6
704.36292	1.9
722.36938	0.8
740.38147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.8
55.01828	1.8
55.05464	11.1
57.03386	4.6
57.03675	1.0
57.07044	0.7
59.04972	1.1
61.02876	4.6
62.97697	0.5
63.16329	0.6
67.05508	22.1
67.05832	1.1
68.32600	0.6
68.71547	0.6
69.03429	3.0
69.07076	5.0
69.20715	0.6
70.06562	0.7
71.04997	9.7
73.02866	2.2
73.03222	0.5
79.05502	14.7
79.05930	0.7
80.04985	1.0
81.03423	15.9
81.07063	31.4
82.07347	0.6
83.05003	3.1
83.05370	1.0
83.08619	8.6
83.42439	0.5
85.02914	4.1
85.06550	3.7
91.03874	2.1
91.05489	15.9
93.07056	13.0
94.06571	3.2
95.04977	10.5
95.08615	6.9
97.02912	3.2
97.06469	2.1
97.10179	9.0
105.07042	10.6
106.06512	1.3
107.04973	6.1
107.07329	1.0
107.08608	9.9
108.08038	1.7
109.02813	0.7
109.06528	5.9
109.10169	6.8
111.04398	0.7
111.08059	2.9
115.05416	0.9
117.05714	0.6
117.07022	4.8
117.91933	0.6
118.06464	1.8
119.08594	6.3
120.08112	3.3
121.06526	4.7
121.10153	4.7
122.09590	0.7
123.07998	2.6
123.11719	4.9
125.09638	5.6
127.03848	1.2
129.06993	4.6
130.06477	0.8
131.04929	1.0
131.07269	1.2
131.08513	7.9
132.08093	3.1
133.06401	1.9
133.08708	0.5
133.09061	0.6
133.10132	9.1
134.05927	1.0
134.09576	2.7
135.08040	2.6
135.11652	1.9
136.07520	1.7
138.05486	0.6
138.09032	0.7
141.06964	1.0
143.08498	2.6
144.08018	2.1
145.06410	2.1
145.08865	1.1
145.10063	2.6
146.05991	0.6
146.09578	2.5
147.04367	0.6
147.08035	1.1
147.11731	3.3
148.07588	1.5
148.11093	0.7
149.09587	2.0
149.13194	1.7
150.09155	4.7
151.07561	0.7
151.11186	3.1
152.07011	2.4
152.10681	0.7
153.09084	0.7
155.08507	1.8
157.10135	4.5
158.09598	2.2
159.08014	1.0
159.11664	2.1
160.07530	2.2
160.11143	1.1
161.08350	0.6
161.09619	1.4
161.13127	0.6
162.09090	1.0
163.11156	1.2
164.10715	0.8
166.08650	0.7
169.10078	0.8
170.09586	0.8
171.07962	0.7
171.11690	1.1
172.07549	0.8
172.11203	1.6
173.11742	0.7
173.13214	2.2
174.09044	1.1
175.11133	2.4
176.10564	0.8
177.12709	1.6
178.08554	2.3
181.10127	0.8
185.13281	0.7
186.09045	1.0
186.12791	0.6
187.11246	0.7
187.13248	1.0
189.11183	2.3
190.08609	0.7
191.14270	1.7
193.12221	4.0
196.09636	0.8
201.12726	0.7
203.14223	0.8
205.12187	1.2
209.13248	0.6
211.13191	0.9
214.55464	0.6
217.15909	0.6
219.13843	2.7
227.12675	1.2
230.15401	0.9
232.16992	0.6
242.18982	0.6
243.13780	0.6
244.16890	1.8
247.12920	0.6
248.16412	1.1
249.14822	0.9
252.54683	0.6
254.15248	0.9
257.17508	0.8
260.16373	1.2
262.18011	1.3
263.16702	0.7
267.15961	9.0
269.17514	2.1
270.18530	2.2
272.16476	2.3
273.14725	0.8
274.18045	1.8
275.16400	1.3
286.17859	1.5
288.19547	4.6
290.17490	2.3
290.20773	1.1
298.18024	2.3
300.19568	0.7
301.20206	3.5
302.17487	1.2
304.18970	2.0
306.27753	0.6
314.17535	0.9
315.23273	1.0
316.19244	3.0
318.17059	1.4
320.18573	1.2
325.21564	0.7
328.19150	1.3
334.20016	2.2
336.18149	0.9
343.22589	3.3
348.18011	0.8
351.23157	0.9
369.24261	1.7
387.25409	1.0
412.28595	1.0
417.26263	3.2
422.26895	2.5
425.26813	0.9
435.27481	14.4
440.27954	7.4
443.28003	6.5
458.29187	5.9
461.29007	92.8
462.29309	2.3
467.30283	1.0
468.27695	1.5
475.30542	2.0
479.30191	2.1
486.28711	2.8
493.31937	4.3
504.29391	1.0
514.31799	1.9
516.29950	0.7
525.34375	1.6
532.32977	1.6
542.30914	1.4
560.32117	17.3
561.31860	1.0
578.33276	100.0
579.33459	3.7
587.31915	0.8
602.33392	2.6
605.33417	1.1
620.34863	1.3
637.35156	0.8
644.34180	0.8
686.34875	1.0
704.37189	1.3
722.37158	1.3
740.37732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	1.9
55.05516	6.7
57.03441	4.7
57.07051	0.8
61.02919	0.6
65.38099	0.5
67.05141	0.5
67.05508	20.0
69.03423	1.7
69.07073	2.7
69.89459	1.9
71.04995	8.6
79.05502	9.1
81.03424	16.7
81.07062	29.3
83.04994	2.5
83.08627	6.1
85.02905	1.1
85.06541	3.1
87.57915	0.4
91.05487	12.0
92.89194	0.5
93.07048	9.2
95.04973	10.1
95.08614	4.9
97.02888	1.3
97.06544	2.6
97.10176	3.5
99.08075	0.6
105.07034	8.6
107.04961	7.3
107.08611	5.9
107.56361	0.4
109.06528	5.7
109.10155	4.2
111.04433	0.7
111.08109	2.1
115.05463	0.9
117.07004	3.0
119.04980	0.7
119.08591	4.7
121.06515	6.1
121.10139	4.2
123.04379	0.5
123.08058	2.9
123.11703	3.4
125.09647	2.9
129.07030	3.9
131.04924	0.6
131.08575	7.1
133.06511	1.9
133.10144	7.8
133.92729	0.5
135.08023	2.4
135.11647	2.1
137.09641	1.0
141.06969	0.8
142.07817	0.5
143.08592	1.7
145.06508	1.9
145.10132	3.2
147.08069	2.1
147.11736	2.6
149.09604	2.5
149.13292	1.8
151.11223	3.2
151.66263	0.4
153.08981	0.5
155.08534	0.9
157.06557	0.6
157.10156	3.2
159.08128	0.5
159.11685	2.1
161.09602	1.6
163.11215	1.5
165.12666	0.6
168.07658	0.4
168.13864	0.5
169.12321	0.7
171.08229	0.5
171.11644	1.2
172.11903	0.5
173.09705	0.5
173.13246	1.1
175.11180	2.1
177.12811	1.2
181.10149	0.5
183.11702	1.0
183.13898	0.7
185.13322	1.0
187.04414	0.5
187.13283	1.2
189.11195	0.8
191.14365	1.6
193.12270	4.6
197.13376	0.8
199.14845	0.7
201.12805	1.2
203.14259	0.9
217.15923	1.2
219.13794	3.6
221.15538	0.5
225.12929	0.5
227.12726	0.5
231.13823	1.0
233.15370	0.7
249.14894	1.1
257.15140	0.6
257.17599	0.9
267.15915	9.0
269.17517	1.1
275.16583	1.4
301.20114	3.4
325.21695	1.3
343.22742	3.6
351.23163	1.1
361.23785	1.1
369.24210	2.5
371.25711	0.6
387.25262	0.7
389.36264	0.5
416.49615	0.5
417.26465	2.8
425.26913	1.4
435.27481	12.0
443.27945	7.3
461.29019	100.0
462.29385	3.1
475.30490	1.5
493.31757	5.3
511.28735	0.7
534.37927	0.6
535.32379	0.5
543.30334	0.5
587.32544	0.9
589.33606	0.5
601.34326	0.6
633.68256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01878	2.8
55.05516	13.2
57.03442	9.0
57.07048	1.5
61.02916	1.2
65.03915	1.7
67.05511	34.6
69.03400	1.4
69.07075	11.1
69.26350	3.9
71.04967	2.1
73.02899	1.6
73.52204	0.5
77.03918	0.7
79.05500	34.2
81.03401	2.2
81.07063	39.1
83.04994	3.2
83.08152	0.7
83.08623	9.0
85.02879	0.8
85.06526	1.1
91.05486	14.4
93.07050	48.0
95.04978	5.7
95.08614	49.2
96.08919	0.9
97.02895	3.8
97.06543	3.8
97.10141	1.5
98.20725	1.0
99.04446	3.8
99.08111	0.8
105.04475	0.9
105.07037	10.1
107.04955	7.8
107.08601	34.0
108.08906	0.6
109.06514	2.1
109.10164	10.3
111.04419	1.6
111.08056	1.9
113.11867	0.5
117.07014	9.5
117.21150	0.5
119.08588	12.9
121.06528	4.9
121.10154	20.9
123.08065	0.7
123.11709	2.8
125.06016	2.7
129.07036	0.7
130.07762	1.4
131.08583	4.5
133.10143	5.4
135.08098	3.0
135.11702	50.9
136.11980	1.0
137.13228	1.4
139.07555	1.3
139.10965	0.6
145.06445	0.7
145.10132	29.9
147.11646	2.1
149.13306	2.6
151.14830	0.6
153.12706	0.6
155.08492	0.6
159.11681	1.8
161.13234	1.9
163.11194	56.6
163.14786	1.3
172.97430	0.5
173.13220	1.5
177.16437	0.8
181.12245	9.4
182.12860	0.6
187.14784	0.6
209.11758	1.9
212.19107	0.5
227.12794	68.8
233.22731	0.7
243.21077	2.3
261.22186	7.0
283.15414	100.0
284.15735	1.5
317.24979	2.5
335.25818	91.4
336.26120	1.6
342.52997	0.5
376.18658	0.5
460.27353	0.6
469.33139	0.8
543.36853	90.7
544.37421	3.4
561.37915	0.8
648.35309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11159	0.4
53.03944	2.1
55.01844	1.7
55.05518	10.6
55.05760	0.6
57.03447	7.0
57.03709	1.0
57.07043	1.4
59.40999	0.4
61.02906	0.9
65.03903	1.6
67.05510	33.9
67.05856	1.1
69.03397	1.4
69.07074	8.3
69.16311	4.1
71.05004	2.1
73.02878	1.1
73.87273	0.4
77.03892	0.6
79.05498	28.3
79.48500	0.4
81.03379	1.2
81.07062	32.4
83.04985	2.7
83.08165	0.4
83.08621	6.3
83.44521	0.4
84.21895	0.5
85.02878	0.9
85.06491	1.3
91.05487	12.1
93.07051	37.9
95.04459	0.5
95.04975	5.0
95.08614	40.6
97.02871	2.7
97.06518	3.0
97.10132	1.6
98.20767	0.7
99.04479	1.9
99.08093	0.7
105.04507	0.8
105.07039	9.5
107.04971	4.8
107.08604	25.1
109.06499	1.7
109.10167	11.2
111.04424	0.6
111.08062	0.7
113.06010	0.5
116.06081	0.4
117.06258	0.4
117.07018	6.7
119.08588	10.0
121.06520	3.2
121.10149	17.5
123.08068	0.7
123.11736	2.7
125.05946	1.5
125.09583	0.5
130.07768	1.5
131.08574	3.1
133.10155	5.9
135.08049	1.5
135.11697	34.1
137.09599	0.5
139.07515	0.6
139.11176	0.4
141.20271	0.3
143.08577	0.5
145.10130	20.6
147.11714	2.3
149.13258	2.8
153.12755	0.9
156.26591	0.4
159.11652	1.8
161.13249	1.5
163.11191	37.6
163.14780	1.6
164.11528	0.5
173.09608	0.7
173.13269	2.4
175.14813	0.5
181.12241	6.7
184.07346	0.6
187.14789	0.5
209.11658	1.1
227.12794	47.1
228.13206	0.5
243.21095	2.5
253.50925	0.4
261.22128	6.4
283.15411	52.1
284.15775	0.9
317.24826	2.0
335.25815	100.0
336.26169	2.8
485.00504	0.4
543.36847	82.8
544.37195	3.7
561.37762	0.6
573.42194	0.6
599.50397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01879	5.7
55.05520	8.0
57.03442	3.6
57.07074	1.3
57.74846	0.5
61.02932	0.9
65.03954	1.4
67.05511	26.4
69.03443	0.9
69.07076	15.5
71.04987	1.5
79.05499	18.7
79.05960	1.0
79.35829	0.5
81.03436	3.3
81.07063	35.1
83.04994	3.8
83.08627	6.2
85.02905	1.0
85.06540	1.9
91.04906	0.8
91.05489	24.9
93.07050	25.7
95.01350	3.3
95.04974	4.5
95.08617	16.3
96.68192	0.6
97.02942	0.7
97.06538	12.7
97.10185	1.3
99.08114	1.3
105.04538	0.6
105.07044	28.7
107.04975	8.1
107.08604	14.1
109.06532	2.3
109.10155	4.8
111.08079	2.6
113.06022	0.6
115.05448	0.8
117.07024	7.2
119.08596	15.3
121.06533	1.7
121.10152	8.9
123.08121	1.5
123.11758	1.0
125.09651	0.9
129.07025	1.6
131.08572	9.5
133.06519	0.7
133.10144	17.9
133.11104	1.2
135.08063	1.6
135.11705	5.7
137.09634	0.9
141.06981	0.9
143.08557	1.7
145.06456	1.1
145.10130	8.1
147.11684	6.4
149.09644	3.4
149.13272	7.5
151.11327	0.7
155.08588	1.6
157.10193	1.6
158.47847	0.6
159.11710	6.8
161.13263	1.7
163.11224	4.0
165.09161	1.3
169.10124	1.5
171.11746	1.7
173.09637	1.1
173.13254	1.4
177.12817	2.5
179.14334	5.1
183.11732	1.2
187.11269	0.9
187.14885	0.6
191.10701	0.9
195.12195	0.6
195.13771	2.6
197.13295	0.6
226.14325	0.6
227.12822	2.0
229.19487	0.8
247.20667	0.7
251.16487	0.7
257.19122	1.5
269.17502	26.4
275.20078	29.9
279.16040	1.8
283.15469	2.5
293.21259	1.6
294.70853	0.6
306.27985	1.0
335.25879	4.5
337.27554	0.7
349.23752	11.1
349.27676	0.9
525.35901	2.0
543.36865	100.0
544.37555	3.5
560.39240	4.5
561.38141	2.2
578.41101	0.7
599.50409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01880	3.8
55.05513	7.9
57.03440	3.6
57.07072	1.4
65.03942	0.9
67.05510	22.9
69.03418	1.1
69.07071	11.1
69.31587	0.6
71.02094	0.5
71.04992	1.6
71.53239	0.9
77.00707	0.6
79.05498	17.6
81.03433	3.6
81.07062	30.1
83.04988	3.1
83.08621	6.7
85.02897	1.2
85.06540	1.7
86.09713	0.9
87.38512	0.5
87.95295	0.6
91.04898	1.0
91.05486	20.1
93.07050	20.8
95.01352	3.1
95.04961	3.0
95.08610	13.1
95.09177	0.9
97.06534	8.1
97.10179	1.4
105.07038	23.0
107.04967	3.9
107.08597	13.4
109.06541	1.7
109.10182	4.2
111.08105	2.0
115.05434	0.8
117.07027	7.2
119.08583	14.3
119.09374	1.1
121.06525	2.1
121.10139	5.8
123.08099	1.7
123.11710	1.6
125.09661	0.7
129.07033	1.1
131.08586	7.7
133.10138	17.1
133.11102	1.1
135.08076	1.0
135.11696	6.8
136.46716	0.6
137.09619	1.2
139.07594	1.0
143.08598	1.3
145.06494	0.7
145.10132	5.5
147.11671	5.2
149.09665	2.6
149.13249	4.4
151.11209	1.6
155.08595	1.2
157.10155	1.4
159.11690	6.5
161.13272	2.5
162.50560	0.6
163.11191	3.3
165.09230	0.6
169.10202	0.7
171.11729	1.5
173.09647	0.8
173.13347	1.1
177.12767	1.9
179.14304	3.0
183.11777	0.9
184.07336	5.0
187.14894	1.0
195.13850	3.3
216.62291	0.6
216.64316	0.7
227.12775	1.8
239.17957	0.7
247.20609	1.2
251.16431	0.9
257.19012	1.5
269.17505	24.4
275.20090	22.3
283.15427	3.8
293.21112	1.1
306.27844	1.2
335.25784	5.2
337.27609	0.6
349.23764	13.8
407.74500	0.6
433.33228	0.6
465.35880	0.8
525.35938	1.4
543.36841	100.0
544.37140	3.9
561.37915	1.8
626.02985	0.7
687.40894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.01874	2.0
55.05504	4.2
57.03451	8.1
59.32467	1.1
67.05507	1.4
69.03437	11.3
70.06580	2.0
71.01357	2.3
71.05005	58.1
71.13175	1.1
71.52835	1.4
73.02931	7.0
75.04467	3.1
77.95710	1.2
81.03388	1.7
83.04993	28.7
85.02916	80.0
87.04461	2.9
95.04984	4.5
97.02894	1.4
97.06519	1.2
99.04498	6.2
102.29037	1.2
109.02921	2.2
111.00822	1.6
111.04455	23.5
113.06008	3.0
117.05516	8.4
123.04375	1.6
125.38661	1.3
127.03925	3.4
129.05493	25.5
137.02354	7.5
147.06587	8.2
150.78441	1.1
153.01831	3.6
153.05507	6.8
157.05049	1.9
159.06549	1.5
163.06042	8.6
165.01895	1.8
166.78461	1.2
171.06473	2.5
171.34662	1.1
183.06454	1.4
201.05630	1.6
201.07544	2.3
213.07561	1.9
229.04985	2.6
239.09253	12.6
254.86957	1.2
257.04495	1.2
257.10278	2.9
275.11276	5.6
285.03998	1.4
293.12198	1.3
299.05399	2.2
303.05026	100.0
315.05081	11.1
316.05865	1.5
327.05154	3.4
345.06073	20.8
353.06381	1.6
367.08124	1.4
369.06171	8.7
395.07684	5.2
413.08798	12.0
431.10086	7.7
449.10873	25.2
450.34531	1.2
473.10764	1.9
581.09247	1.4
595.16571	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	742.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	1.9
55.01790	3.3
55.05427	11.0
55.05727	2.4
57.03350	7.0
62.24677	0.6
64.45200	0.6
64.57758	0.7
65.03876	1.1
67.05412	15.8
67.05811	2.7
69.03337	3.3
69.06973	5.0
70.06419	1.8
70.06821	1.0
71.04897	3.5
77.03851	0.6
79.05392	18.2
79.05897	1.9
81.03315	41.4
81.03845	4.4
81.06958	17.7
81.07471	1.5
83.04877	4.0
83.08517	13.2
83.09047	1.3
85.02795	3.2
85.06487	1.2
91.05372	14.1
92.52026	0.7
93.06937	16.1
93.07561	1.2
95.04859	19.9
95.05512	1.3
95.08493	7.5
97.02832	1.6
97.06416	3.6
97.10061	13.1
99.07991	0.9
105.03378	0.7
105.06917	10.5
105.44245	0.7
107.04959	13.0
107.08603	11.1
109.02815	1.4
109.06528	14.6
109.10161	4.2
111.04369	1.5
111.08079	5.2
113.05919	0.7
115.05322	1.8
117.06897	5.0
119.04854	1.0
119.08595	11.5
121.06513	12.1
121.10162	10.8
123.04371	1.3
123.08090	3.7
123.11617	1.3
125.05874	0.9
125.09638	11.5
128.06123	0.9
129.07025	6.1
131.04877	1.2
131.08577	11.6
133.06526	4.2
133.10130	5.3
135.08054	7.3
135.11700	2.9
137.05931	0.7
137.09476	2.0
139.11044	2.1
141.06889	1.3
142.07765	0.9
143.08434	2.1
145.06473	4.5
145.10156	4.5
147.04353	1.3
147.08047	4.4
147.11682	5.3
149.09625	5.5
153.08968	2.8
153.12619	0.9
155.08429	2.1
157.10135	5.3
159.07918	2.5
159.11560	2.0
161.05846	1.1
161.09499	2.0
163.07416	0.9
163.11205	4.1
165.09071	0.8
165.12648	1.9
167.08539	0.7
167.10594	1.2
169.10080	1.3
171.07985	1.5
171.10069	1.0
171.11560	1.8
173.09485	1.4
173.11758	0.7
173.13145	2.7
175.11150	6.8
177.12642	1.3
183.11629	1.3
185.09555	0.9
185.13243	0.7
187.11116	0.9
187.14771	1.4
189.09442	0.8
189.11111	5.3
189.12675	1.4
191.10548	1.6
191.14340	4.2
193.10408	0.8
193.12248	14.6
195.11700	1.2
197.09534	1.0
197.13133	0.9
199.11118	1.8
199.12999	0.8
201.12712	1.0
203.14220	0.9
205.12173	1.5
211.11130	0.7
211.13150	2.1
213.12671	1.1
215.14247	1.8
217.12070	1.5
219.11778	0.9
219.13795	10.3
223.13228	1.3
227.12669	2.2
229.14226	1.5
231.13760	1.3
233.15451	3.3
235.11119	1.2
235.13205	1.1
237.12489	0.9
243.13791	1.0
249.14758	1.8
251.13989	0.8
255.13698	2.2
259.13586	0.9
259.15518	5.6
266.34714	0.7
267.15936	41.0
268.16119	0.9
273.14810	5.6
275.16144	1.0
283.15247	0.8
293.17450	5.8
301.16595	1.0
321.22009	0.9
339.23099	2.6
349.21555	3.8
357.24124	1.7
367.22665	12.5
385.23764	19.1
403.24765	7.7
431.27698	0.8
433.25836	1.8
441.26413	8.4
451.27188	4.9
459.27444	94.7
460.27631	3.1
476.26440	0.7
477.28516	100.0
478.28824	2.7
491.24692	0.6
491.30295	8.3
495.29501	8.4
501.28561	1.7
509.31659	4.0
519.29675	0.7
567.29688	1.4
585.30652	1.2
603.31830	0.8
684.71710	0.8
742.34711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
54.32328	1.4
55.01880	2.8
55.05513	16.1
56.05032	7.8
57.03442	15.2
57.07080	1.9
60.04531	1.5
61.02919	10.4
61.82737	1.6
65.03941	2.7
67.05509	57.1
68.05023	4.8
69.03419	5.7
69.07073	15.4
69.27260	5.2
69.27683	7.5
70.02953	4.6
70.06599	8.7
71.04986	6.6
72.04534	9.9
73.02934	3.5
79.05499	43.8
80.05019	7.4
81.03423	63.5
81.06585	2.9
81.07063	57.9
82.06583	5.7
83.05003	7.3
83.08624	18.8
84.04497	3.1
84.42682	1.3
85.02915	11.5
85.06551	2.5
86.06104	1.8
91.03947	5.2
91.05487	36.5
93.06480	2.9
93.07050	46.4
94.06601	1.8
95.04968	19.6
95.08611	38.8
96.04479	5.0
96.08142	1.5
97.02381	1.3
97.02917	10.0
97.06531	3.8
97.10155	4.4
98.06044	3.4
99.04465	1.6
99.08077	2.0
105.07042	27.0
106.06577	1.6
107.04946	6.0
107.08598	23.0
108.08140	1.5
109.06510	4.9
109.08684	1.4
109.10159	15.4
111.08108	6.7
114.68745	1.6
115.05409	1.9
115.37195	1.5
117.07032	5.5
119.04829	1.4
119.08592	19.0
121.06541	1.4
121.10146	26.1
123.08039	3.8
123.11669	6.8
125.09651	2.7
127.03926	2.0
129.07022	7.1
130.41159	1.5
131.08582	19.4
133.06500	3.4
133.10117	12.9
135.08072	2.0
135.11702	11.9
137.09656	2.5
138.12784	6.0
142.63402	1.4
143.08542	1.9
144.06523	1.8
145.10153	8.1
147.08040	3.5
147.11719	14.7
148.11226	4.6
149.09608	12.6
149.13260	6.1
151.11140	1.8
154.15944	1.7
157.10164	7.8
157.77142	1.4
159.11676	4.2
161.13240	5.4
162.07602	2.0
163.11226	1.6
163.14809	2.4
164.14359	1.8
166.12292	20.4
167.10692	2.6
171.11691	1.5
173.13293	4.7
175.11226	8.0
175.14786	1.6
180.08672	3.5
182.15404	37.4
184.07359	6.5
184.13332	15.7
187.14868	2.5
192.13844	5.7
193.12257	22.4
210.14896	70.2
211.14981	1.6
227.12822	3.8
228.15994	4.6
240.15981	3.5
243.21021	5.1
249.14812	2.9
258.17041	4.4
261.22144	16.5
262.14282	2.3
267.15930	100.0
268.16357	2.6
284.18506	11.9
301.25241	1.6
302.19644	3.7
317.24768	3.8
335.25809	87.7
336.26022	1.7
372.36813	1.5
435.32266	2.5
453.33752	3.0
518.38373	7.3
527.37378	39.9
528.37860	1.7
536.39374	12.2
544.39972	6.9
545.38550	24.4
562.41046	85.7
563.41479	2.1
580.41736	4.6
604.41980	1.9
706.45032	4.2
724.46320	40.7
725.46002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.24582	0.5
55.01871	1.7
55.05515	14.4
57.03441	10.2
57.07065	0.9
61.02920	2.3
65.03937	1.1
67.05507	34.6
69.03429	3.6
69.07069	8.4
71.04999	3.2
79.05496	28.6
80.05840	0.7
81.03423	35.1
81.07059	34.3
82.07381	0.8
83.04986	8.3
83.08148	1.1
83.08619	16.0
85.02904	15.5
85.06539	1.4
87.58561	0.7
91.04900	1.1
91.05482	21.2
93.07045	25.8
95.04969	14.6
95.08610	22.6
97.02908	2.7
97.06516	3.0
97.10146	2.7
98.21529	1.7
103.05446	0.6
105.04457	0.9
105.07033	15.7
106.68453	0.6
107.04961	2.9
107.08594	12.5
109.06530	2.0
109.10167	9.2
111.04460	0.7
111.08092	5.0
113.06013	1.4
115.05493	0.8
117.07017	2.4
119.07722	0.6
119.08575	14.3
119.09373	1.1
121.10137	14.4
122.10417	0.6
123.08092	1.7
123.11714	3.2
125.09635	1.6
129.07008	4.6
131.08589	8.6
132.78795	0.6
133.06503	1.7
133.10136	9.3
135.08061	0.9
135.11703	7.0
137.09622	1.6
137.13225	0.7
145.10110	3.4
147.08073	1.7
147.11668	9.6
147.12798	0.7
149.09628	3.4
149.13258	2.3
157.10152	7.5
159.11708	2.3
161.13272	2.2
163.11230	1.8
163.14827	1.1
165.12773	1.3
173.13274	1.6
175.11211	7.8
177.16521	0.6
187.14801	0.8
193.12250	24.0
210.68901	0.6
211.13300	29.9
227.12794	1.7
228.13025	0.8
243.21109	1.8
261.22189	5.1
267.15869	6.5
283.15460	1.4
285.16971	35.1
317.24835	1.5
335.25809	58.0
336.26273	2.4
337.26358	0.9
435.32330	0.9
453.33099	0.9
527.37396	7.4
544.36334	0.9
545.38361	100.0
546.38684	3.6
608.31903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01868	2.0
55.05513	12.5
55.53110	0.5
57.03188	0.8
57.03438	8.3
57.07079	0.7
61.02928	1.2
64.05421	0.5
64.91430	0.5
65.03938	1.2
67.05507	28.6
69.03430	3.2
69.07073	7.7
69.23014	2.8
69.23436	2.1
70.27993	0.5
71.05000	3.2
73.02911	1.1
73.71689	0.5
77.03889	0.6
79.05015	0.6
79.05495	21.7
81.03421	36.9
81.07059	29.5
83.04977	8.5
83.08150	1.1
83.08620	15.5
85.02905	12.3
85.06533	1.8
86.13878	0.5
91.03932	0.7
91.04905	0.8
91.05485	19.7
93.07047	22.8
95.04971	14.6
95.08613	20.6
95.09076	0.3
95.09238	0.5
97.02891	2.2
97.06534	2.7
97.10171	4.1
99.04502	0.6
105.07037	13.7
107.04969	3.1
107.08603	13.2
109.06525	3.1
109.10157	7.6
111.04453	1.8
111.08105	5.5
113.05993	1.0
117.07023	2.4
119.08586	13.4
121.06492	1.1
121.10147	12.1
123.08104	1.6
123.11710	3.2
125.09641	1.0
129.07004	5.6
131.08574	8.3
133.06487	1.5
133.10120	8.1
135.08066	0.7
135.11694	5.6
136.12039	0.8
137.09599	1.3
137.13254	0.9
142.07790	1.3
142.25842	0.5
145.10101	2.7
145.29077	0.5
147.08054	1.7
147.11702	10.3
149.09625	3.8
149.13261	2.6
151.11217	0.9
157.10129	7.6
159.11722	2.2
161.13260	2.1
163.11197	1.0
163.14810	0.9
165.12808	2.7
173.13283	1.8
175.11195	9.5
175.14896	0.7
178.55991	0.4
187.14827	1.3
193.10432	1.1
193.12248	27.8
211.13298	43.5
227.12839	1.5
229.13428	0.5
243.21092	1.5
261.22168	5.5
267.15903	8.6
270.53952	0.5
283.15405	0.7
285.16974	37.9
317.24655	0.9
335.25803	44.6
336.26221	1.9
435.32642	1.3
453.33847	1.2
471.34637	0.8
527.37421	8.9
544.37549	0.7
545.38373	100.0
546.38470	3.2
549.31677	0.7
563.39288	0.6
659.85162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01869	2.7
55.05279	1.3
55.05519	19.8
56.05050	6.8
57.03438	13.8
57.07063	3.1
58.06616	1.8
61.02927	13.3
62.19489	1.4
65.03949	4.6
67.05505	61.3
68.05021	6.4
69.03432	5.9
69.06728	1.8
69.07072	16.3
70.02950	5.0
70.06594	15.7
71.04987	5.1
72.04514	10.0
73.02921	3.3
79.05493	48.4
80.05025	10.9
81.03421	49.4
81.05059	1.4
81.07059	69.6
82.06577	5.6
83.04981	7.0
83.08611	15.8
84.04514	3.2
84.08157	2.1
85.02902	14.3
86.06062	1.7
90.58526	1.4
91.03965	6.1
91.05482	37.9
93.07044	50.7
94.06598	2.1
95.04967	16.7
95.08612	48.9
96.04464	5.7
96.08134	1.9
97.02892	9.8
97.06520	4.4
97.10174	5.7
98.06067	4.5
99.08138	1.4
101.02391	1.6
105.04528	1.8
105.07034	26.3
106.06553	1.4
107.04942	4.9
107.08595	28.7
109.06551	3.7
109.10159	20.4
110.06036	2.2
110.09667	1.7
111.04447	1.5
111.08092	5.3
117.07026	5.5
117.26785	1.2
119.08572	19.2
121.06495	3.0
121.10146	28.6
123.08081	3.9
123.11715	7.0
124.11286	1.7
125.09612	3.0
127.03890	2.3
129.07027	8.7
131.08572	19.7
133.06477	1.8
133.10130	15.2
135.08057	1.7
135.11681	10.1
137.09615	2.4
137.13301	2.0
138.12785	7.9
143.08609	1.4
144.06554	2.8
145.10139	7.9
147.08066	3.1
147.11665	14.5
148.11148	6.4
149.09589	9.8
149.13278	6.3
154.15860	1.6
157.10117	11.3
159.11732	7.2
161.13289	5.5
162.07596	1.9
163.14885	2.3
164.14360	2.2
166.12302	20.9
167.10681	2.7
173.13284	3.7
175.11209	6.1
175.14822	2.0
180.08702	1.8
182.15402	47.7
184.07339	5.8
184.13344	22.3
187.14877	2.2
192.13811	8.0
193.12265	18.1
202.14510	1.4
210.14896	100.0
211.13338	2.0
222.14951	2.0
227.12801	3.3
228.16028	5.9
233.45558	1.6
240.15970	5.3
243.21014	5.6
249.14763	2.2
258.17145	6.9
261.22177	20.4
267.15921	95.6
284.18506	19.3
301.25153	1.5
302.19644	11.2
317.24948	2.0
335.25803	98.7
336.26071	2.4
380.08325	1.4
435.32538	3.5
453.33502	4.4
518.38165	7.4
527.37384	45.9
528.37762	2.0
536.39447	22.1
544.39911	12.9
545.38434	23.1
546.37970	1.6
562.41046	96.0
563.41211	3.7
580.41437	6.1
604.41364	2.3
646.43372	2.4
688.44000	1.7
706.44891	4.9
724.46344	54.7
725.47272	1.9
742.35150	2.5
742.47552	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.01878	12.1
55.05514	32.4
56.04794	2.2
56.05042	29.9
56.75732	2.1
57.03446	22.9
57.07077	3.4
60.08146	4.7
61.02936	16.4
62.07993	1.9
65.03934	3.6
67.05515	100.0
69.03445	12.2
69.06723	3.5
69.07075	40.1
70.06601	4.8
71.01346	4.9
71.04992	7.4
72.71069	2.3
73.02905	3.1
77.03912	1.9
79.05505	85.6
81.03423	18.1
81.06590	4.7
81.07068	95.4
83.04991	20.6
83.08632	19.4
85.02911	9.5
85.06548	5.9
86.09722	19.6
88.37242	2.1
91.03981	4.9
91.05492	59.7
93.07057	88.0
95.04993	12.1
95.08619	45.6
97.02884	10.2
97.06544	30.0
97.10184	18.2
99.04459	4.1
101.52789	2.1
105.07050	40.7
107.04986	9.4
107.08611	65.5
108.08862	2.4
109.06538	7.3
109.10171	24.7
111.04449	2.6
111.08076	9.0
117.07027	19.1
119.08596	31.8
121.06496	6.7
121.10168	25.1
123.08031	2.9
123.11726	7.7
123.28572	2.0
125.00024	13.3
125.09637	10.1
127.03907	3.4
129.06978	5.0
131.08565	15.1
133.10150	32.2
135.08060	5.7
135.11710	63.3
137.09644	3.2
141.07034	3.0
143.08577	3.6
145.10150	26.6
147.11673	7.6
149.02315	3.3
149.09682	15.9
149.13269	10.9
150.12750	2.6
151.11131	5.3
153.12749	5.4
157.10098	4.4
159.11720	12.2
161.09583	2.9
161.13287	5.4
163.11259	15.2
168.13861	96.1
169.10124	2.4
169.90784	1.8
171.11740	3.2
173.11896	2.2
173.13278	6.5
175.11241	2.9
177.12796	3.9
179.14424	2.7
181.12257	16.9
182.15436	2.8
184.05798	3.5
184.07379	54.0
185.13313	2.9
186.14955	6.0
189.11270	3.8
193.04889	3.1
193.12177	2.1
195.13803	3.9
210.14993	6.1
211.15253	2.4
224.16454	5.5
227.12764	13.6
239.18089	2.2
242.17580	27.1
243.15916	3.4
255.15945	96.1
257.19019	11.4
260.18512	10.1
267.15997	5.5
269.17484	12.6
275.20074	35.7
315.19366	2.0
335.25793	13.4
349.23801	23.6
351.21460	4.1
409.25897	4.1
425.25357	6.2
425.96176	1.9
433.29617	5.5
435.27518	27.0
449.29065	97.8
511.34381	2.4
520.40070	64.0
529.35303	58.0
547.36462	13.4
564.42657	52.4
593.32941	4.4
682.45123	23.3
708.46802	2.8
726.47864	56.1
744.42542	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01861	4.2
55.05518	18.3
56.05040	14.9
56.72593	1.4
57.03441	17.9
57.07080	2.3
60.08161	2.1
61.02924	7.8
65.03934	4.3
67.05508	77.0
69.03420	5.5
69.06732	2.1
69.07075	25.6
70.06584	3.6
71.01337	3.1
71.04999	7.0
71.52277	1.7
73.02938	2.3
79.05496	57.8
81.03428	14.9
81.07061	68.9
83.04987	13.6
83.08628	14.4
84.08146	1.6
85.02925	7.5
85.06537	4.6
86.09702	12.8
91.03965	1.5
91.05482	34.3
92.05792	1.9
93.07048	70.3
94.07364	1.6
95.04964	7.7
95.08612	30.4
97.02882	4.8
97.06548	16.5
97.10188	7.5
98.98480	2.6
99.08082	3.5
102.67073	1.5
105.04508	1.6
105.07043	23.2
107.04964	5.8
107.08600	47.5
109.06522	5.6
109.10152	13.8
111.08077	5.4
117.07034	13.9
119.08574	18.7
121.06533	3.5
121.10155	17.9
123.08041	3.1
123.11686	4.5
125.00011	6.9
125.09615	3.9
127.03905	2.4
129.07095	2.1
131.08559	13.4
133.06465	1.9
133.10146	18.6
135.08026	2.0
135.11697	46.9
135.12720	3.1
136.12041	1.4
143.08563	2.1
145.10130	13.5
147.11674	7.5
149.09636	6.9
149.13264	9.1
151.11208	3.2
153.12740	3.6
154.64606	1.5
157.10138	1.8
159.11713	8.5
161.09709	1.6
163.11189	9.8
168.13849	43.6
169.10094	1.8
171.11674	2.3
173.04370	2.2
173.13268	3.8
177.12793	1.7
181.12271	9.4
182.15439	4.5
183.11552	1.8
184.07362	36.4
186.14873	2.8
187.14793	1.5
191.26505	1.5
193.12204	2.5
195.13811	2.5
210.14915	8.2
213.14725	2.6
224.16435	1.9
227.12766	2.5
242.17496	13.9
255.15916	68.3
257.19049	4.2
260.18561	4.6
267.15939	9.9
269.17508	17.3
273.16772	2.3
275.20099	14.5
293.20972	1.5
335.25668	6.3
336.26208	1.8
337.27237	6.5
349.23837	11.3
367.24719	1.9
435.27570	23.3
449.29013	100.0
450.29199	3.5
520.39966	29.6
527.26361	1.5
529.34839	21.8
547.35699	7.0
564.42523	24.1
682.45154	9.9
726.47815	28.5
744.42236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.74990	0.9
55.05516	10.2
56.05039	31.8
57.03449	7.0
57.07098	1.0
58.06557	1.0
60.08175	1.3
60.60956	0.9
61.02941	7.4
65.03947	1.4
67.05510	28.1
69.03423	2.8
69.07069	8.9
70.06605	5.2
71.04990	1.8
72.04515	1.6
73.02912	3.0
79.05065	1.6
79.05498	19.3
80.05003	1.7
81.03413	4.3
81.06586	1.9
81.07065	33.2
82.06581	2.1
82.07398	1.4
82.37012	0.9
83.04983	2.3
83.08623	5.3
84.08129	2.6
85.02925	7.4
85.06570	1.8
86.09706	8.8
91.03949	3.2
91.05489	14.6
92.05805	1.0
93.07053	18.0
95.04962	4.0
95.08616	16.1
96.04503	1.7
97.02894	4.4
97.06519	2.7
97.10155	2.1
102.05534	1.1
102.34914	0.9
105.07036	10.1
107.08606	9.7
109.10176	7.9
117.07024	2.7
119.08604	5.1
121.10158	10.0
123.08088	1.4
123.11726	6.9
124.11211	1.3
125.00005	4.3
127.03930	1.3
131.08586	4.3
133.10149	8.9
135.11729	6.3
137.09612	1.2
145.10141	2.7
147.11690	1.8
149.09608	1.4
149.13274	2.2
150.12784	1.7
151.11205	3.0
159.11676	1.5
168.13855	100.0
169.14113	1.0
172.90584	0.9
175.11436	1.1
182.15384	1.0
184.07355	22.7
186.14946	7.0
187.14960	1.2
210.14909	1.8
211.15108	1.7
224.16460	7.2
242.17534	28.2
243.15907	2.9
255.15874	2.0
255.73315	1.0
260.18607	10.8
267.15997	1.8
268.16339	1.9
269.17163	1.5
285.19385	1.0
335.25821	10.5
336.25931	1.3
346.76483	1.0
425.85599	1.1
449.28815	1.1
502.38858	2.6
503.37689	1.4
520.40021	67.0
521.40363	1.8
529.35822	3.1
547.37170	1.6
562.41467	1.6
564.42590	44.4
565.42981	1.3
664.43976	2.3
682.45245	23.6
683.45941	1.5
708.46002	3.0
726.47900	55.6
727.47534	2.8
744.44904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66939	0.9
53.03939	2.9
55.01863	2.2
55.05272	1.3
55.05518	17.5
57.03442	9.7
57.07078	2.5
59.04991	1.2
60.08168	4.3
61.02923	2.7
63.90912	0.7
65.03942	3.2
65.49700	0.7
67.05511	71.2
69.03432	1.6
69.07070	16.5
69.94894	3.7
71.04994	8.9
71.07388	1.7
71.08646	0.9
73.02927	1.0
77.03931	0.9
79.05501	38.8
81.03415	3.8
81.07064	100.0
82.07407	1.0
83.05003	5.0
83.08620	14.6
83.56814	0.7
85.02914	4.1
85.06559	9.3
86.09711	22.1
91.03967	0.8
91.05488	22.7
92.05802	0.9
93.07053	48.2
94.07388	0.8
95.04956	4.5
95.08617	35.3
96.08979	0.8
96.72167	0.8
97.02908	2.4
97.06543	7.3
97.10190	2.9
98.98483	2.3
99.08124	2.4
104.10775	1.6
105.07034	14.4
107.07868	1.5
107.08609	25.0
107.48749	0.7
109.06533	2.2
109.10174	15.5
111.08058	4.9
113.05986	1.0
117.07021	8.9
119.08601	8.8
121.10155	18.2
123.11716	11.1
125.00024	15.4
129.06998	1.2
131.08589	13.0
133.10132	16.3
135.11707	15.7
137.13309	1.1
139.11209	1.4
145.10135	5.2
147.11716	3.5
149.09613	2.0
149.13261	14.8
151.11226	4.5
154.83130	0.8
158.51955	0.7
159.11707	12.8
161.13284	3.2
163.11237	1.0
163.14848	1.3
167.14293	1.0
169.12256	1.4
173.13303	2.7
175.14812	1.2
177.12791	4.9
179.14304	1.2
184.07362	71.9
187.13336	6.6
187.14833	1.5
193.12190	1.0
195.13835	5.7
211.13240	1.2
213.14839	2.7
223.37389	0.8
241.14281	1.6
243.15948	25.3
243.21149	2.2
261.22186	7.5
269.17496	19.9
285.17041	1.2
287.18564	39.6
287.23730	2.3
317.24811	1.4
335.25839	44.8
336.26239	2.4
361.27344	2.8
431.22626	1.1
437.34085	1.1
449.32495	1.1
489.35593	1.5
503.37354	92.5
504.37534	3.6
521.37817	1.5
529.39056	11.3
530.39154	1.1
546.38751	1.6
547.39954	36.3
548.40009	2.7
625.70941	0.8
691.43420	1.0
711.38757	0.9
744.49042	3.7
745.40576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.12216	0.8
55.01875	1.0
55.05516	15.9
55.76329	0.9
57.03441	10.3
57.07064	2.6
60.08152	3.2
60.55350	0.9
61.02914	3.6
62.75060	0.8
63.08692	0.9
65.03940	2.1
67.05508	69.7
68.40153	0.8
69.03436	1.9
69.07075	14.5
69.28387	6.1
71.04990	6.8
71.07367	1.8
79.05498	35.1
81.03413	2.7
81.07061	89.8
82.07381	1.3
83.04990	4.4
83.08624	10.9
85.02911	3.7
85.06547	8.6
86.09227	1.2
86.09715	19.3
91.05489	21.8
93.07050	48.4
95.04942	4.1
95.08614	34.8
97.02892	2.1
97.06527	7.8
97.10185	3.2
98.21478	1.8
98.98477	2.9
99.08102	2.0
102.20884	0.8
104.10728	1.5
105.04537	1.2
105.07045	12.4
107.08604	26.9
107.96413	0.8
109.06509	1.9
109.10160	12.5
111.08080	5.0
117.07027	6.1
119.08586	8.7
121.06485	1.0
121.10149	18.4
123.08050	1.1
123.11707	10.8
125.00022	12.0
126.14523	0.8
131.08582	10.2
133.10127	13.5
135.08083	1.4
135.11719	13.4
139.11209	1.4
145.10147	3.8
147.11697	3.7
149.13255	16.0
151.11168	5.4
155.13226	0.9
159.11685	10.9
161.13255	3.5
162.46190	1.0
163.14833	1.7
169.12187	1.4
171.11652	1.1
173.13237	2.9
174.04292	1.0
177.12819	4.2
184.07352	67.7
187.13295	5.9
187.14830	1.8
189.21638	0.9
195.13837	6.9
213.14859	2.6
241.14301	2.2
243.15945	20.3
243.21141	1.2
261.22153	8.5
269.17490	33.8
285.16940	1.3
287.18524	26.4
287.23688	2.0
317.24863	1.5
335.25812	58.9
336.26160	2.2
337.26709	1.1
361.27167	2.0
437.34143	1.2
489.35028	1.1
503.37341	100.0
504.37759	3.0
521.38434	2.5
529.38867	11.3
547.39929	43.1
548.40204	2.6
691.44000	2.3
744.47510	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01874	1.1
55.05517	11.6
57.02038	0.6
57.03446	5.8
57.07067	1.0
59.05005	2.6
61.02928	3.0
65.03952	2.0
67.05510	85.2
69.03442	1.4
69.07077	11.6
69.15536	6.1
71.05000	18.4
72.24950	0.5
73.02933	0.9
79.05498	29.9
81.03435	1.4
81.07062	35.0
82.07362	0.7
83.05000	3.0
83.08630	7.7
85.02920	2.5
85.06538	3.0
91.03998	1.1
91.05489	21.7
93.07053	35.2
95.04986	3.4
95.08614	28.0
96.08922	0.6
97.02901	1.6
97.06545	4.1
97.10197	1.7
99.08094	1.5
105.04523	0.8
105.07035	10.0
107.04958	0.7
107.08604	17.5
109.06544	0.9
109.10164	55.3
111.08060	3.7
117.07030	4.7
119.08590	15.2
121.10146	15.8
123.08090	1.1
123.11713	2.6
125.09657	0.7
131.08586	6.3
133.10141	7.1
135.11705	13.9
136.15987	0.5
137.09634	9.0
137.13295	0.8
145.10129	6.4
147.11684	4.2
149.13269	3.3
151.11212	0.7
155.10649	4.0
159.11745	2.9
161.13281	2.6
163.11185	3.1
163.14787	1.2
165.12862	1.0
169.12283	1.1
171.11880	0.9
173.11777	4.9
173.13321	3.0
175.14833	0.6
181.12259	1.1
184.07440	1.7
185.13177	0.7
187.13275	1.2
187.14871	1.1
213.14934	1.5
227.16470	0.7
229.14569	0.8
243.16026	1.7
243.21300	0.9
255.15880	5.1
261.22202	2.8
267.15948	0.9
269.17493	0.9
287.18546	17.8
335.25815	29.0
336.26266	1.0
337.26788	0.8
363.25406	0.8
397.31247	1.2
423.32791	1.2
471.34790	2.8
489.35779	100.0
490.36169	3.8
503.37192	3.0
515.37354	14.6
547.39972	84.3
548.40448	4.2
691.43774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.35207	0.2
55.01879	0.6
55.05515	2.9
56.05844	0.4
57.03440	2.6
57.07067	0.3
59.04996	0.3
60.08162	0.6
61.02931	5.4
64.08614	0.3
65.03941	0.6
67.05510	11.0
68.05833	0.9
69.03430	3.5
69.07077	2.5
70.07395	0.4
70.88598	0.3
71.01354	0.4
71.04997	0.8
73.02924	3.6
75.46938	0.3
79.05497	5.5
80.05849	0.5
81.03414	2.4
81.07063	9.6
82.07384	1.2
83.04989	0.8
83.08630	1.4
84.08949	0.3
85.02907	5.0
85.06571	0.9
86.09723	2.4
87.04464	0.6
91.03963	3.2
91.05493	3.5
93.07053	6.6
94.07402	1.0
95.04967	1.0
95.08611	6.2
95.53417	0.3
96.08964	0.6
97.02895	4.6
97.06541	1.0
97.10199	0.4
99.04478	1.0
101.02398	1.8
105.07043	2.6
106.07368	0.5
107.04968	0.4
107.08609	4.2
108.08923	0.7
109.02901	0.5
109.06561	0.5
109.10160	2.6
110.10534	0.3
111.08126	0.3
115.03941	0.4
117.07032	1.3
119.08594	2.2
121.10155	3.3
123.11725	1.1
125.00009	1.9
127.03928	1.7
131.08609	1.0
133.10123	1.8
134.10458	0.4
135.08113	0.3
135.11736	2.6
136.12025	0.5
145.10162	1.4
147.11708	0.7
149.13289	1.2
157.10127	0.3
159.11714	0.9
161.13324	0.7
163.11186	2.1
163.14803	0.4
169.10437	0.3
173.13226	0.5
184.07358	9.2
184.09018	0.5
185.04175	0.6
185.07669	1.5
219.09946	0.4
227.12840	1.3
243.08347	2.0
243.15976	0.9
244.16335	0.4
249.10994	13.3
261.22281	0.7
262.22565	0.5
269.17535	1.2
270.17905	0.7
287.18616	1.5
288.18976	1.1
305.13751	1.2
335.25797	3.6
336.26056	2.2
337.26941	0.4
338.27094	0.3
467.18964	5.1
503.37637	1.3
504.37634	3.8
519.29321	9.3
519.37085	0.5
529.39301	0.6
530.39142	2.4
546.38702	0.5
547.38995	1.4
548.40106	3.1
618.74017	0.3
745.41327	100.0
746.41565	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	746.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05024	0.7
57.03428	0.3
57.07071	0.3
58.06603	0.4
60.08166	5.6
61.02921	0.2
67.05237	0.1
67.05513	1.6
69.07076	0.5
70.06600	0.2
71.04996	0.2
71.07376	3.1
71.08633	0.3
79.05489	0.5
81.07064	1.6
83.08629	0.4
86.09709	29.3
89.06042	1.1
91.05473	0.3
93.07062	0.5
95.08614	0.8
97.06506	0.2
97.10180	0.2
98.20662	0.2
98.98472	2.5
104.10757	1.8
105.07015	0.2
107.08576	0.3
109.09536	0.2
109.10201	0.5
121.10088	0.2
123.11827	0.2
125.00011	21.2
133.08600	0.5
133.10127	0.3
143.01118	0.3
177.11214	0.4
184.07347	100.0
185.07719	0.4
243.16016	0.4
287.18509	0.5
295.99542	0.2
336.26416	0.2
337.27228	0.3
368.03168	0.2
471.53516	0.2
491.36722	0.3
505.38803	0.9
549.41156	0.8
714.46484	0.9
746.49554	7.4
747.41901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93535	1.1
56.94307	0.6
57.03427	0.5
57.84333	0.4
68.99809	0.6
69.03447	2.4
70.06573	1.0
70.95845	0.7
71.52650	0.7
72.93787	3.4
80.92605	0.4
81.03410	2.8
84.08136	0.6
85.02913	4.2
90.94817	3.5
97.02900	5.4
98.03291	0.4
99.04450	0.5
102.94855	0.7
104.64937	0.4
108.95853	0.4
109.02857	1.6
120.34747	0.4
125.02337	1.1
127.03916	0.9
128.96356	0.9
132.95862	4.5
140.96327	1.0
144.95828	2.3
145.04959	0.7
149.02364	0.7
150.96866	2.6
154.97987	0.5
156.95844	1.6
158.97414	4.9
160.95264	0.5
162.96956	0.8
167.03419	1.9
167.07037	0.5
168.95821	3.2
170.97398	1.4
174.96896	1.8
176.98473	1.6
177.09145	0.5
178.96365	0.5
182.97459	1.4
184.95366	0.6
186.96919	1.7
190.96268	0.6
192.95898	0.8
196.95334	3.5
197.04469	0.7
197.95979	0.8
198.93199	0.4
198.96883	4.9
200.94864	0.5
200.98531	0.6
202.96358	0.6
208.95317	0.6
210.93404	0.8
210.96936	3.5
212.94800	1.1
212.98326	0.7
213.95610	0.5
214.96402	6.1
216.97990	3.6
220.95465	0.6
221.04529	0.5
222.97025	1.4
224.94777	0.6
226.96358	5.3
227.93492	0.6
228.94347	6.0
228.97913	1.8
230.95879	1.7
231.96626	0.8
232.97418	2.8
234.96913	0.8
234.98985	4.0
236.98422	0.7
238.96352	7.3
240.94359	0.6
240.98003	1.9
242.92145	0.7
242.95874	1.5
244.97478	6.0
246.95383	16.7
250.96448	1.4
251.95959	0.5
252.94255	1.2
252.98027	1.3
254.95790	5.5
256.97458	23.1
257.97943	0.7
258.98962	0.8
260.96896	0.8
262.96481	0.7
264.97986	1.1
266.96033	0.8
268.97421	4.2
269.94620	1.9
270.95370	1.7
270.99072	0.5
272.96976	4.3
274.98541	10.3
277.00195	0.8
279.99066	1.0
280.97369	2.9
282.98962	2.7
284.96811	0.7
291.96716	1.4
292.97510	4.6
294.98911	1.7
296.97003	2.7
297.97623	0.9
298.98526	12.8
302.96140	0.8
306.99045	1.0
308.96921	0.7
309.97839	1.2
310.98560	3.7
313.00070	0.7
316.97330	0.5
318.99109	1.3
320.96933	7.5
322.98502	5.0
325.00140	2.0
328.99704	0.9
334.98483	24.9
337.97241	1.2
338.97977	10.4
340.99802	2.4
341.03336	0.5
344.96918	0.6
346.98441	0.6
352.99475	1.7
357.99762	0.7
359.00671	1.8
362.98029	8.1
364.99533	2.2
376.01193	0.9
379.03293	1.1
380.99051	12.6
383.00510	2.5
386.97690	0.6
401.01688	100.0
402.02164	2.1
404.98938	2.4
419.02585	1.3
421.99734	0.9
423.00101	38.9
424.00259	1.1
442.04443	1.0
443.02811	3.6
465.01254	2.0
563.06750	1.9
585.05469	11.7
601.17761	0.5
611.02734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3783
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03936	0.6
55.05519	1.1
57.03452	2.2
59.05005	0.5
61.02942	3.6
67.05511	3.4
69.03439	2.4
69.07076	1.4
69.23959	0.9
69.24371	2.8
70.06621	0.7
71.04998	2.3
71.63198	0.3
73.02935	2.8
79.05504	3.8
81.03426	4.8
81.07059	3.6
83.08631	1.6
84.04535	0.9
85.02914	4.9
85.06566	0.4
87.04492	0.6
91.03981	2.7
91.05495	4.1
93.07059	2.7
95.04982	2.3
95.08656	1.4
97.02900	3.7
97.06556	0.9
99.04505	0.8
99.08143	0.4
101.02406	1.5
103.03915	0.5
105.07064	2.5
107.04978	0.8
107.08622	1.4
109.02926	0.9
109.06536	1.2
109.10146	0.6
111.08108	0.9
115.03927	0.4
117.07035	0.5
119.08620	1.7
121.10154	3.9
123.04478	0.4
123.47428	0.4
127.03969	1.7
127.07563	0.4
129.05608	0.5
129.07040	1.3
131.08629	1.9
133.10153	2.2
137.09677	0.6
139.11159	1.0
145.05028	0.6
147.07971	0.4
147.11743	2.0
149.09628	2.2
157.10193	1.3
159.07974	0.4
165.12860	0.7
175.11211	1.9
177.12788	0.4
185.04301	0.7
193.12253	3.6
211.13496	0.5
225.11037	0.5
225.14970	0.7
243.08400	2.6
251.12718	0.6
267.16074	1.2
269.13736	1.4
276.16119	0.6
283.15250	4.5
294.17188	0.5
319.59674	0.4
325.16574	0.5
339.17966	0.5
443.18970	6.3
468.30249	0.4
469.20624	3.7
487.21582	8.7
501.23096	15.4
550.30359	0.7
573.25031	0.7
585.34192	1.5
684.44769	0.4
703.35266	2.9
729.35345	1.8
747.37872	100.0
748.38116	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05505	1.0
57.03432	1.8
57.07082	0.8
61.02929	4.2
65.99370	0.5
67.02204	0.4
67.05509	3.7
67.14835	0.5
69.03436	3.5
69.07078	1.1
69.17259	4.9
70.06591	0.5
70.74306	0.5
71.05022	0.6
73.02934	3.8
73.72160	0.5
79.05500	3.2
81.03425	4.2
81.07064	4.3
83.08624	1.6
85.02910	5.7
86.09712	2.4
89.06045	0.9
91.03961	2.7
91.05482	2.3
93.07056	3.6
95.04984	2.0
95.08619	3.2
97.02895	4.0
99.04468	1.1
101.02390	1.9
105.07047	2.1
107.08611	1.8
109.02888	0.9
109.10174	1.3
109.34559	0.4
111.04487	0.5
111.08067	0.5
119.08596	1.6
121.10168	2.0
124.99993	1.6
127.03950	1.1
129.07016	0.5
131.08623	1.1
133.10164	1.4
135.11713	0.8
145.10126	0.6
147.11639	1.2
149.13200	0.5
174.15007	0.4
175.11209	1.1
184.07365	8.1
185.04216	0.6
185.07680	1.2
193.12230	2.2
211.13345	1.5
243.08394	2.3
251.12567	2.7
272.64505	0.4
307.15149	0.6
335.25940	0.7
469.20450	9.5
519.29218	4.4
559.62213	0.5
747.42896	100.0
748.43457	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05505	1.0
57.03432	1.8
57.07082	0.8
61.02929	4.2
65.99370	0.5
67.02204	0.4
67.05509	3.7
67.14835	0.5
69.03436	3.5
69.07078	1.1
69.17259	4.9
70.06591	0.5
70.74306	0.5
71.05022	0.6
73.02934	3.8
73.72160	0.5
79.05500	3.2
81.03425	4.2
81.07064	4.3
83.08624	1.6
85.02910	5.7
86.09712	2.4
89.06045	0.9
91.03961	2.7
91.05482	2.3
93.07056	3.6
95.04984	2.0
95.08619	3.2
97.02895	4.0
99.04468	1.1
101.02390	1.9
105.07047	2.1
107.08611	1.8
109.02888	0.9
109.10174	1.3
109.34559	0.4
111.04487	0.5
111.08067	0.5
119.08596	1.6
121.10168	2.0
124.99993	1.6
127.03950	1.1
129.07016	0.5
131.08623	1.1
133.10164	1.4
135.11713	0.8
145.10126	0.6
147.11639	1.2
149.13200	0.5
174.15007	0.4
175.11209	1.1
184.07365	8.1
185.04216	0.6
185.07680	1.2
193.12230	2.2
211.13345	1.5
243.08394	2.3
251.12567	2.7
272.64505	0.4
307.15149	0.6
335.25940	0.7
469.20450	9.5
519.29218	4.4
559.62213	0.5
747.42896	100.0
748.43457	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10513	0.9
54.00825	0.8
54.07990	0.8
55.01862	4.5
55.05519	5.1
57.07081	12.3
60.08175	6.5
67.05509	10.3
69.07066	6.4
71.04997	0.8
71.07376	3.4
71.08644	8.3
71.12558	1.3
71.12887	1.2
79.05497	6.2
81.03416	1.1
81.07059	25.9
83.04996	2.5
83.08625	4.5
83.37509	0.9
85.06541	1.1
85.10211	4.3
86.01669	0.9
86.09710	31.9
91.05489	3.5
93.07040	6.1
95.08614	10.1
97.06544	0.9
97.10180	2.1
98.24045	0.8
98.98470	3.6
104.10744	2.8
105.07006	2.1
107.08574	4.0
109.06520	9.4
109.10181	6.3
111.04443	14.6
119.08604	4.7
121.10160	4.9
123.08076	2.1
123.11719	2.5
125.00021	18.8
125.05994	4.9
131.08578	1.7
133.10133	6.2
135.08061	2.8
135.11717	4.0
137.05988	100.0
137.13257	3.1
138.06348	1.2
143.08549	1.7
145.10129	2.0
147.08006	1.0
147.11705	6.5
149.09641	4.3
151.07538	2.0
151.11113	1.2
157.10156	1.8
159.11650	1.4
161.09613	7.7
161.13312	2.2
163.03964	2.1
163.11226	3.9
165.09126	2.3
165.12823	1.2
171.11691	1.0
175.11201	5.4
175.14818	1.3
177.12758	0.9
179.10733	2.3
184.07352	97.0
189.12825	2.0
193.12288	2.0
195.00301	2.5
203.17950	6.4
213.16396	3.6
221.19052	2.3
231.17448	10.1
241.15913	1.1
249.18520	5.4
249.90065	0.8
277.18018	42.4
282.27911	2.8
295.19006	7.0
313.27365	16.4
320.22198	5.3
351.21646	10.9
402.44736	0.8
415.11996	0.9
436.28006	1.0
454.28827	1.2
518.92432	0.9
576.39240	1.1
589.44635	89.8
590.44867	2.7
606.84052	0.9
607.45697	22.1
631.14685	1.0
671.16840	1.0
698.37219	1.3
712.45093	1.2
730.46173	3.7
748.51648	4.6
748.74603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53959	0.2
55.05511	0.4
56.05025	0.8
58.06616	0.4
60.08167	5.3
65.67197	0.2
67.05491	0.8
69.07056	0.3
71.05003	0.2
71.07375	3.4
79.05496	0.3
81.03404	0.2
81.07053	0.9
86.09710	31.0
93.07048	0.5
95.08596	0.3
98.21459	0.4
98.98466	3.3
102.25701	0.2
104.10754	2.0
109.10143	0.2
119.08723	0.2
125.00010	19.0
129.78450	0.2
137.05984	1.6
163.11131	0.2
184.07349	100.0
185.07669	0.7
193.36395	0.2
195.00327	0.5
218.70525	0.2
277.18030	0.6
313.27652	0.4
470.30649	0.2
484.26340	0.2
507.40347	0.4
523.67938	0.2
589.44666	1.2
607.45892	0.3
698.36713	0.3
716.48297	0.6
748.51373	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	748.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44228	0.2
53.86372	0.2
55.05501	0.6
56.05033	0.8
57.07082	0.4
58.06607	0.5
60.08170	6.1
67.05508	1.4
68.66825	0.2
69.07066	0.8
70.06591	0.2
71.04993	0.3
71.07384	3.3
71.08642	0.3
71.53458	0.3
79.05482	0.5
81.03415	0.3
81.07062	1.3
83.08633	0.6
85.06538	0.3
86.09713	29.6
91.05505	0.4
93.07065	0.7
95.08611	0.7
97.10193	0.3
98.98478	3.0
104.10763	2.6
105.07056	0.3
107.08574	0.4
121.10187	0.6
123.11704	0.2
125.00015	20.4
131.08568	0.2
133.10144	0.3
133.62379	0.2
137.06018	0.3
173.19931	0.2
184.07355	100.0
185.07756	0.3
195.00319	1.1
196.00865	0.2
262.07272	0.2
287.18674	0.4
313.27420	0.3
339.29120	0.5
507.40533	1.1
550.48724	0.3
551.42975	0.4
576.39954	0.4
589.44550	0.8
698.37054	0.4
716.49164	1.1
748.51410	7.4
749.41382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91954	0.3
53.03938	1.0
55.01873	0.5
55.05507	1.5
56.69918	0.3
57.03441	2.2
57.07070	1.0
61.02931	5.5
67.05508	7.0
67.05843	0.6
69.03436	3.4
69.07070	1.7
70.68203	0.8
70.68578	0.6
71.01344	0.7
71.05006	2.3
71.08630	0.8
73.02922	4.0
79.05489	3.8
81.03413	3.2
81.07064	5.4
82.52383	0.4
83.05014	0.4
83.08624	1.4
85.02911	6.3
86.09708	1.7
87.04465	0.4
91.03967	3.1
91.05488	2.3
93.07047	4.2
95.04976	0.9
95.08611	4.7
97.02893	5.0
97.06511	0.5
99.04475	1.5
101.02367	1.8
105.07029	1.6
107.08587	2.3
109.02890	0.7
109.10156	3.1
114.23196	0.3
115.03931	0.5
117.07034	0.7
119.08593	1.7
121.10134	2.0
123.11727	0.3
125.00012	1.3
127.03930	2.2
131.08630	0.6
133.10204	0.9
135.11734	1.3
137.09636	0.8
145.10123	0.5
147.11711	0.7
149.13231	0.5
159.11714	0.5
173.11732	0.3
175.11263	0.4
184.07350	5.4
185.04195	0.8
185.07759	1.1
186.07832	0.6
193.12309	0.8
225.76367	0.3
229.14343	0.5
243.08458	2.5
249.51335	0.4
253.14140	1.8
267.15933	1.7
309.47470	0.4
313.27362	1.8
335.25894	0.8
427.18829	0.4
439.19290	0.5
440.30185	0.3
471.22083	4.0
505.39008	1.3
519.29358	6.9
543.01514	0.3
687.99561	0.3
749.44434	100.0
750.44684	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	752.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97695	0.5
55.05466	1.0
55.05687	0.4
57.03381	1.0
61.02883	0.9
67.05448	1.2
69.03365	1.5
69.07021	0.6
70.06541	0.6
70.46082	1.4
73.02869	0.9
74.23879	0.5
79.05466	0.5
81.03355	0.9
81.06987	1.5
85.02913	14.9
85.03369	1.0
87.04397	1.8
91.05396	1.2
93.06997	0.5
95.08551	0.6
97.02830	1.2
107.07305	1.0
107.08549	0.5
109.02781	0.5
109.10020	0.5
113.02272	1.8
116.07011	0.5
117.05711	0.7
118.06541	4.5
120.08039	0.9
130.06438	1.9
131.03267	0.5
131.07219	1.6
132.08112	3.4
133.10071	0.5
139.84203	0.5
144.07977	1.4
145.08839	0.5
146.09676	3.9
147.04338	0.6
157.25401	0.5
158.09505	0.8
160.11188	0.8
172.11176	1.0
174.12666	0.5
188.14310	0.5
202.15840	1.0
228.17447	1.3
230.15646	0.5
233.75446	0.5
253.03821	0.5
256.16895	1.7
258.18469	0.5
265.10687	0.5
267.15775	0.7
276.12225	0.8
312.26773	1.0
324.26874	4.0
338.27213	0.5
340.26376	9.5
358.27487	1.2
368.25861	26.5
369.26169	0.7
386.22141	1.0
386.26913	14.6
404.27963	3.9
430.29633	0.6
435.27524	0.8
436.68069	0.5
438.26682	1.1
442.29541	3.4
456.27429	0.8
460.30624	10.1
472.30417	0.7
478.31506	0.6
498.28589	7.3
516.29541	5.6
528.33136	4.5
534.30756	1.4
546.34204	4.4
572.32068	11.1
590.33282	100.0
591.33594	3.3
752.38580	59.1
753.38873	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	752.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
57.03440	2.4
61.02921	2.0
67.05490	2.0
69.03426	1.3
69.51010	0.8
70.06599	1.5
71.52740	0.7
73.02925	0.9
76.53825	0.8
79.05479	1.6
81.03421	2.6
81.07053	2.8
81.18295	0.8
83.13019	0.8
85.02908	14.6
86.09681	1.0
87.04494	1.7
88.31135	0.8
91.05453	2.3
93.07059	1.3
95.08667	1.1
97.02908	1.8
105.07039	0.9
113.02386	1.4
118.06554	3.6
119.08568	0.9
130.06581	2.6
131.03406	1.0
131.07324	1.9
132.08104	3.4
133.08836	0.9
133.10201	1.1
142.03542	0.8
144.08136	2.2
146.09682	2.8
147.04485	1.1
148.45264	0.8
192.60907	0.9
202.15973	1.3
228.17487	1.3
256.16931	2.1
265.10876	1.6
312.26984	1.2
324.26965	5.0
340.26349	8.6
340.29987	1.3
358.27582	1.2
368.25845	27.6
386.26868	12.2
398.41785	1.0
404.27820	1.8
438.26279	1.3
442.29306	4.2
460.30624	9.9
478.31873	1.1
491.26691	1.0
498.28589	7.6
516.29590	5.4
528.33356	7.2
534.31104	1.1
546.34332	3.8
548.32269	1.2
572.32178	14.5
590.33258	100.0
591.33661	3.7
752.38495	57.2
753.39313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01878	9.9
55.05516	9.4
57.03429	3.0
57.07086	1.3
65.03957	1.2
67.05511	20.8
69.03438	1.0
69.07071	13.6
71.04996	1.1
71.52718	1.6
72.54214	0.8
79.05502	27.2
81.03404	5.9
81.07069	27.2
82.04606	1.1
83.04995	7.0
83.08623	4.3
85.02895	1.4
91.04915	1.5
91.05488	30.5
93.07049	21.7
95.01336	2.7
95.04967	5.9
95.08057	1.8
95.08618	16.9
97.06541	19.0
97.10155	2.1
105.07040	34.2
107.04984	8.3
107.08621	8.7
109.06523	3.4
109.10197	2.9
117.07037	7.4
117.40424	0.9
119.08611	18.8
119.48288	1.0
121.06464	1.7
121.10135	4.4
123.08067	2.4
129.07025	5.1
131.08592	6.9
133.10147	19.3
135.08051	1.1
135.11688	3.7
137.09642	1.2
143.08560	4.2
145.10136	7.9
147.11685	14.4
149.09645	4.4
149.13220	1.7
157.10147	1.4
157.37195	1.0
159.11731	4.3
161.13269	3.6
163.11179	2.8
165.09122	1.2
171.11694	4.5
173.13300	1.7
177.12801	1.8
179.14319	4.0
184.07301	1.5
189.12721	2.7
204.47551	1.0
207.13844	4.0
207.19366	1.1
220.61333	0.9
257.19031	1.9
259.20648	1.2
265.15790	1.0
275.20093	31.6
279.15939	2.5
281.17517	27.5
293.21173	2.5
339.23547	1.1
341.45117	1.0
343.84406	1.0
349.23807	15.4
431.00787	1.1
487.02234	1.4
537.35736	1.2
555.36865	100.0
556.36975	2.7
573.38214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01878	9.9
55.05516	9.4
57.03429	3.0
57.07086	1.3
65.03957	1.2
67.05511	20.8
69.03438	1.0
69.07071	13.6
71.04996	1.1
71.52718	1.6
72.54214	0.8
79.05502	27.2
81.03404	5.9
81.07069	27.2
82.04606	1.1
83.04995	7.0
83.08623	4.3
85.02895	1.4
91.04915	1.5
91.05488	30.5
93.07049	21.7
95.01336	2.7
95.04967	5.9
95.08057	1.8
95.08618	16.9
97.06541	19.0
97.10155	2.1
105.07040	34.2
107.04984	8.3
107.08621	8.7
109.06523	3.4
109.10197	2.9
117.07037	7.4
117.40424	0.9
119.08611	18.8
119.48288	1.0
121.06464	1.7
121.10135	4.4
123.08067	2.4
129.07025	5.1
131.08592	6.9
133.10147	19.3
135.08051	1.1
135.11688	3.7
137.09642	1.2
143.08560	4.2
145.10136	7.9
147.11685	14.4
149.09645	4.4
149.13220	1.7
157.10147	1.4
157.37195	1.0
159.11731	4.3
161.13269	3.6
163.11179	2.8
165.09122	1.2
171.11694	4.5
173.13300	1.7
177.12801	1.8
179.14319	4.0
184.07301	1.5
189.12721	2.7
204.47551	1.0
207.13844	4.0
207.19366	1.1
220.61333	0.9
257.19031	1.9
259.20648	1.2
265.15790	1.0
275.20093	31.6
279.15939	2.5
281.17517	27.5
293.21173	2.5
339.23547	1.1
341.45117	1.0
343.84406	1.0
349.23807	15.4
431.00787	1.1
487.02234	1.4
537.35736	1.2
555.36865	100.0
556.36975	2.7
573.38214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01847	1.2
55.05519	6.4
57.03449	11.5
57.07083	24.1
61.02904	0.8
65.03923	1.2
67.05191	0.9
67.05512	14.0
69.03420	1.2
69.06788	0.7
69.07075	7.0
69.16573	6.6
71.04984	1.5
71.08639	21.2
74.09697	0.8
75.70985	0.6
79.05502	7.4
81.03426	57.1
81.06602	1.2
81.07066	17.0
82.37342	0.7
83.04963	2.5
83.08161	1.1
83.08626	16.9
85.02888	0.7
85.06554	0.8
85.09719	0.9
85.10198	10.5
86.09692	0.8
86.98846	0.7
87.04457	0.9
89.06039	1.3
91.05492	9.5
93.07063	5.1
95.04981	15.0
95.08617	18.3
97.02882	1.7
97.06520	1.6
97.10174	4.9
103.07573	0.9
105.06502	0.7
105.07043	7.5
107.04967	4.0
107.08590	2.7
109.06506	2.5
109.10154	8.6
111.04433	1.1
111.08078	4.9
111.11737	0.8
115.05462	1.2
119.08598	7.4
121.06500	2.3
121.10127	3.8
123.04433	1.2
123.11700	2.5
124.99982	0.9
129.07011	5.1
131.08598	5.2
133.06490	2.8
133.10138	3.0
135.11624	1.0
137.09660	1.3
137.13148	0.9
142.07782	1.0
147.04407	0.7
147.08057	2.9
147.11717	5.1
149.09625	3.7
157.10112	7.3
163.11179	1.3
165.12766	1.4
171.11784	0.8
173.89720	0.7
175.11176	6.7
184.07399	1.7
193.12277	19.5
211.13297	1.0
235.13326	1.0
239.23627	1.2
249.14825	1.6
257.24774	1.5
267.15948	100.0
268.16339	2.5
308.47284	0.7
313.27402	96.6
314.27844	2.3
395.07727	0.8
505.38940	82.0
506.39267	2.6
523.39691	1.5
547.39783	2.8
555.40607	0.8
601.41510	1.5
752.46698	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	752.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01869	1.1
55.05518	6.8
57.03442	11.6
57.07079	24.9
62.75381	0.6
65.03912	0.8
67.05508	12.2
69.03410	2.0
69.07073	8.0
70.31832	0.6
70.68166	0.7
70.68494	1.6
71.04983	1.3
71.08637	21.3
79.05493	6.8
81.03421	57.1
81.07062	17.7
81.44778	0.7
83.04975	2.8
83.08624	19.4
85.02930	0.7
85.10185	10.5
89.06025	1.6
91.05487	10.5
93.07037	5.6
95.04973	15.9
95.08614	16.9
97.02906	1.3
97.10182	4.8
99.08103	0.8
99.11769	0.7
100.95605	0.7
105.07034	7.6
107.04955	3.9
107.08598	2.8
109.06525	1.6
109.10169	7.8
111.04440	1.7
111.08081	4.9
111.11719	1.3
115.05464	1.0
117.06999	0.8
119.08600	7.7
121.06541	1.8
121.10142	4.2
123.04420	1.3
123.08115	1.8
123.11709	2.9
125.09623	0.9
129.06982	5.1
131.08583	4.1
133.06500	2.3
133.10141	3.0
133.95883	0.8
135.08115	0.9
135.11708	1.1
137.09665	1.3
137.13306	1.1
142.07784	2.0
145.10104	1.0
147.08017	2.1
147.11700	5.2
149.09602	2.9
157.10118	8.4
163.11235	1.2
165.12770	1.3
175.11166	8.4
184.07370	1.4
193.12263	20.0
211.13310	1.7
229.14336	1.3
235.13310	0.9
239.23741	2.5
249.14799	1.9
257.24811	1.6
259.13300	0.7
267.15927	100.0
268.16302	1.4
273.14819	0.8
301.14258	1.4
309.16986	1.8
313.27374	91.2
314.27679	1.9
505.38916	77.9
506.39230	2.6
523.39978	2.1
547.39838	2.8
601.41248	0.9
631.41797	1.0
767.42859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
65.03947	1.6
67.05508	2.1
69.03426	0.6
69.07057	0.5
69.80249	1.4
71.01341	0.3
72.22966	0.3
76.47616	0.3
79.05497	1.4
81.03418	1.2
81.07068	1.7
81.93305	0.3
91.05489	13.3
93.07050	1.2
95.04984	1.0
95.08614	1.2
97.02908	0.3
97.10162	0.3
105.07050	0.5
107.04950	1.1
107.08598	0.6
107.14781	0.3
109.10154	0.8
119.04952	27.4
119.08594	0.7
121.10162	0.7
128.06270	0.3
131.08626	0.3
133.06508	0.3
133.10127	0.5
135.11691	0.5
138.82997	0.3
141.07016	0.6
143.08479	0.3
145.10167	0.5
147.04422	100.0
147.19795	0.2
148.04776	1.0
149.13217	0.3
151.03996	0.4
155.08600	0.4
157.06476	0.6
167.03473	0.3
169.06596	0.4
185.04442	1.0
185.05923	0.5
187.07573	0.6
188.80986	0.3
203.07069	0.4
209.04379	0.4
211.07483	0.3
213.05533	0.6
231.06480	2.6
255.06583	0.4
257.08200	0.9
261.22086	0.5
267.15933	0.5
268.16238	0.3
273.07559	0.4
275.05594	0.3
291.08749	0.4
313.27271	0.4
314.27914	0.4
361.36844	0.3
369.24139	0.3
387.25500	0.4
391.83667	0.3
405.21017	0.3
506.39462	0.3
551.30017	0.7
569.31061	0.9
609.26331	0.6
708.16290	0.3
753.34021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
53.57958	3.6
55.01870	7.3
55.05511	37.8
57.03444	9.6
65.03924	4.8
67.05511	76.5
69.03434	23.4
69.07069	28.0
71.05000	28.6
71.52492	4.1
79.05496	49.2
81.03429	42.5
81.07063	100.0
83.04978	15.6
83.08619	16.7
84.36707	3.5
85.02904	8.6
85.06522	9.2
88.31894	3.3
91.05494	38.4
93.07047	41.5
95.04976	12.4
95.08611	29.0
97.02896	12.9
97.06527	13.2
97.10172	14.7
99.04443	5.0
105.07029	37.1
107.04934	9.8
107.08622	28.8
109.02888	12.7
109.06504	6.8
109.10163	21.1
111.04420	8.8
111.08101	7.1
115.83084	4.4
117.07030	15.4
119.08612	22.6
121.06472	5.9
121.10158	10.6
123.08061	8.4
123.11724	13.7
125.09650	11.5
127.03903	6.6
129.05508	4.7
129.07021	9.2
131.08586	23.2
133.10139	25.2
135.08069	7.5
135.11673	7.1
143.08560	4.4
145.10147	11.7
147.08029	9.0
147.11705	5.3
149.09599	4.7
149.13303	8.9
151.11229	9.6
157.10146	8.0
159.11732	11.4
163.11160	6.1
169.24800	3.7
171.11676	6.2
173.04425	12.0
175.11230	8.3
177.12706	7.0
185.13261	4.8
187.13306	9.5
189.11295	8.6
196.18681	4.1
203.27354	3.9
211.13232	5.4
223.13300	16.0
227.12782	9.5
267.16089	6.3
269.17484	6.0
273.18536	14.2
291.19550	81.1
365.23239	30.0
413.21933	6.6
440.33740	3.8
443.59973	4.0
445.24451	5.9
461.29016	5.8
533.34692	40.6
541.35309	3.8
547.36450	6.2
559.36407	60.8
591.38843	18.8
703.40430	10.6
721.41345	5.9
735.43292	26.1
753.39673	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	756.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01867	2.9
55.05507	4.3
56.05038	6.1
57.03432	3.6
57.36610	0.9
58.99590	16.6
61.02930	5.5
67.05507	23.5
67.05840	1.9
68.05034	3.1
69.03428	2.9
69.07079	5.7
70.02924	0.9
70.06602	1.5
71.04952	2.3
73.01113	1.8
73.02923	2.7
74.00662	2.0
76.02233	39.7
76.04007	3.9
79.05495	13.1
80.05020	3.6
81.03409	2.3
81.06588	1.5
81.07060	29.2
82.06587	1.6
83.04994	2.0
83.06102	7.9
83.08640	5.9
84.03650	1.1
84.04508	11.4
84.08121	1.2
84.95342	1.0
85.01138	1.9
85.02915	6.3
85.06528	1.8
86.00657	6.3
86.99069	5.9
87.02683	2.6
88.02220	6.1
91.03960	2.3
91.05490	13.1
93.07047	24.0
94.06580	3.3
95.04967	2.1
95.08618	9.6
96.04508	0.9
97.01119	10.4
97.02897	4.5
97.06522	4.5
99.02705	2.4
99.05569	1.7
99.08073	1.3
100.02207	1.7
101.04216	0.9
102.05567	6.7
105.07027	7.2
107.08609	9.1
108.08094	1.2
109.06545	1.3
109.10136	2.6
111.02673	19.2
111.08073	2.6
112.04005	1.2
114.03786	4.8
114.05536	2.2
116.01685	30.4
117.07029	6.6
119.08592	2.5
120.08186	1.1
121.10159	6.4
123.02642	3.3
123.11742	2.2
125.04160	1.3
126.03728	1.4
129.06581	11.1
130.05009	6.5
131.08557	6.5
133.10156	8.6
135.11688	5.3
136.03900	2.0
137.04230	8.5
139.05745	1.3
141.04832	1.3
142.03229	11.3
143.02777	2.5
144.01158	14.8
145.06117	2.7
147.11685	1.7
149.04185	1.5
149.09583	1.8
149.13258	15.8
151.05756	1.5
151.11156	4.6
153.06570	1.6
157.10144	1.6
159.11685	10.4
161.04218	1.9
162.02213	37.1
164.07108	1.5
170.02716	3.6
173.13293	1.6
177.12784	9.1
179.04869	27.5
181.06044	1.5
183.08426	2.2
186.07635	1.9
187.05391	4.3
188.03595	0.9
189.03313	2.8
191.08916	1.7
193.06209	1.6
194.15399	3.1
195.13797	7.0
198.14943	1.3
199.07196	1.3
201.12813	1.4
204.08679	1.6
206.15483	1.5
207.12000	3.2
208.05951	1.3
209.10005	2.9
211.06082	2.0
212.16489	1.5
215.04831	4.4
217.10486	2.8
218.04884	2.4
218.15550	1.7
223.11671	1.5
224.16467	2.9
225.13202	2.2
226.12621	4.1
233.05885	7.2
235.11513	9.5
238.07100	1.9
243.15953	1.2
245.05939	2.1
252.14119	19.6
253.12607	3.4
268.19080	2.8
269.17471	20.4
270.15063	9.3
280.13715	2.7
282.20569	1.1
286.20245	1.8
287.05447	1.3
289.04803	1.3
291.06689	2.2
298.14774	2.2
308.09192	7.5
312.12683	2.6
326.17859	3.6
327.17184	4.9
344.18741	6.1
355.16769	4.6
362.20026	3.9
372.18341	2.0
373.17859	2.8
380.20651	3.0
399.19556	1.8
427.19070	1.6
429.20587	18.7
430.18796	2.1
447.21613	88.6
448.21783	1.3
465.22690	23.0
466.23300	1.0
501.22919	7.0
502.21854	2.0
513.22565	3.7
519.23798	15.0
558.24634	9.9
576.25903	29.8
577.25262	1.0
594.26941	100.0
595.27209	3.0
609.26801	1.5
627.27863	1.5
681.29089	1.7
738.30548	2.7
756.31970	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	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	2.5
55.02080	1.0
55.05432	10.7
55.05733	2.2
57.03354	6.0
57.03660	1.2
65.03854	0.5
67.05415	16.3
67.05816	2.1
67.77002	0.8
69.03338	2.1
69.03664	0.7
69.06977	4.1
69.95394	1.0
69.95773	1.0
71.04898	2.6
79.05396	17.6
81.03318	46.7
81.04088	1.7
81.06960	16.3
81.07476	1.4
83.04884	3.6
83.08520	14.1
83.09055	1.3
85.02818	1.5
85.06441	1.9
91.05373	12.7
93.07046	13.7
93.07574	1.1
95.04864	20.2
95.05517	1.2
95.08606	6.6
97.02792	1.7
97.06429	3.1
97.10062	14.3
99.07992	0.7
100.42896	0.6
105.07025	10.2
107.04969	12.2
107.08602	10.6
109.06525	9.6
109.10150	6.0
111.04327	1.8
111.08081	5.0
115.05408	1.1
117.07029	4.8
119.04868	0.8
119.08590	9.1
121.06517	10.4
121.10151	7.3
123.04411	1.2
123.08085	4.3
123.11607	1.1
125.05966	0.7
125.09631	13.0
129.07014	7.9
131.04805	2.2
131.08566	9.1
133.06496	3.4
133.10129	5.1
135.08051	4.3
135.11592	1.6
137.05934	0.9
137.09576	1.2
141.06934	1.5
142.07692	1.2
143.08441	2.6
145.06503	6.9
145.10147	3.6
147.04317	1.8
147.08052	5.4
147.11700	6.3
149.05869	0.7
149.09628	4.7
151.07407	0.9
151.11079	0.8
153.09117	3.4
153.12709	1.3
155.08453	1.6
157.06377	1.5
157.10127	8.0
159.07932	2.3
159.11563	2.2
161.05873	1.1
161.09482	2.1
163.11183	4.6
165.12637	2.0
166.15535	0.6
167.10608	0.9
169.10022	2.0
171.07924	2.3
171.10039	2.5
171.11566	2.4
173.09489	2.2
173.13199	0.8
175.11215	6.1
177.12619	1.9
181.10030	1.0
183.07890	1.1
183.11510	0.9
183.48567	0.6
185.09515	0.7
185.13188	1.1
187.11055	1.4
187.14642	0.8
189.09183	1.0
189.11098	5.9
189.12701	1.7
191.10773	0.9
191.14192	1.3
193.10434	0.9
193.12245	17.4
195.11583	1.5
197.13159	1.7
199.11089	1.6
201.12714	1.4
203.14182	1.0
205.10277	0.7
205.12103	2.4
211.13161	1.3
213.12631	1.2
215.14339	3.1
217.12157	1.5
219.13774	2.8
223.11115	1.3
223.13190	2.8
225.12642	1.4
227.12614	2.1
227.14488	1.1
229.15904	0.7
231.13676	1.8
233.15402	4.2
237.12642	1.7
237.14754	1.0
239.14137	0.7
241.12277	1.0
243.13782	1.2
245.15314	1.5
249.14769	1.9
255.13686	2.0
257.15237	0.8
259.13306	1.1
267.15930	37.7
269.15250	0.6
273.14786	8.0
273.17322	1.0
275.16446	1.1
283.16745	0.9
285.16797	0.7
287.16293	1.4
289.14676	0.8
291.15948	0.8
293.17511	1.7
310.13040	0.6
321.22183	0.8
339.23203	3.1
349.21655	5.1
357.24100	2.2
367.22665	14.2
385.23767	21.2
403.24887	7.2
441.26361	9.8
459.27426	99.2
460.27560	2.7
477.28500	100.0
478.28922	2.1
491.30112	13.5
501.28433	2.6
509.31290	6.6
513.28546	0.7
541.33936	1.3
567.29541	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01880	8.1
55.05270	1.0
55.05513	13.1
57.03444	8.6
57.07077	1.6
61.02923	2.7
65.03934	2.4
67.05508	62.0
67.78712	0.8
69.03425	3.4
69.07070	17.0
70.69610	2.7
71.04993	5.4
71.08636	0.9
73.02917	1.4
74.26788	0.8
79.05495	33.4
81.03424	7.6
81.07059	75.3
83.04989	10.4
83.08618	10.4
85.02905	3.7
85.06541	5.8
91.05486	46.4
93.07047	47.1
95.04977	7.8
95.08614	19.6
97.02881	1.8
97.06540	7.4
97.10168	2.8
99.04489	1.4
99.08107	1.6
103.05510	1.2
105.04517	1.3
105.07034	31.3
106.39816	0.9
106.90363	0.8
107.04952	5.4
107.07871	1.9
107.08596	33.6
109.02908	0.9
109.06518	7.1
109.10162	40.2
111.04429	1.5
111.08112	5.8
113.06012	1.5
113.12302	0.8
115.05454	0.9
117.07034	9.1
119.08610	9.8
121.06497	5.9
121.10139	9.5
123.08069	3.5
123.11694	8.7
125.09597	1.7
127.07581	3.0
129.07011	2.9
130.56656	0.9
131.08569	11.7
133.06508	2.9
133.10138	54.0
135.08090	5.1
135.11687	8.4
137.09619	1.2
143.08589	3.9
145.10095	4.3
147.08076	3.1
147.11684	3.4
149.09647	4.9
149.13274	8.3
151.11195	24.0
157.10114	1.7
159.08047	2.1
159.11723	6.1
161.09615	5.1
161.13324	1.4
163.11203	2.2
169.12282	4.3
171.11661	1.9
173.13327	1.0
175.11217	3.1
177.12759	2.2
179.10667	1.3
189.12848	0.9
191.10558	1.1
193.12392	0.8
195.12093	1.2
195.13774	6.6
213.14813	1.0
215.12827	2.6
218.77989	1.0
227.12798	1.1
227.17955	1.1
245.19014	2.9
251.12817	2.6
253.14362	100.0
254.14522	1.1
255.17528	1.8
263.20071	2.3
267.15817	1.5
269.17493	48.0
270.17651	0.8
273.18506	15.0
275.20197	1.3
291.19537	18.1
299.14920	4.9
309.20566	2.4
335.25772	5.5
347.22162	7.3
365.23245	23.8
418.69388	0.9
435.23041	0.8
447.27380	3.2
458.07370	0.8
463.27069	2.4
465.21631	1.2
465.28445	23.3
541.35297	10.0
559.36322	75.4
560.36615	2.7
577.37604	1.6
757.41284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
54.38391	1.3
55.01881	9.5
55.05518	21.7
55.48541	1.2
57.03441	10.8
57.07075	1.5
61.02915	2.0
65.03948	3.5
67.05507	80.9
69.03423	5.0
69.07068	25.0
71.03368	2.6
71.04988	6.9
79.05497	46.5
81.03432	9.5
81.04727	1.4
81.07060	92.1
83.04981	14.8
83.08621	16.0
85.02888	4.6
85.06534	6.4
86.09698	1.7
91.05483	61.0
93.07047	68.3
95.04975	13.6
95.08614	28.0
97.02881	3.7
97.06526	12.3
97.10154	3.3
99.04487	1.7
99.08099	1.7
103.05457	1.4
105.04527	1.5
105.07040	46.3
107.04925	7.0
107.08603	50.9
109.06514	9.2
109.10165	46.5
111.04457	1.8
111.08076	7.5
113.06026	1.8
117.06996	12.3
117.22079	1.3
118.15324	1.4
119.08598	15.6
121.06493	7.9
121.10124	16.9
123.08078	2.9
123.11733	9.8
125.00034	2.0
125.05987	1.6
125.09596	2.1
127.07539	3.2
128.06256	2.0
129.06972	3.5
131.08583	16.7
133.06459	4.3
133.10139	68.5
135.08072	5.3
135.11717	10.4
137.09615	2.0
139.07530	1.6
143.08566	6.0
145.10158	7.5
147.08112	2.8
147.11714	6.8
149.09648	4.9
149.13254	16.4
151.11180	31.9
157.10162	3.9
159.08073	3.3
159.11661	9.9
161.09625	9.0
163.11217	2.6
169.10074	2.2
169.12248	5.4
171.11703	3.1
173.09584	1.4
173.13232	1.9
175.11194	4.0
177.12900	2.9
179.10640	2.1
184.07355	9.5
185.13327	2.0
188.78188	1.6
195.13776	6.6
196.78043	1.5
201.12703	1.4
227.83934	1.3
227.86301	1.5
245.19069	5.4
251.12788	2.9
253.14375	100.0
255.17516	1.9
259.20398	1.9
261.21967	2.0
263.19913	2.2
267.15881	2.9
269.17487	57.8
271.15451	1.9
273.18515	24.0
275.19946	1.6
281.17609	1.6
289.21661	1.9
291.19550	31.1
299.15045	3.4
309.20523	3.0
329.21326	1.4
335.25635	5.2
347.22113	13.1
365.23254	27.2
407.43353	1.4
444.36703	1.6
447.27435	2.6
461.29099	3.7
463.26746	4.1
465.28500	44.2
496.97845	1.6
523.33740	1.7
541.35187	16.5
559.36316	96.4
560.36560	4.5
569.24463	1.7
577.37262	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01881	4.4
55.05513	16.9
57.03441	5.9
57.07071	1.5
61.02907	1.5
65.03941	1.9
67.05508	41.0
69.03431	5.7
69.07072	24.9
69.07388	0.4
69.07462	0.7
70.63660	0.5
71.04993	3.4
72.39522	0.5
73.02919	0.7
77.03961	0.4
79.05497	25.4
81.03436	4.9
81.07060	46.8
83.04983	5.6
83.08622	11.5
85.02904	1.9
85.06549	2.6
86.09712	0.9
91.03947	0.8
91.05482	21.0
93.07047	30.1
95.01300	0.5
95.04978	6.5
95.08611	13.8
97.02901	6.5
97.06528	5.7
97.10171	7.6
98.21542	1.2
99.04461	0.9
99.08072	0.7
101.76910	0.5
105.04523	0.6
105.07035	13.1
107.04967	4.5
107.08601	21.0
108.47814	0.5
109.02874	0.8
109.06491	2.8
109.10167	8.5
111.04367	0.6
111.08085	3.8
114.12807	0.5
115.03841	0.5
115.05459	0.6
117.07014	7.8
119.04958	0.9
119.08588	7.9
121.06498	2.8
121.10155	7.9
123.08075	2.9
123.11721	3.2
124.99949	0.8
125.09632	5.5
127.03918	0.7
128.06239	0.6
129.06961	2.4
131.08583	9.4
133.06485	2.0
133.10136	15.0
135.08055	3.8
135.11676	4.7
137.09616	1.8
143.08575	1.8
145.06516	1.1
145.10104	3.8
147.08052	3.6
147.11736	2.6
149.09645	2.0
149.13258	8.4
151.11179	3.9
153.09036	0.8
155.10620	0.5
157.10159	1.9
159.08099	0.7
159.11691	5.5
161.09625	2.6
161.13235	0.6
162.10323	0.5
163.11192	1.7
165.09126	1.0
167.14307	0.9
169.10159	0.7
169.12244	1.0
171.10245	0.7
171.11710	1.0
173.09511	0.5
173.13373	1.0
173.15022	0.5
175.11212	1.7
177.12775	3.0
184.07359	1.9
185.13274	0.7
189.11249	2.0
189.12772	0.8
189.44623	0.4
193.12274	0.9
195.13791	6.7
195.30783	0.5
205.12172	0.8
205.49706	0.5
211.13297	0.6
213.14880	1.0
223.13275	11.6
227.12791	3.7
227.17839	0.8
233.15536	0.6
245.19101	1.7
249.14925	1.8
250.15588	0.6
251.16432	0.6
253.14381	7.8
255.17574	0.7
267.16006	1.6
269.17480	46.6
270.17978	0.9
273.18512	11.1
275.20160	0.9
283.15445	0.6
291.19547	63.0
292.19785	1.2
309.20325	0.8
329.21512	0.7
335.25558	0.5
347.22250	3.0
365.23236	39.6
366.23584	1.2
413.21588	0.6
439.26721	1.0
461.28989	1.8
465.28525	3.3
475.30823	0.5
479.29901	2.5
541.35626	4.6
559.36316	100.0
560.36578	4.8
577.37354	0.9
703.40417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01881	4.6
55.05515	16.9
57.03448	7.9
57.07046	1.8
59.04982	0.7
61.02896	1.5
65.03912	1.6
67.05513	39.4
69.03439	6.2
69.07075	24.8
69.81869	2.1
71.04990	2.5
71.71959	0.4
73.02902	0.8
77.27993	0.5
79.05500	27.3
80.05824	0.6
81.03426	4.9
81.07065	44.8
82.07349	0.6
83.04988	4.1
83.08630	11.9
85.02882	1.9
85.06556	2.5
86.09655	0.8
91.03942	0.7
91.04919	0.5
91.05488	16.9
93.07053	34.9
95.01321	0.6
95.04980	6.5
95.08619	14.1
97.02904	6.6
97.06541	8.1
97.10177	8.8
99.08058	2.1
105.03419	0.5
105.06425	0.9
105.07043	12.5
107.04953	4.6
107.08603	21.3
108.05743	0.5
109.06507	2.7
109.10170	6.2
111.04430	0.9
111.08092	4.9
111.11710	0.5
113.09613	0.6
115.05418	1.0
115.06793	0.5
117.06267	0.5
117.07035	7.9
119.04914	1.0
119.08587	8.4
121.06528	3.3
121.10147	12.3
123.04398	0.9
123.08064	2.5
123.11694	2.2
125.09648	6.6
127.03939	0.6
127.07544	0.5
128.06215	1.0
129.07077	2.3
130.07703	0.8
131.08594	9.3
133.06496	2.1
133.10159	6.7
135.08078	3.1
135.11687	5.1
137.09596	2.1
139.11205	1.1
141.07008	0.5
143.08536	1.9
145.06508	0.8
145.10118	4.5
147.08084	4.2
147.11684	3.4
149.09604	2.0
149.13274	14.0
151.11163	1.1
157.10107	2.2
159.08029	1.1
159.11703	7.4
161.09619	1.4
161.13271	0.7
162.10431	1.1
163.11163	1.8
165.09100	1.3
165.12701	0.7
169.10121	0.9
169.12155	0.8
171.10300	0.5
171.11685	0.8
173.13260	0.7
175.11159	1.5
177.12807	3.9
184.07365	1.8
185.13327	0.7
189.11205	2.1
193.12248	1.0
195.13835	6.4
203.14249	0.5
205.12207	1.3
211.13333	0.5
213.14828	0.9
223.13315	12.5
227.12762	4.7
245.18999	1.0
249.14861	2.9
253.14336	1.4
263.20117	0.6
267.15967	1.9
269.17502	61.4
270.17743	1.0
273.18542	10.2
275.20007	1.0
283.15338	0.9
285.16843	0.6
291.19568	72.8
292.19983	1.4
309.20621	1.0
335.25797	0.6
347.22180	2.1
349.23618	0.8
365.23260	30.5
366.23785	0.7
439.26996	1.7
461.28934	2.6
479.30066	2.8
491.29349	0.6
541.35443	4.8
559.36353	100.0
560.36749	3.5
577.37646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01882	4.8
55.05269	1.4
55.05520	19.6
57.03444	11.3
57.07073	2.8
59.04993	1.0
60.08173	1.3
61.02931	5.4
65.03946	3.6
67.05513	66.3
68.99744	0.9
69.03432	3.6
69.06728	1.4
69.07078	23.0
69.82204	2.9
69.82619	1.7
71.05002	6.4
72.64249	0.7
73.02912	1.4
73.71153	0.8
77.08191	0.7
79.05502	44.4
81.03436	5.2
81.07068	59.4
83.05010	8.7
83.08624	9.0
84.95947	0.8
85.02910	7.1
85.06562	4.6
86.09710	6.8
91.03970	2.0
91.04910	1.3
91.05491	42.0
93.07055	47.9
95.04990	11.5
95.08617	35.6
95.09065	0.7
95.09246	1.4
97.02913	7.6
97.06543	8.2
97.10189	5.5
98.21490	1.7
98.86903	0.9
99.04470	2.5
99.08121	1.7
103.05487	2.0
105.04551	0.9
105.07047	32.2
107.04985	6.5
107.08605	30.6
109.02831	1.6
109.06531	5.3
109.10168	26.2
111.04453	7.2
111.08108	3.8
111.11713	0.9
113.05995	2.3
113.09690	0.9
115.05495	1.9
115.27275	0.8
117.07030	16.0
119.08596	27.9
121.06561	4.0
121.09330	1.3
121.10167	20.2
123.04419	1.2
123.08105	4.5
123.11736	4.9
125.00002	3.6
125.05956	2.1
125.09628	3.6
127.03923	1.8
128.06221	1.1
129.07030	7.7
130.07849	1.2
131.04938	1.2
131.08583	22.0
133.06497	2.3
133.10149	24.0
135.08076	4.8
135.11707	22.0
137.06018	0.9
137.09644	5.5
139.11237	2.2
141.07018	2.8
142.07794	2.0
143.08597	8.3
145.06487	3.1
145.10143	23.6
145.11293	1.1
147.08076	4.8
147.11705	11.4
149.09621	7.4
149.13249	5.0
151.11206	5.6
153.06920	1.0
153.09122	1.2
153.12779	1.7
155.08582	5.6
157.10152	7.9
159.08084	2.7
159.11710	13.7
161.09679	4.7
161.13277	5.7
163.11186	10.2
163.14844	1.9
165.09113	1.9
165.12686	1.4
169.10155	4.5
169.12260	0.9
171.08076	1.7
171.11693	8.0
173.09650	6.7
173.11719	3.4
173.13274	8.0
175.11272	4.1
175.14870	2.9
177.12724	1.8
179.10715	1.3
181.10141	1.3
181.12276	2.9
183.11731	4.6
184.07367	18.5
185.09613	1.1
185.11882	1.0
185.13164	4.4
187.11208	2.5
187.13348	0.9
187.14827	3.1
189.11221	1.1
189.12767	3.1
191.10689	6.4
193.12248	1.7
195.10147	1.2
195.11775	2.0
195.13780	1.0
197.13271	3.3
199.11214	1.0
199.14845	3.6
201.12810	1.7
203.14336	1.7
205.15884	1.0
207.13805	1.1
209.11711	13.4
209.13383	1.5
211.11227	0.9
211.13138	1.3
211.14955	2.2
213.12799	1.8
213.14647	1.0
213.16466	1.1
215.12703	1.3
221.15346	1.3
223.14935	1.0
225.12852	1.6
227.12723	5.1
227.16298	4.5
229.14320	8.7
239.17816	1.1
241.19592	1.2
243.21101	2.1
247.17091	1.2
249.14694	1.0
253.14194	3.9
255.15839	8.2
257.19052	1.6
259.20578	2.8
261.22165	4.6
267.15787	1.2
269.17429	1.0
271.15289	1.1
271.20648	1.8
273.22180	5.1
275.20020	1.5
277.21686	1.7
279.23276	2.0
283.15433	51.3
284.15790	1.1
285.16760	3.9
287.20276	1.4
289.21695	3.7
291.23257	1.3
297.22269	1.9
299.20203	2.5
299.23611	1.2
301.16418	6.3
301.21747	4.0
305.21057	1.9
313.21667	1.6
315.23172	8.8
317.21124	3.1
331.22617	1.1
333.24225	4.2
335.22125	1.4
335.25870	17.4
336.26257	1.8
345.24191	1.0
347.25867	1.5
357.24557	1.1
363.25595	1.7
371.25665	1.3
373.23633	5.5
375.25146	1.4
389.26874	4.8
391.24863	2.6
415.29996	1.5
423.32617	1.4
433.31311	7.3
435.27625	1.4
445.20667	1.7
451.32080	9.5
469.33090	10.4
487.34402	6.0
503.37857	4.2
515.37360	3.3
517.38898	1.7
525.35828	27.6
543.36884	100.0
544.37640	4.3
561.37805	40.7
562.38214	1.2
689.13635	1.1
705.42047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01871	7.2
55.05267	2.3
55.05512	22.6
57.03185	1.8
57.03444	17.9
57.07056	1.9
59.05008	1.8
59.20687	1.1
61.02932	5.9
65.03941	4.5
67.05508	78.1
69.03421	3.9
69.07072	22.7
70.03969	2.8
70.04359	2.2
71.01341	3.5
71.04983	5.9
71.08623	1.2
73.02901	2.1
75.97925	1.1
79.05496	58.5
81.03423	19.3
81.07060	74.9
83.01344	1.8
83.04988	18.0
83.08620	13.0
85.02899	10.5
85.06538	4.3
86.09678	2.8
91.03956	2.3
91.05483	40.2
93.07049	74.1
95.04982	12.1
95.08610	49.4
97.02899	13.1
97.06536	10.3
97.10188	7.4
97.67779	1.3
99.04453	2.6
105.04540	1.9
105.07031	31.0
107.04962	14.5
107.08604	39.3
109.02922	1.5
109.06533	7.5
109.09476	2.2
109.10169	27.2
111.04447	12.3
111.08073	4.8
113.06005	2.3
117.07024	18.1
119.08588	26.3
121.06516	6.3
121.10148	28.2
122.82228	1.1
123.04455	1.4
123.08066	5.7
123.11725	7.1
124.99972	2.0
125.05995	2.2
125.09620	5.6
129.07024	6.8
131.08563	22.0
133.06454	2.0
133.10130	19.8
135.08057	5.3
135.10701	1.8
135.11702	30.2
137.09610	5.1
137.13235	1.6
139.07542	1.6
139.11179	2.5
141.06970	1.2
143.08542	7.3
145.06448	1.6
145.10135	30.7
147.08049	4.1
147.11702	10.2
149.09625	4.0
149.13255	8.7
151.11179	3.4
153.12741	13.6
155.08543	5.6
157.10130	4.6
159.07909	1.2
159.11732	9.7
161.09639	3.3
161.13301	6.3
163.11205	31.4
163.14845	2.9
164.21594	1.1
165.12743	1.8
167.08424	1.2
169.10110	2.9
171.07947	1.3
171.11691	4.0
173.09654	7.4
173.11876	2.2
173.13248	6.5
175.11160	2.0
175.14818	2.3
177.16359	1.5
179.10555	1.5
181.12225	11.7
181.86603	1.2
184.07364	12.3
185.13246	3.7
187.11215	1.5
187.14836	3.5
189.11201	2.8
189.12833	1.9
191.10677	12.7
197.13298	3.5
199.13266	1.8
199.14879	2.1
209.11728	29.4
211.13235	1.4
227.12811	15.7
227.16277	2.3
229.14339	4.2
243.21039	3.8
255.15913	2.5
259.20599	2.4
261.22192	16.3
265.14340	3.7
267.15854	1.4
271.15302	1.6
273.22180	2.6
283.15414	43.1
285.16846	1.8
289.21625	2.6
299.20151	1.7
299.23691	3.4
301.16479	66.0
315.23218	3.6
317.21243	1.6
317.24774	2.7
333.24268	2.0
335.25821	82.1
336.26160	2.3
337.26419	1.6
363.25153	1.1
373.23712	2.2
374.47012	1.3
423.32529	2.7
433.31097	5.0
451.32150	9.6
461.29474	1.7
463.31201	1.4
469.33109	8.0
487.33963	3.8
515.37292	2.4
525.28589	1.7
525.35748	17.6
543.36835	100.0
544.37012	4.8
561.37872	68.6
562.38422	2.2
579.38934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01872	8.0
55.05270	1.5
55.05516	20.8
55.05783	1.1
57.03439	13.2
57.07078	2.4
59.05022	1.1
59.89233	0.8
61.02922	3.2
61.61002	0.8
62.83179	0.7
65.03938	2.1
67.05508	62.4
69.03426	2.7
69.06734	1.4
69.07073	19.0
71.01347	2.2
71.04994	4.4
71.08642	1.1
71.17324	2.1
73.06593	0.9
79.05496	51.0
81.02990	1.3
81.03423	16.8
81.07060	60.8
83.01331	2.5
83.04986	14.2
83.08617	9.3
85.02914	9.5
85.06516	2.0
91.03963	1.2
91.05483	28.8
93.07048	61.8
95.04976	9.9
95.08610	45.5
97.02894	9.9
97.06538	9.7
97.10172	5.4
99.04465	2.0
99.08092	1.3
105.07035	20.5
107.04961	13.0
107.07872	1.6
107.08602	33.1
109.02934	0.9
109.06535	4.5
109.09460	1.6
109.10162	21.3
111.04452	10.6
111.08092	5.1
111.11739	3.3
113.06010	1.2
117.07021	12.7
119.08582	19.7
121.06547	4.8
121.10151	40.1
121.11032	1.9
123.04446	1.0
123.08073	5.8
123.11707	4.1
125.05997	2.3
125.09644	2.5
129.06973	4.0
130.07730	1.2
130.69809	0.8
131.08577	15.5
133.10133	11.4
135.04443	0.8
135.08069	2.7
135.11702	28.1
137.09615	4.5
137.13304	1.4
139.07542	1.4
139.11166	6.4
143.08551	3.1
145.06541	2.0
145.10132	24.3
146.04222	1.0
147.08057	3.9
147.11722	6.2
149.09631	2.8
149.13283	5.7
153.12750	13.3
155.08548	3.6
157.10077	1.7
159.11743	5.3
161.09673	1.7
161.13239	3.9
163.11197	34.3
163.12552	2.0
163.14803	1.9
167.10698	2.1
171.11649	1.3
173.09634	6.4
173.13281	4.5
174.91832	0.9
175.14886	1.2
181.12244	10.5
183.11819	0.8
185.11761	1.4
187.14783	2.0
191.10690	9.7
199.14888	1.1
209.11722	21.7
210.65439	0.8
227.12793	17.9
243.21089	4.3
245.13889	10.0
259.20490	2.1
261.22186	13.9
265.14352	3.9
267.15930	1.6
267.53052	0.9
281.13751	1.3
283.15396	26.0
299.23703	1.7
301.16470	74.9
302.16757	1.8
317.24750	3.6
333.24393	1.5
335.25806	100.0
336.26178	4.0
403.78235	0.9
433.30981	2.0
451.32315	3.9
469.32990	3.9
487.34286	1.2
495.97885	1.1
505.11865	0.9
525.35754	8.2
530.28809	0.9
543.36841	44.7
544.36896	1.9
561.37878	90.4
562.38104	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	758.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79066	0.7
53.00300	0.8
53.03942	4.4
53.53412	0.8
55.01861	3.8
55.05267	1.4
55.05517	17.1
57.03444	10.1
57.07069	2.4
57.24945	0.8
61.02938	4.6
65.03937	3.4
67.05512	71.7
69.03424	3.2
69.07077	21.7
69.52957	0.9
69.75890	4.8
71.05007	4.1
73.02906	1.7
79.05502	44.1
81.03409	4.7
81.07066	51.8
82.07410	1.0
83.04987	10.0
83.08630	11.7
85.02898	4.9
85.06531	3.4
86.09715	2.6
91.03943	2.1
91.04911	1.1
91.05489	40.0
93.07053	50.9
95.04986	11.1
95.08618	33.6
97.02895	8.1
97.06532	8.2
97.10168	4.1
98.20830	1.2
99.04456	2.3
99.08116	1.6
103.05469	1.1
105.03431	0.9
105.04540	1.9
105.07041	28.4
107.04284	1.1
107.04963	7.2
107.08604	28.6
109.02876	0.8
109.06522	5.1
109.10177	24.8
111.04452	7.0
111.08096	4.0
113.06006	2.6
113.09641	2.1
115.05465	1.5
117.07015	13.6
119.08595	25.9
121.06487	4.5
121.09326	1.5
121.10152	21.5
123.08070	4.5
123.11716	6.8
124.99934	1.4
125.06001	2.2
125.09653	2.9
127.03911	1.3
128.06233	2.7
129.07027	9.0
130.07797	1.9
131.08586	22.8
133.06476	3.0
133.09128	1.2
133.10139	25.2
135.08096	6.0
135.10692	1.5
135.11702	16.6
137.09627	3.7
139.11238	1.9
141.06967	2.5
142.07762	1.6
143.08563	7.3
145.06500	3.4
145.10144	22.9
147.08073	5.2
147.11697	10.7
149.09636	7.0
149.13269	4.5
151.11182	6.4
153.12759	1.5
155.08574	5.3
156.52580	0.9
157.10150	6.8
159.08054	2.5
159.11694	11.0
161.09679	4.8
161.13255	3.0
163.11214	11.1
163.14848	1.3
165.12772	1.5
169.10184	5.0
171.08040	2.0
171.10359	1.4
171.11656	6.2
173.09660	5.9
173.11882	1.6
173.13245	6.6
175.11197	3.4
175.14838	2.0
177.12755	2.0
181.10126	2.7
181.12254	3.7
183.11702	4.1
184.07404	9.2
185.09613	1.8
185.13271	5.1
187.11185	2.3
187.14841	2.6
189.12749	1.8
191.10686	5.3
193.12100	1.0
193.15874	1.0
195.10164	1.0
195.11723	2.0
197.13243	2.2
199.14854	2.4
201.12804	1.5
203.14392	1.6
207.11765	1.1
209.11722	12.8
209.13443	1.5
223.14912	1.0
227.12825	4.4
227.16354	5.4
229.14334	5.7
235.16917	1.1
241.19424	1.4
243.21118	1.5
245.19006	1.1
253.14365	2.4
253.19316	0.9
255.15952	5.9
256.35828	0.9
257.18988	1.0
259.20575	3.6
261.22171	5.5
267.15991	1.6
271.15356	1.7
271.20554	2.9
273.22189	4.9
279.23331	1.2
283.15424	43.4
283.20508	1.7
285.17029	3.5
289.21625	3.0
297.22299	2.0
299.20374	1.9
299.23657	1.6
301.16489	5.5
301.21613	1.8
311.97055	0.9
313.21661	1.7
315.23187	8.5
317.21179	2.9
317.24750	1.8
327.23209	2.1
329.24747	0.9
333.24408	3.2
335.22137	1.0
335.25882	18.5
345.24258	1.3
353.25131	1.0
357.24210	1.8
363.25436	1.8
369.24243	1.1
371.25836	1.6
373.23776	3.9
389.26849	3.0
391.24817	2.3
402.96030	0.9
405.31216	1.0
415.29800	1.4
433.31128	6.1
435.27237	1.5
451.32074	9.6
469.33215	10.1
487.34247	6.3
503.37476	1.1
507.34415	1.3
515.37122	3.4
525.35840	26.7
543.36877	100.0
544.36914	3.2
561.37885	38.2
562.38318	1.9
705.42065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01880	6.7
55.05268	1.6
55.05511	21.0
57.03443	12.9
57.07079	1.4
60.08143	1.0
61.02906	4.1
65.03950	1.8
66.04742	1.1
67.05508	72.5
69.03412	4.7
69.07073	32.9
70.77496	2.5
71.04989	7.0
71.08651	1.0
73.02897	1.1
79.05499	49.4
81.03416	9.8
81.07060	95.6
83.04985	11.5
83.08621	18.7
85.02928	5.3
85.06553	5.4
86.09703	2.7
90.53945	1.0
91.03979	1.1
91.05484	38.6
93.07048	73.0
95.04984	9.7
95.08607	35.8
97.02875	4.1
97.06535	18.8
97.10156	6.1
99.04436	2.5
99.08078	4.1
105.04513	1.4
105.07036	26.8
107.04950	7.0
107.08599	43.9
109.02905	1.4
109.06525	5.6
109.10168	12.5
111.08099	9.5
113.09681	2.5
115.05415	1.8
117.07012	13.4
119.08580	18.1
119.89566	1.2
121.06521	5.4
121.10152	21.0
123.08058	3.2
123.11699	6.2
125.09624	5.3
127.03945	2.0
129.06990	4.1
131.08582	19.4
133.10147	24.7
135.08031	4.5
135.11697	16.8
137.09634	2.7
139.11143	1.8
141.06967	1.3
143.08565	3.2
145.04826	1.6
145.06523	1.2
145.10147	7.5
147.08005	1.6
147.11679	7.8
149.09636	9.9
149.13268	24.9
149.90201	1.0
151.11128	3.0
155.08530	1.7
157.10126	3.1
159.11696	16.6
161.13179	3.1
163.11136	5.1
165.12778	1.7
169.10056	1.4
171.11710	1.2
173.04445	1.4
173.09711	1.4
173.13297	3.3
177.12769	6.1
179.14305	2.3
183.11720	1.2
184.07329	5.1
185.13261	1.5
189.11223	1.9
195.13802	16.4
197.13297	2.1
199.14822	1.2
208.13326	1.5
213.14815	2.3
227.12694	10.2
229.19531	1.5
239.17981	1.9
247.20491	2.6
251.16339	2.7
253.14392	5.3
253.17752	1.2
255.15939	4.7
257.18991	6.2
267.15903	2.5
269.17490	79.7
275.20032	22.2
293.20969	1.6
331.22784	1.9
335.25250	1.5
339.18176	1.4
345.15469	1.2
349.23761	21.1
365.23288	2.4
367.24734	3.5
423.27484	2.1
439.27182	2.3
445.29642	1.5
447.30997	2.7
449.29126	23.1
463.30554	100.0
464.30820	2.4
503.33658	2.7
515.37067	1.8
525.36133	1.6
543.36823	40.7
561.38000	14.1
578.40186	2.0
596.41595	1.9
607.34717	2.5
758.47083	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.07483	1.0
55.01879	7.7
55.05265	1.6
55.05514	21.9
55.16158	1.2
57.03444	13.0
57.07066	3.2
61.02919	3.2
65.03928	3.6
67.05509	74.9
67.08250	0.9
68.05843	1.0
68.38977	0.9
69.03431	6.0
69.07073	31.6
69.25205	9.1
71.01350	0.9
71.04981	7.7
71.08625	1.0
72.04514	2.2
73.02904	1.3
79.05497	55.2
81.03427	10.7
81.07061	100.0
83.04981	12.8
83.08620	20.7
84.04491	1.4
85.02906	5.4
85.06544	7.3
88.16720	0.9
89.51446	1.0
89.85287	0.9
91.03948	1.5
91.05485	45.5
93.07046	71.3
95.01340	1.3
95.04966	9.8
95.08614	37.8
97.02906	4.9
97.06532	21.3
97.10181	8.0
99.04461	2.4
99.08095	4.2
102.16614	1.1
103.05464	1.2
105.04488	1.7
105.07037	29.0
107.04962	6.9
107.08601	45.1
108.08876	1.2
109.02890	1.5
109.06544	6.9
109.10165	11.5
111.08096	8.0
113.05980	1.6
113.09657	1.2
116.06243	1.1
117.07021	16.9
119.08583	20.3
121.06513	3.8
121.10153	22.2
123.08058	3.3
123.11704	4.2
125.09643	7.0
127.03938	2.9
129.06984	5.2
131.08574	19.3
132.08054	1.3
133.06543	1.1
133.10132	23.4
135.08134	4.9
135.11688	16.9
137.09598	1.2
141.06984	1.4
143.08553	3.5
145.10136	13.4
147.07983	1.1
147.11690	12.7
149.09637	10.7
149.13280	28.6
151.11168	2.6
155.08589	2.1
157.10155	4.5
159.11700	23.8
161.09653	1.2
161.13235	2.6
163.11211	7.4
165.12805	1.1
169.10141	2.2
171.11708	3.9
173.04559	2.2
173.09618	1.0
173.13261	5.4
175.11192	1.7
177.12770	9.0
179.14400	2.6
183.11714	1.9
184.07457	1.7
185.13440	1.7
187.11212	0.9
189.11185	2.8
193.12250	2.6
195.13835	13.2
196.14119	1.0
199.14890	1.1
205.12653	1.0
208.13312	1.4
211.13295	2.3
213.14787	2.1
227.12802	15.8
229.19528	1.5
235.17084	1.0
236.65907	1.1
239.17911	3.0
241.19542	1.9
247.20566	1.8
251.16327	1.3
253.18024	1.2
255.15993	2.9
257.19028	10.0
259.20670	2.2
262.18015	4.2
267.15921	2.1
269.17484	83.6
270.17618	1.3
275.17310	1.9
275.20093	31.4
285.16962	2.4
287.18420	1.8
291.19510	2.3
293.21082	2.2
293.30338	1.3
321.23969	1.0
323.08020	1.0
331.22955	1.7
333.24326	2.4
335.25586	1.1
349.23761	27.7
349.28122	1.5
365.23169	2.8
367.24789	3.3
377.19562	1.4
423.27338	2.7
439.26877	4.9
445.29605	2.4
447.31100	1.9
449.29001	22.7
463.30576	77.2
464.30838	3.3
469.32901	1.3
476.25424	1.1
503.33679	2.7
517.35736	5.0
525.35590	2.8
543.36816	59.4
544.37085	2.8
561.37994	14.7
578.40607	3.0
583.30756	1.7
596.41565	3.9
607.34235	3.3
705.41846	1.5
758.48029	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	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
53.58480	0.5
55.01882	0.6
55.05514	17.5
57.03437	6.5
57.04481	0.5
57.07078	2.2
59.05005	1.2
61.02927	3.0
65.03954	1.9
67.05508	65.5
69.03433	1.4
69.06727	0.9
69.07074	13.0
71.04997	24.7
71.08622	0.6
73.02910	1.3
73.06530	0.5
73.67175	0.5
76.26510	0.6
77.03930	0.9
79.05497	38.1
81.03413	1.1
81.07059	100.0
82.07421	0.9
83.04994	4.4
83.08617	8.6
85.02889	2.8
85.06548	7.4
87.04462	0.5
91.03967	1.1
91.04904	1.0
91.05483	29.2
93.07047	42.1
95.04963	2.9
95.08611	28.3
95.57813	0.5
97.02903	1.7
97.06541	4.0
97.10168	3.5
98.21674	0.7
99.08094	0.9
105.04532	1.9
105.07037	17.3
107.08596	23.0
109.06544	2.1
109.10162	13.8
111.08108	1.9
115.05511	0.6
117.07053	4.3
119.08588	9.9
119.09373	0.9
121.10146	19.3
123.08071	1.0
123.11712	14.6
125.09608	0.9
129.06979	0.7
130.53235	0.6
130.54753	0.6
131.08574	9.7
131.09526	0.7
133.10135	20.0
135.08011	0.7
135.11691	9.1
137.09692	0.8
139.11189	0.7
143.08560	0.7
145.10115	5.1
147.11667	4.9
149.09673	0.8
149.13280	7.1
151.11180	6.7
153.12666	0.7
157.10179	0.6
159.11679	7.6
160.81972	0.7
161.13264	3.2
163.14870	1.2
165.12729	0.8
169.12292	1.8
171.11717	1.0
173.13310	2.5
175.14807	1.4
177.12781	2.2
183.13788	3.0
185.13248	0.9
187.13348	3.4
187.14845	1.2
195.13908	1.5
201.14882	1.8
227.16371	3.0
243.15793	0.7
257.17569	3.0
259.20648	0.9
260.31134	0.6
261.22198	2.0
269.17480	6.0
283.19019	0.8
291.20187	0.6
301.20093	24.1
302.20441	0.9
317.24774	1.0
335.25803	26.9
336.26135	0.9
348.69751	0.6
393.31448	1.1
411.32776	1.4
429.34286	0.7
437.34171	1.9
485.36295	4.9
503.37332	94.9
504.37817	5.5
511.37943	1.4
517.38885	3.2
529.38885	19.3
530.39789	0.8
543.41113	0.6
561.41516	98.4
562.41638	5.7
770.25592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
58.06614	0.4
60.08164	5.9
60.44065	0.2
67.05499	0.7
70.10242	0.4
70.10634	0.4
71.07378	2.8
72.08144	0.4
74.09727	1.6
74.67466	0.2
77.83632	0.2
78.01383	0.2
81.07044	0.5
86.09706	29.7
87.10072	0.3
93.07043	0.3
95.08606	0.4
98.20751	0.3
98.94492	0.2
98.98457	3.0
100.11989	0.2
104.10745	2.0
109.10176	0.2
125.00006	20.6
166.02686	0.3
184.07343	100.0
185.07657	0.7
299.06180	0.4
308.29556	0.4
758.56915	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.01873	3.0
55.05516	19.2
57.03445	18.5
57.07065	2.3
57.94006	1.1
60.08168	2.1
61.19579	1.0
65.03937	3.3
65.82929	1.1
67.05509	61.4
69.03421	3.1
69.07072	17.3
69.22919	2.3
69.23309	9.5
71.01331	1.3
71.04996	3.4
73.02909	1.3
79.05497	45.7
81.03422	88.6
81.07061	64.1
82.07375	1.3
83.04988	6.0
83.08625	25.6
85.02902	2.0
85.06554	2.1
86.09702	5.6
91.04910	1.3
91.05489	33.9
93.07047	52.9
95.04967	28.8
95.08610	46.4
97.02895	4.8
97.06548	5.5
97.10173	6.9
99.08107	1.3
103.05453	1.1
105.04464	1.8
105.07040	29.5
107.04965	7.5
107.08596	27.6
109.06520	4.5
109.10164	21.7
111.04422	1.9
111.08083	7.4
113.13766	1.0
115.05449	1.8
117.07030	8.4
119.08590	22.9
121.06515	3.6
121.10159	25.2
123.04430	1.4
123.08069	2.4
123.11710	6.6
125.00025	4.1
125.09642	3.3
129.07022	10.7
131.08560	22.2
133.06493	3.5
133.10136	16.3
135.08051	2.4
135.11705	16.0
137.09625	2.3
137.13246	2.9
138.39246	1.0
138.41260	1.0
139.11172	1.9
142.07808	2.2
143.08543	3.5
145.10152	11.4
147.08040	4.2
147.11705	15.2
149.09608	5.6
149.13240	9.4
151.11131	1.1
157.10136	13.0
159.11687	7.1
161.13263	4.9
163.11226	2.9
163.14882	4.9
163.16138	0.9
165.12761	3.5
169.10283	1.2
171.10291	1.1
171.11687	2.9
173.13248	7.8
173.99446	1.1
175.11165	11.5
175.14818	3.6
177.12808	1.5
183.11653	1.7
184.07350	26.6
185.13222	1.9
187.14842	3.2
189.11217	3.6
189.12741	1.4
189.16371	1.8
191.10612	1.2
193.12267	21.1
197.13347	1.8
199.14772	1.4
201.16446	1.6
205.15942	1.1
207.13893	1.0
211.13275	2.8
227.12831	8.2
235.13223	2.2
243.21053	5.6
249.14856	2.4
259.13190	1.4
261.22159	21.4
267.15927	100.0
268.16440	1.4
285.22122	1.2
289.21664	1.4
299.23917	1.6
301.25232	7.3
309.16995	3.3
317.24734	3.6
333.24445	1.1
335.25815	85.0
336.26260	3.1
357.28088	1.2
421.25635	1.2
435.27200	2.9
435.32660	5.2
453.33777	9.3
471.35049	5.1
475.30618	1.4
501.36374	1.7
509.36450	3.5
527.37372	69.3
528.37567	2.4
545.38422	60.4
546.38745	2.5
563.39392	5.4
569.38342	5.3
653.39471	1.3
710.43616	1.8
760.44135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.4
55.01870	4.5
55.05512	50.9
57.03439	18.4
57.07072	1.9
57.90729	1.4
59.05011	2.4
61.02916	4.7
63.16819	1.5
65.03931	4.8
67.05507	100.0
69.03452	8.3
69.07077	22.7
71.04530	1.2
71.04986	7.5
71.53074	2.7
72.42074	1.7
73.02927	2.0
79.05019	1.8
79.05498	59.8
81.03418	11.3
81.07059	82.8
83.05008	8.8
83.05445	2.0
83.08623	21.4
85.02894	5.1
85.06551	5.3
86.09678	3.3
87.04475	3.5
91.03960	2.2
91.05481	32.9
92.05830	1.6
93.07047	57.2
95.04984	7.5
95.08607	50.2
97.02878	2.4
97.06516	4.8
97.10167	24.2
99.08105	1.6
105.04538	1.8
105.07030	19.7
107.04977	2.8
107.08594	36.0
109.06511	5.8
109.10163	47.7
110.10498	1.7
111.08107	5.0
117.07018	8.7
119.08582	19.9
121.10146	18.9
123.08138	2.2
123.11691	6.1
123.52737	1.7
125.09639	18.9
129.07002	4.1
131.08569	16.5
133.06387	1.6
133.10136	13.3
135.11674	12.3
137.09645	2.5
137.13264	1.7
143.08553	2.0
143.10680	3.6
145.10126	9.4
147.11676	14.3
149.09668	3.1
149.13261	8.9
151.11131	1.8
155.10762	3.9
157.10127	4.2
159.11687	5.7
161.13258	5.6
163.11246	1.7
163.14816	3.0
165.12755	3.5
171.11871	1.5
173.11752	10.3
173.13301	5.6
175.11157	2.3
175.14815	1.6
177.12822	2.6
177.16316	2.2
184.07384	8.6
185.13315	1.9
187.14862	2.5
193.12236	6.5
199.13287	14.3
211.13318	10.0
217.14323	6.4
227.12825	3.9
229.14355	52.5
243.21158	4.4
261.22162	16.7
267.15915	3.3
269.17435	5.8
285.16986	19.9
296.31448	1.7
307.46094	1.7
317.24698	3.1
329.24820	1.5
333.24124	1.8
335.25809	89.1
336.26273	2.7
337.27414	4.0
360.31613	1.7
452.70740	1.8
471.34509	2.4
477.35773	31.6
489.35742	23.1
505.37759	3.0
527.37030	1.8
545.38391	17.3
563.39404	7.9
571.47198	13.6
761.39063	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	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
55.01870	6.1
55.05268	3.5
55.05515	45.6
57.03448	17.5
57.07060	3.6
61.02919	7.5
65.03931	4.8
65.32570	2.9
67.05508	100.0
69.03429	3.5
69.07070	26.3
71.05000	5.0
71.08630	2.5
79.05495	48.3
81.03409	15.4
81.07060	78.6
83.04974	6.3
83.08620	20.9
85.02914	7.2
85.06548	3.8
86.09708	6.1
87.04466	3.3
87.34354	2.2
91.03960	3.8
91.05482	36.0
93.07047	51.2
95.04987	11.2
95.08063	3.6
95.08617	48.0
96.08920	2.2
97.02890	5.4
97.06532	6.3
97.10165	21.8
99.08063	2.4
105.07037	23.6
106.81528	1.9
107.04969	3.5
107.08600	30.9
109.06474	3.0
109.10162	40.1
111.08057	5.1
117.07024	9.0
119.08591	19.6
121.10133	24.8
123.08115	3.7
123.11701	6.5
125.09637	15.9
129.07027	4.5
131.08582	15.3
133.10139	14.1
135.11696	21.1
143.10710	2.2
145.10147	8.3
147.11719	11.4
149.13254	5.9
153.12769	2.1
155.10735	3.9
157.10130	3.4
159.11674	10.3
161.13245	7.0
163.14749	2.6
165.12709	3.1
173.11734	11.4
173.13257	6.6
175.11295	3.4
175.14833	2.6
184.07347	8.8
187.14841	3.2
193.12250	5.7
199.13304	12.7
211.13200	10.2
217.14333	7.6
227.12883	2.7
229.14352	47.5
243.21094	7.4
261.22147	16.2
267.15973	3.6
269.17554	3.9
271.92758	2.3
285.16962	18.8
301.16455	4.7
317.24680	2.4
335.25815	92.4
336.26047	5.2
337.27271	7.8
351.25446	2.6
360.11462	2.3
477.35880	30.9
489.35913	27.6
527.37329	5.2
529.39221	3.2
545.38519	22.8
563.39514	9.1
571.47174	12.5
760.45605	3.6
761.38031	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	760.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01857	1.5
55.05516	17.1
57.03431	5.5
57.07064	6.3
65.03938	3.0
66.50980	1.7
67.05508	72.9
69.07069	22.8
71.05000	19.4
71.08631	1.7
71.53083	1.8
71.53474	1.7
79.05497	21.7
81.07059	100.0
83.04982	3.1
83.08618	13.3
85.06538	6.6
86.09689	3.3
88.07253	1.5
89.06039	2.7
91.05482	20.6
93.07052	21.6
95.08608	31.6
97.06512	2.9
97.10201	7.8
105.07034	13.0
107.08607	13.4
109.06442	1.4
109.10164	17.2
111.08110	1.6
117.07001	3.2
119.08558	5.5
121.10158	10.0
123.11700	17.7
131.08566	3.6
133.10115	20.5
135.11688	6.5
137.13232	2.2
147.11635	2.8
149.13263	5.3
151.11188	8.1
159.11720	2.5
161.13219	3.7
163.14790	2.3
165.65216	1.4
169.12283	2.0
175.14821	2.1
177.12769	2.1
184.07358	10.3
187.13275	3.1
214.35518	1.5
245.22624	1.8
263.23856	2.8
269.17422	6.2
301.19998	13.0
337.27356	22.5
465.60440	1.6
505.38907	76.2
519.40283	3.3
531.40424	10.2
536.74567	1.7
553.04346	1.9
563.43060	84.2
564.43604	3.1
571.47327	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01885	0.4
55.05514	0.8
57.03437	1.8
59.05000	1.4
61.02932	3.1
66.92577	0.3
67.05502	2.7
69.03435	2.8
69.07059	0.9
69.31989	2.7
71.01363	0.7
71.04997	1.9
73.02919	2.6
76.41148	0.4
79.05488	3.5
81.03419	5.7
81.07056	3.5
83.04973	0.8
83.08627	1.8
85.02911	4.5
85.06540	0.8
87.04480	0.7
91.03973	2.4
91.05481	3.8
93.07058	3.1
95.04987	1.5
95.08637	1.3
97.02879	3.5
97.06504	0.6
98.20628	0.4
99.04491	0.7
101.02399	1.5
101.06083	0.4
103.03918	0.5
105.07021	2.7
107.04974	0.7
107.08624	1.9
109.02884	0.9
109.10136	0.6
111.04449	0.4
111.08115	1.2
119.04977	0.5
119.08606	1.7
121.06584	0.4
121.10157	2.2
123.08115	0.5
127.03912	1.5
129.07025	1.1
131.08577	2.3
133.10158	2.0
141.55786	0.4
142.07784	0.6
145.10167	0.6
147.11702	2.5
149.09671	3.0
157.10152	1.8
165.12828	0.7
175.11243	1.3
193.12267	2.9
197.15349	0.6
199.33162	0.4
203.05270	0.7
211.13377	0.9
225.14938	1.4
233.11433	0.5
243.08452	2.6
248.04210	0.3
267.16064	1.5
283.15192	6.0
299.18604	0.5
309.07620	0.4
339.17831	2.4
469.20596	1.0
501.23074	32.7
502.23618	0.9
599.34131	0.7
761.39307	100.0
762.39563	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	761.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01874	0.7
55.05521	2.0
57.03436	1.8
61.02929	4.0
65.03934	0.7
67.05512	5.9
68.05841	0.4
69.03434	3.1
69.07073	2.8
71.05003	1.1
71.53249	0.6
73.02926	2.5
79.05499	4.3
81.03426	2.2
81.07069	7.0
83.04984	1.0
83.08627	1.7
85.02922	3.6
86.09705	0.5
91.03962	2.5
91.05482	3.6
93.07055	5.6
95.04974	0.9
95.08618	2.7
97.02917	3.8
97.06612	0.6
97.10182	1.2
99.04474	0.8
101.02411	2.0
105.07046	2.3
107.04966	1.0
107.08611	3.2
109.02863	0.6
109.10196	1.5
111.08083	0.5
117.07039	1.0
117.21281	0.4
119.08631	1.4
121.10194	1.6
123.08102	0.5
123.11749	0.4
125.00031	0.4
125.09673	0.8
127.03967	1.1
129.06967	0.4
131.08607	0.9
133.10143	2.9
135.11729	1.0
136.26065	0.4
143.08569	0.5
145.10167	0.5
146.80920	0.3
149.09691	0.6
149.13298	1.7
151.11208	0.6
157.10135	0.5
159.11736	1.2
169.67737	0.5
184.07304	2.0
185.04315	0.7
191.50005	0.4
195.13808	0.9
203.05490	0.5
223.13414	0.7
235.13156	1.1
243.08440	3.1
269.17496	0.6
291.19675	1.2
331.18735	1.8
335.25790	0.6
373.11069	0.4
387.21765	0.5
453.21036	9.8
549.26721	4.8
572.47705	0.5
691.34064	0.5
761.40826	100.0
762.40924	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01875	0.6
55.05515	2.5
57.03447	1.8
57.07083	0.6
60.08165	1.3
61.02929	3.7
62.10695	0.4
65.03940	0.6
66.64938	0.4
67.05510	6.2
68.05817	0.4
68.66966	0.3
69.03432	3.2
69.07078	3.5
71.01347	0.4
71.05003	0.7
71.07381	0.6
71.08628	0.4
73.02912	3.1
77.33231	0.3
78.63307	0.3
79.05502	4.0
80.05799	0.4
81.03426	2.2
81.07060	7.9
83.04984	1.1
83.08629	1.6
85.02901	3.5
85.06555	0.4
86.09708	6.1
87.04494	0.6
87.10074	0.6
91.03956	1.8
91.05482	2.6
93.07053	4.7
94.07372	0.4
95.04993	0.9
95.08607	2.6
95.59432	0.3
97.02896	3.5
97.06563	0.9
97.10197	1.6
98.20778	0.7
98.98471	0.7
99.04464	0.8
99.08115	0.5
101.02401	1.5
103.05397	0.3
103.24947	0.4
104.10766	0.7
105.07055	1.0
107.04935	0.4
107.08615	2.4
109.02899	1.2
109.10173	1.3
111.08086	0.5
117.07059	1.2
119.08620	0.9
121.10144	1.9
123.08128	0.4
125.00014	3.3
125.09635	0.7
127.03938	1.5
131.08589	1.1
133.10182	1.4
135.11740	1.1
139.56093	0.3
145.10159	0.4
149.13217	2.4
159.11769	1.1
177.12717	0.5
184.07359	19.8
185.04285	0.7
185.07722	2.4
195.13728	0.5
223.13351	0.8
229.02812	0.5
235.13025	0.4
243.08412	2.7
269.17542	0.8
291.15851	0.4
291.19702	1.0
331.18921	1.4
453.20963	10.1
463.30331	0.4
466.32663	0.5
474.72943	0.4
546.38885	0.5
549.26825	4.1
761.40765	100.0
762.41211	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	762.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01853	1.7
55.05507	2.9
57.03426	1.1
58.99580	1.3
61.02928	0.8
67.05505	8.4
69.03428	2.1
69.07069	3.4
70.46371	1.7
71.04978	0.9
74.00651	1.7
76.02219	2.5
76.04031	0.6
79.05151	0.5
79.05506	5.3
80.05009	1.5
81.03415	2.1
81.07056	18.3
82.06567	0.6
83.04989	1.4
83.06078	1.5
83.08611	2.5
84.04508	4.6
85.02905	4.2
86.00652	0.9
86.06097	0.7
91.05489	6.3
93.07043	7.2
94.06583	0.8
94.09030	0.5
95.04961	2.3
95.08051	1.0
95.08607	9.6
97.01125	1.3
97.02892	2.1
97.06522	1.0
99.01418	2.7
99.02683	0.7
99.04475	0.6
100.02198	5.5
102.31659	0.6
105.07026	4.9
106.06564	0.5
107.04951	1.7
107.06075	0.7
107.08594	5.6
108.08078	0.8
109.02844	0.8
109.06509	3.6
109.10161	3.9
111.08078	0.9
112.02193	5.9
113.02957	0.6
113.04207	0.5
114.03770	6.1
116.01688	1.9
117.07019	2.3
119.08582	4.3
120.08120	0.6
121.06546	0.8
121.10159	2.7
123.05617	0.5
123.11696	1.6
125.04230	1.2
125.09650	0.7
126.03747	1.6
127.03931	1.3
129.06544	1.0
130.04982	1.7
131.08598	4.1
133.10117	3.3
134.09663	0.6
135.08080	1.4
135.11650	1.2
136.03926	0.6
137.04207	0.9
137.09656	0.7
138.03737	1.7
139.05807	1.2
140.05290	5.5
142.03264	0.9
143.08537	1.0
145.06117	0.8
145.10159	2.6
147.04468	0.7
147.11673	3.1
149.09587	1.4
149.13261	1.8
151.05771	0.6
151.11142	0.6
152.05267	1.4
154.06837	1.7
157.10126	0.8
159.11708	1.3
162.02243	1.7
163.11162	1.6
164.89053	0.5
166.06905	1.4
168.08437	15.5
171.11768	0.6
173.13281	2.3
175.11285	0.6
176.56340	0.5
179.04912	0.5
181.06085	0.8
185.03838	2.2
185.07077	0.7
187.05264	0.6
191.14374	0.8
193.06218	0.7
193.12375	0.6
197.04504	0.8
202.04085	1.6
208.17046	0.8
209.15402	2.0
216.05663	2.2
222.15018	1.1
231.04257	3.3
233.06007	0.8
236.14757	1.7
241.06480	1.9
255.08015	2.1
256.08499	0.6
257.19211	0.6
264.14221	6.3
265.14734	0.8
269.09454	1.5
270.10309	8.0
271.11191	0.9
275.20099	5.4
281.14514	2.0
282.15234	31.4
283.15588	0.7
293.21182	1.3
307.17291	0.9
308.09125	1.9
309.14023	1.5
323.15948	1.0
333.18866	1.8
350.21420	6.8
351.19937	1.6
368.22571	14.4
384.17175	12.5
385.17770	2.0
390.16315	0.8
453.24213	100.0
454.24609	2.3
479.25732	1.1
525.26080	3.5
537.26373	1.0
582.28827	1.5
600.29474	31.9
673.33887	0.9
762.34943	2.3
763.35651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01840	0.8
57.03440	0.4
61.02918	0.6
65.03954	0.1
67.01862	0.7
69.03432	1.6
69.24479	1.0
69.24893	0.2
71.05000	0.2
73.02899	0.3
80.07931	0.1
81.03420	0.9
83.01325	0.1
85.02911	4.8
91.03962	0.4
91.82133	0.1
93.03402	0.4
97.02896	3.8
99.04496	0.3
109.02876	0.6
111.04413	0.2
119.04953	0.3
121.02850	2.1
125.02357	0.6
127.03938	1.0
139.03906	1.5
143.03384	0.2
145.02853	0.3
145.04993	1.0
147.04417	1.7
149.02345	16.8
153.01834	4.3
167.03401	50.7
168.03758	0.4
177.01822	1.8
177.05473	0.4
185.04457	28.9
186.04881	0.3
195.02890	49.0
196.03235	0.5
199.81293	0.1
205.01331	1.5
218.65413	0.1
223.02373	100.0
224.02740	1.0
241.00320	0.2
255.04994	68.9
256.05280	0.8
325.03464	0.9
343.04477	1.0
347.09772	1.9
361.05615	2.6
407.06195	1.4
417.10217	2.2
455.74008	0.1
485.22827	0.2
676.95215	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01873	0.7
55.05511	1.4
56.08276	0.3
57.03436	1.4
58.68761	0.3
61.02934	4.1
67.05510	5.9
69.03433	2.3
69.07066	2.4
70.77720	0.9
71.05015	0.5
73.02917	2.7
77.37563	0.4
79.05503	3.6
81.03424	2.1
81.07066	6.7
81.46804	0.3
83.04989	0.6
83.08620	1.5
85.02906	4.2
86.09712	2.1
87.10021	0.4
91.03965	2.7
91.05478	3.1
93.07047	4.1
95.04983	1.1
95.08612	2.3
97.02911	3.1
97.06577	1.0
97.10204	0.5
99.04462	0.7
101.02373	1.8
105.07053	1.9
107.04963	0.5
107.08581	2.8
109.02903	0.7
109.10175	0.9
111.08124	0.7
117.07024	0.9
119.08612	1.5
121.10158	2.1
125.00002	1.2
127.03935	1.5
131.08568	0.8
133.10155	1.8
135.08119	0.4
135.11713	0.9
149.13345	1.4
159.11713	1.0
166.01855	0.3
184.07355	6.1
185.04431	0.4
185.07703	0.8
195.13870	1.0
203.05197	0.5
235.13199	1.0
243.08395	3.3
269.17542	0.5
291.15796	0.5
333.20465	1.4
403.46921	0.4
453.20966	10.2
466.47083	0.3
469.20428	0.5
551.28448	4.3
562.67596	0.4
577.28839	0.4
665.35455	1.1
714.94214	0.4
763.42371	100.0
764.42627	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	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05518	1.4
57.03431	1.2
61.02930	3.8
67.05512	5.3
69.02151	0.5
69.03432	2.4
69.07066	3.1
71.01359	0.7
71.05009	0.6
73.02908	2.8
75.41209	0.6
79.05502	3.7
81.03419	2.3
81.07062	7.4
83.04979	0.7
83.08622	0.9
85.02910	4.8
85.06544	0.5
86.09715	1.1
87.04453	0.5
91.03956	3.2
91.05498	3.1
93.07048	4.7
95.04985	0.5
95.08605	2.1
97.02909	4.3
97.06521	1.2
97.10171	1.0
99.04482	0.9
101.02390	1.8
105.07065	1.9
107.04977	0.5
107.08620	3.0
109.02907	0.8
109.10155	1.0
111.08064	0.5
117.07013	0.6
119.08598	1.6
121.10175	1.4
125.00012	1.1
127.03941	0.8
131.08607	1.3
133.10130	1.4
135.11700	1.0
147.11751	1.0
149.13295	2.6
159.11772	1.5
177.12708	0.5
184.07364	3.6
185.04247	0.8
195.13777	0.8
201.92410	0.5
235.13246	0.5
243.08389	2.6
301.08749	0.5
333.20520	2.0
368.76865	0.6
389.23163	0.8
421.26694	0.6
453.20926	9.5
469.20905	0.7
471.22235	0.7
525.23621	0.6
551.28162	3.7
665.35327	0.6
711.63934	0.5
763.42383	100.0
764.42682	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	763.46
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
54.90953	0.3
55.01860	0.4
55.05507	1.1
57.03445	2.3
57.07054	0.3
61.02930	5.9
66.01372	0.3
67.05511	5.3
69.03436	2.9
69.07058	1.2
69.43048	1.3
69.43455	0.5
71.01360	0.4
71.05006	2.3
71.08630	0.3
73.02923	4.0
79.05497	3.3
81.03430	1.7
81.07059	6.4
83.04988	0.7
83.08618	0.6
85.02912	5.5
85.06569	0.3
87.04496	0.3
91.03966	3.8
91.04964	0.4
91.05482	2.6
93.07052	4.1
93.93130	0.3
95.04963	0.4
95.08612	3.4
97.02908	5.3
97.06505	0.4
97.10165	0.4
99.04462	1.1
101.02385	2.1
105.07013	1.9
107.08610	2.1
109.02910	1.1
109.10182	1.5
117.07039	0.4
119.08614	0.6
120.42522	0.3
121.10160	1.5
123.11755	1.0
127.03947	1.5
129.05423	0.3
131.08578	0.8
133.10114	1.8
135.11731	1.2
145.04970	0.4
145.10132	0.7
149.13258	0.7
151.11244	0.6
154.98962	0.3
159.11740	0.6
173.13300	0.6
185.04199	0.7
187.13353	0.3
243.08383	2.6
257.17465	0.5
267.15744	2.0
301.20248	0.3
330.39917	0.3
333.15179	0.6
335.25903	1.0
441.21457	0.3
485.23611	4.6
519.29333	8.2
531.94318	0.3
542.96063	0.3
756.87158	0.3
763.46051	100.0
764.46399	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	764.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.05019	0.8
57.03439	0.4
57.07067	0.5
58.06598	0.5
59.89508	0.3
60.07885	0.3
60.08165	5.3
61.02929	0.3
67.05504	1.3
69.07053	1.4
69.47472	1.6
71.04980	0.3
71.07370	2.6
71.08616	0.5
75.31927	0.2
76.12587	0.2
79.05486	0.8
81.03424	2.6
81.07066	1.4
83.08620	1.4
85.02888	0.3
86.09708	28.9
91.05470	0.9
93.07036	1.0
95.04955	0.9
95.08625	1.3
97.02895	0.3
97.10160	0.8
98.98463	2.8
104.10751	2.0
104.56731	0.3
105.07018	0.7
107.08607	0.5
109.10166	0.8
110.49949	0.2
119.08569	0.5
121.10141	0.5
125.00008	18.1
129.06947	0.2
131.08521	0.4
135.11665	0.4
139.07855	0.2
157.10123	0.6
175.11145	0.3
184.07346	100.0
185.07689	0.7
193.12247	0.6
267.15930	3.6
339.28976	3.4
531.40460	2.8
549.41364	0.8
572.62531	0.3
700.90839	0.3
709.55304	0.3
714.47052	9.3
715.47906	0.4
764.46179	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	765.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
56.89986	1.4
57.07074	2.8
59.44663	1.3
64.45439	1.4
66.15034	1.5
67.05518	9.4
69.07056	7.9
71.53471	2.0
78.13353	1.6
79.05496	5.4
81.07053	10.8
83.08604	4.2
89.31170	1.5
91.05451	4.2
93.07043	6.2
95.08582	7.0
97.10170	3.3
98.98467	2.5
105.07035	4.2
106.58653	1.4
107.08593	3.1
109.10159	2.2
115.03721	2.1
119.08569	2.3
121.10149	3.6
123.08074	1.7
130.45343	1.4
131.08548	1.7
133.10136	2.3
135.11749	2.6
147.11673	2.4
151.07552	3.0
176.99243	2.8
179.14334	2.2
195.00307	100.0
202.36897	1.3
331.26172	10.4
387.28827	4.4
571.47174	2.7
593.36841	1.6
593.45447	23.6
611.46259	1.9
623.37390	1.5
667.52911	3.1
765.47089	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	766.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05501	0.6
57.03419	1.2
58.99582	0.7
61.02922	2.1
66.80460	0.4
67.05511	0.6
68.39786	0.4
69.03146	0.5
69.03437	4.9
69.18462	1.4
69.18888	2.8
71.04979	0.8
73.02902	1.3
76.02238	2.6
79.05476	0.8
81.03442	2.2
81.07059	4.4
84.04502	1.8
85.02914	13.7
86.09697	0.6
87.04481	0.8
91.03954	0.9
91.61586	0.4
97.02908	5.5
98.51676	0.4
99.04420	1.1
109.02877	1.4
116.01659	1.1
123.04420	0.9
127.03918	3.2
130.04991	1.2
130.06796	0.5
139.03888	0.9
144.01198	0.9
145.04974	2.3
147.04417	0.7
151.03886	2.0
155.03374	0.5
162.02257	2.2
163.03911	2.5
167.03461	0.7
169.04968	4.6
177.05559	1.2
179.03392	8.6
179.04895	2.5
181.04973	9.7
183.02994	0.8
187.03926	1.1
187.07428	0.8
195.06616	1.0
197.04463	42.5
201.09039	0.7
205.04985	2.7
205.08614	1.8
209.04509	2.5
209.08040	0.9
211.05885	1.2
219.10219	0.5
223.06049	7.4
223.09497	2.0
229.08572	1.0
233.05815	0.9
237.11108	0.5
245.05424	0.4
247.09650	2.8
265.10721	100.0
266.10977	1.0
267.16080	0.5
308.09082	7.6
362.14005	0.5
427.16028	37.5
428.16422	1.0
486.47885	0.4
764.25452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05483	0.4
57.03448	1.7
57.07074	0.2
58.99559	0.6
61.02927	1.9
66.55307	0.2
67.01860	0.4
67.05495	0.4
69.03091	0.3
69.03430	5.2
69.07045	0.4
69.64893	0.2
71.04977	0.9
72.08153	0.3
73.02901	0.7
76.02231	3.3
79.05470	0.9
81.03424	2.5
81.07061	4.8
83.01329	0.5
84.04502	1.8
85.02905	13.9
87.04455	0.8
91.03953	0.7
91.05472	0.3
95.04942	0.3
97.02888	5.3
98.20727	0.6
99.04449	1.0
109.02859	2.1
116.01674	0.7
123.04411	1.6
123.08032	0.3
127.03920	3.1
130.04994	1.3
130.06863	0.5
131.04865	0.4
137.09570	0.2
137.28490	0.3
139.03917	0.5
139.79637	0.3
142.03192	0.3
144.01152	0.4
145.04971	2.2
145.35028	0.3
147.04433	1.2
149.02359	0.3
149.06006	0.3
151.03912	2.2
153.05519	0.3
155.03378	0.9
159.04379	0.3
159.08083	0.3
162.02171	1.8
163.03903	2.4
165.30322	0.2
167.03383	0.6
169.04951	5.1
177.05444	1.6
179.03380	7.8
179.04875	2.2
181.04958	10.5
181.06546	0.6
183.02899	0.6
184.09705	0.4
185.04451	1.0
187.03889	1.1
187.07503	0.9
193.04970	0.4
195.06494	0.6
196.03209	0.3
197.04457	44.1
201.09120	0.7
205.04955	3.1
205.08569	1.8
209.04411	2.0
209.08138	0.9
211.05968	0.8
219.10118	0.5
221.04428	0.4
223.02531	0.4
223.06015	7.0
223.09473	1.7
224.02702	0.3
225.02914	0.3
229.08508	0.8
229.14267	0.3
233.05939	0.6
247.09708	3.1
256.05411	0.3
265.10706	100.0
266.10944	1.5
308.09100	6.3
362.13992	0.4
364.48300	0.3
418.43564	0.3
427.16003	35.6
428.16299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96610	0.9
55.01870	3.4
55.05513	18.9
57.03431	4.4
59.05009	1.1
61.02910	1.2
65.03931	1.1
67.05508	32.0
69.03427	4.5
69.07069	21.0
71.05001	2.5
71.52388	1.0
79.05495	37.5
81.03423	5.5
81.07062	24.0
83.04995	7.4
83.08627	8.2
85.06561	1.7
86.65077	0.8
91.05482	28.1
93.07047	33.3
93.07639	1.9
93.70834	0.9
95.04974	12.8
95.08610	18.3
97.02904	6.0
97.06524	3.6
97.10161	8.0
105.07030	25.1
105.07693	1.8
107.04966	6.3
107.08591	11.7
109.06525	3.3
109.10193	6.6
109.65762	0.9
111.08105	1.8
115.05451	1.0
117.07020	6.9
119.04967	1.6
119.08584	17.1
119.09382	1.9
119.16022	0.9
121.06507	2.7
121.10149	5.1
123.08052	5.4
123.11677	1.0
125.09622	6.5
128.06238	1.8
129.07021	8.5
131.08606	6.2
133.06529	2.8
133.10159	8.6
135.08083	2.2
135.11658	2.4
137.09615	1.3
143.08580	5.4
145.10143	8.8
147.08073	4.6
147.11684	15.8
149.09637	1.5
149.13269	1.2
156.09265	1.2
157.10143	2.3
159.11707	2.5
161.09612	2.9
161.13210	5.3
163.11287	1.1
169.10075	1.9
171.11693	12.2
173.11713	0.9
175.11211	1.6
177.12695	1.9
189.11229	1.6
189.12747	4.5
205.12300	1.2
207.13828	12.2
223.13263	9.1
227.12759	4.0
249.14891	1.5
263.16379	1.1
267.15759	1.3
273.18527	10.7
275.20114	1.1
281.14301	1.5
281.17474	41.9
291.19543	63.9
292.19977	2.0
347.22153	1.2
365.23233	29.1
365.27866	1.4
366.23593	1.1
451.26959	1.2
473.28967	3.1
503.37021	1.9
553.35022	2.9
571.36285	100.0
572.36572	4.7
768.47461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05513	1.2
60.16465	0.2
63.02382	0.6
67.05508	3.0
67.41344	0.2
69.03425	0.9
69.07058	0.6
71.04981	0.4
79.05064	0.4
79.05493	3.5
81.03438	1.3
81.07063	3.0
83.04990	0.4
83.08633	0.3
89.03925	9.3
91.05470	1.9
93.07049	2.9
95.04952	0.6
95.08616	2.5
97.02876	1.1
97.06542	0.3
97.10155	0.3
105.07021	1.3
107.04956	2.4
107.08608	1.5
109.02889	0.9
109.10184	0.8
111.04447	0.3
117.03394	10.2
117.07021	0.7
119.08603	1.3
121.10139	1.1
123.04456	0.5
127.03926	1.0
129.07021	0.5
131.08582	0.7
133.10133	1.0
135.04427	20.1
135.11710	1.0
145.02867	12.5
145.06509	0.3
145.10136	0.7
147.11710	0.5
151.03876	0.5
155.52122	0.3
157.06430	0.3
159.11711	0.5
161.13329	0.5
163.03918	100.0
163.14944	0.3
164.04266	0.8
167.03401	1.0
173.05956	0.8
173.13281	0.4
177.05486	0.4
181.06534	0.3
184.07253	0.3
185.04485	4.2
185.05994	0.6
186.05528	1.1
197.04335	0.3
199.14809	0.4
201.05481	1.0
209.04358	0.3
221.37079	0.3
227.12830	0.8
229.04916	0.4
247.06085	3.2
255.06503	0.3
259.20627	0.6
261.22122	0.8
271.05988	0.5
273.07516	1.3
275.05453	0.4
283.15390	1.6
284.15646	0.7
289.07114	0.5
291.08603	0.3
307.07813	0.3
317.18436	0.3
335.25699	1.6
336.26123	0.7
369.24387	0.7
387.25107	0.5
405.26273	0.4
543.36749	0.9
544.37164	0.6
567.29120	0.6
582.18610	0.3
585.30634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	13.3
55.05275	2.0
55.05518	31.3
57.03446	13.3
61.02911	2.6
61.66430	1.3
65.03935	6.0
67.05514	83.3
69.03421	7.2
69.06731	2.9
69.07078	31.9
71.04986	6.4
73.06543	2.3
79.05503	97.8
81.03416	16.9
81.07066	84.4
83.04996	17.3
83.08622	14.6
85.02885	4.6
85.06536	6.5
89.28967	1.5
91.04899	2.2
91.05492	89.5
93.07056	99.0
94.07349	1.6
95.04984	24.4
95.08620	51.5
97.02897	4.4
97.06538	17.8
97.10172	9.0
98.21539	2.9
99.04453	3.9
99.08097	2.8
103.05473	3.0
105.04525	3.4
105.07044	61.6
106.93888	1.6
107.04961	17.1
107.08607	47.4
109.02898	2.0
109.06522	14.0
109.09486	1.7
109.10172	21.7
111.04456	2.3
111.08090	4.4
113.06042	2.1
117.07021	19.8
119.08597	43.2
121.06548	7.8
121.10171	17.8
123.08072	6.5
123.11713	5.2
125.09629	5.3
127.03925	2.8
127.07587	2.4
128.06242	2.4
129.07021	17.9
131.08578	20.7
133.06485	3.2
133.10146	36.9
135.08018	8.5
135.11707	24.4
137.09573	2.5
139.07533	2.1
141.07013	2.1
142.07785	1.8
143.08571	15.8
145.09081	2.0
145.10147	36.0
147.11707	42.3
149.09619	14.5
149.13254	8.2
151.11180	8.4
155.08556	3.2
156.09349	1.8
157.10121	4.4
159.11671	11.9
161.09662	4.9
161.13295	9.8
163.11197	22.6
167.83264	1.4
169.10213	3.2
171.11714	26.1
173.04425	1.8
173.13280	5.3
177.12717	2.9
179.14261	3.8
181.12317	2.3
183.11705	1.9
184.07222	2.0
189.11234	3.1
189.12675	10.4
195.13710	2.3
197.13240	2.1
207.13817	25.6
210.14694	1.6
227.12823	27.3
239.17802	2.9
253.14359	21.2
255.15858	6.3
257.19025	10.8
263.16464	2.0
267.16025	2.9
269.17465	13.2
269.36148	1.8
273.18478	4.4
275.20114	32.7
281.17520	78.6
283.15390	15.7
291.19629	6.7
293.20929	2.5
327.41559	1.9
331.22778	3.6
347.22208	4.0
349.23740	22.1
365.22995	8.1
367.25095	2.9
377.23508	3.3
413.21738	2.0
420.61627	2.1
435.27631	4.0
451.26840	3.4
457.29645	1.9
461.29095	28.9
475.30606	100.0
479.26218	8.5
515.33453	3.7
537.35657	3.1
546.42847	2.0
555.37061	53.6
556.37158	2.8
573.34015	24.1
619.34357	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	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.9
55.02008	0.4
55.05400	7.3
55.05700	3.4
57.03322	3.4
57.03629	1.4
57.06963	1.3
57.07273	0.7
61.02807	9.1
61.03160	3.2
65.03843	0.9
65.04134	0.5
67.05375	15.7
67.05782	4.4
67.06456	0.5
69.03301	5.3
69.03712	1.4
69.06937	7.8
69.07360	2.0
71.01266	0.9
71.04861	1.6
71.08526	0.7
71.82402	0.4
73.02782	6.8
73.03236	1.4
76.28217	0.4
79.05356	10.8
79.05867	2.2
81.03281	3.1
81.06911	16.2
81.07450	3.1
83.04829	1.6
83.08475	4.8
83.09005	0.7
83.95358	0.4
85.02760	10.9
85.03333	2.0
85.06425	1.0
86.09589	0.4
86.29530	0.4
87.04372	0.9
91.03801	5.0
91.05334	10.7
91.05962	1.6
93.06889	14.2
93.07542	2.2
95.04812	1.5
95.05368	0.5
95.08456	14.7
95.09129	2.0
97.02734	9.0
97.03426	1.2
97.06369	1.7
97.06960	0.6
97.10010	2.2
99.04279	1.2
99.08006	0.7
101.02216	1.4
101.02833	0.5
101.09690	0.5
102.81623	0.4
103.05331	0.7
105.06866	10.9
105.07647	1.2
107.04810	0.7
107.08434	8.6
107.09210	1.0
109.02760	1.2
109.06369	1.2
109.09989	6.7
111.07925	1.2
111.11660	0.5
115.05291	1.3
117.06844	6.5
119.08409	11.9
121.09967	5.7
123.07957	1.0
123.11550	2.2
125.09493	1.1
127.03728	2.4
128.06042	2.0
129.05385	0.6
129.06824	8.2
130.07690	0.6
131.08389	9.3
131.09447	0.7
133.09950	7.4
133.11028	0.6
135.07956	0.7
135.11694	4.2
137.09489	0.6
137.13095	0.7
139.10994	0.6
141.06793	3.3
142.07596	2.1
143.08376	11.0
144.09209	0.7
145.10136	10.8
145.11147	0.7
147.11697	4.4
149.13040	1.8
153.06874	0.9
154.07578	1.3
155.08566	8.6
156.09245	0.8
157.10147	8.4
157.11356	0.5
159.11722	7.3
159.12894	0.5
161.13065	1.9
163.14673	1.0
165.06808	1.2
166.07629	0.6
167.08560	4.4
168.09221	1.0
169.10141	10.1
170.10820	0.8
171.11705	9.5
173.13271	4.3
175.14680	1.4
177.16183	0.5
179.08400	1.0
180.09212	0.9
181.10126	6.4
182.10706	0.5
183.11708	10.7
184.12201	0.4
185.13263	6.6
186.13730	0.5
187.14816	2.5
189.16302	0.9
193.10135	2.5
194.10793	0.6
195.11702	5.3
196.12248	0.9
197.13275	7.8
199.14864	3.7
201.16237	1.4
203.17767	0.6
205.09904	0.5
207.11644	2.6
209.13275	6.3
210.13785	0.9
211.14871	5.6
213.16499	2.7
217.09550	0.5
217.19278	0.5
219.11647	0.9
221.13257	2.5
223.14873	4.9
225.16405	4.1
227.18149	2.1
229.22289	0.5
233.13077	1.3
235.14563	1.9
237.03780	0.6
237.16408	2.6
239.18053	2.3
241.19556	1.0
247.14799	0.7
249.16176	1.3
251.17743	1.9
253.19331	1.5
257.18857	0.8
261.16272	0.6
263.17758	1.0
265.19427	0.8
277.19342	0.5
281.18640	0.6
283.20209	0.5
291.21021	0.6
293.22379	0.5
295.20374	0.7
297.21957	0.7
309.21890	0.8
311.20062	0.8
311.23413	0.8
313.21381	0.6
323.23514	1.0
335.23419	0.8
337.25076	1.1
339.23239	0.6
339.26840	0.8
349.25159	0.9
351.26755	1.2
353.24643	0.5
361.25186	0.5
363.26718	1.0
365.28143	1.2
367.26102	0.8
377.28513	0.7
381.27399	0.6
391.30032	0.8
395.29312	0.5
403.29886	0.5
407.28772	0.6
407.33691	0.5
409.31018	0.8
421.30991	0.8
423.32660	0.7
447.32336	0.9
449.33768	0.7
475.34839	0.6
495.34808	0.6
499.39041	1.3
501.35608	0.8
513.35724	0.6
515.37701	0.9
517.40631	5.5
525.35394	0.6
527.37451	0.7
535.41931	2.3
539.37317	2.0
541.39154	1.5
545.37872	0.6
553.40021	0.7
567.39929	0.7
573.43030	1.1
591.44080	6.8
607.43445	2.6
609.45160	100.0
610.45551	3.9
611.46594	0.8
621.45105	1.4
717.47894	0.8
735.48376	1.8
753.49512	1.5
771.50519	22.1
772.51385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80480	0.4
55.01883	1.0
55.05508	2.3
56.05027	0.5
57.03443	2.1
58.99588	9.4
61.02929	2.2
65.03943	0.7
67.05507	4.3
69.03416	1.7
69.07059	1.1
70.06586	0.8
71.04976	1.1
71.52038	0.4
71.52417	0.4
73.01129	0.3
73.02900	0.4
76.02228	54.9
76.03983	1.8
79.05493	4.4
80.05024	0.8
81.03417	47.7
81.07052	4.9
83.04968	2.0
83.06096	0.6
83.08620	11.7
84.04088	0.5
84.04501	12.9
84.51410	0.3
85.02903	2.8
85.04027	1.2
86.99051	1.5
88.02233	0.8
91.03954	0.7
91.05479	7.2
92.01738	0.6
93.07044	3.5
94.06590	0.5
95.04968	14.1
95.08604	1.2
97.02889	2.7
97.10151	0.8
99.08099	0.4
100.02201	0.5
102.05506	0.5
105.07034	4.6
107.04969	3.1
107.08586	1.6
109.02898	0.4
109.06519	1.3
109.10143	0.6
111.04429	1.5
111.08086	5.8
112.03956	0.5
114.03761	0.4
115.05484	0.6
116.01678	14.8
116.70807	0.5
117.07024	0.8
119.04967	0.6
119.08578	5.8
121.06533	1.0
121.10145	2.6
123.04399	0.7
123.08096	0.7
124.67718	0.3
125.09627	0.4
129.07031	3.9
130.05008	9.6
131.04539	1.2
131.08571	4.0
133.06485	1.9
133.10162	2.4
137.09654	0.7
140.73462	0.4
141.04865	0.8
141.07005	0.4
142.03212	5.6
142.07790	1.3
144.01144	9.4
145.06046	0.6
145.10095	0.6
146.02748	0.5
147.04454	0.6
147.08018	1.4
147.11691	4.2
149.09651	3.4
151.39166	0.4
157.10127	6.0
162.02200	29.8
163.11224	0.6
165.12758	1.2
170.02707	2.5
175.11201	7.4
177.03288	3.7
179.04855	42.7
185.03874	0.6
187.05423	1.8
193.12245	33.4
194.12451	0.7
211.13271	3.0
212.11375	0.4
214.16222	0.4
215.04837	2.0
227.04869	0.4
231.04356	0.7
233.05916	10.3
235.13373	1.1
245.05878	2.4
250.12695	0.6
262.38171	0.4
267.15921	18.7
285.16959	23.7
290.08011	0.8
291.06473	1.7
301.14276	0.3
306.07477	0.6
308.09100	100.0
309.09433	1.1
309.17062	2.7
350.09988	0.6
363.18039	1.1
393.18845	0.6
396.20441	0.7
452.13254	0.6
470.14175	1.2
574.24158	1.5
592.25415	4.7
736.30066	0.6
754.30487	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	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05516	25.6
55.05790	1.3
57.03440	9.9
57.07079	1.2
58.06600	1.3
59.04992	1.4
61.02948	1.9
65.03942	2.9
67.05509	46.5
69.03434	10.5
69.07073	26.4
70.06584	0.9
70.78016	1.9
71.05009	6.2
72.04498	0.9
73.02921	1.3
77.03943	1.0
79.05499	42.4
81.02935	1.4
81.03421	38.6
81.07063	49.6
83.04987	17.1
83.08627	22.6
85.02906	15.0
85.06541	3.5
86.06084	0.9
91.05486	45.3
93.07048	33.4
95.04974	23.1
95.05572	1.7
95.08615	23.0
97.02896	8.8
97.06537	10.3
97.10170	13.2
99.04456	1.9
99.08075	1.8
100.69456	0.8
105.07037	36.0
107.04958	13.3
107.08602	23.8
109.02892	1.1
109.06538	5.6
109.10164	21.2
109.49342	0.8
111.04435	4.1
111.08096	9.0
113.06013	1.9
113.98676	0.8
115.05475	2.5
117.07030	10.8
119.04926	2.2
119.08584	28.2
121.06502	6.4
121.10149	12.2
123.04431	0.9
123.08057	5.8
123.11735	4.1
125.09628	8.9
127.07574	1.3
128.06232	1.7
129.07014	10.6
130.07787	1.1
131.04959	0.9
131.08574	19.2
133.06541	3.8
133.10136	30.5
135.08064	6.7
135.11723	7.2
137.09650	3.6
142.07809	2.4
143.08594	5.0
144.64272	1.0
145.10136	8.3
147.08089	7.6
147.11697	13.8
149.09639	8.2
149.13266	1.9
151.07697	1.2
151.11200	9.7
153.12752	1.3
155.08638	1.1
157.10136	12.2
159.08139	1.6
159.11703	4.1
161.09589	4.3
161.13225	1.6
163.11174	4.7
165.09106	2.2
165.12755	2.4
168.09488	0.8
169.12381	1.3
171.11726	3.3
173.09677	1.2
173.13225	1.9
175.11197	13.0
177.09138	0.9
177.12743	1.4
179.10674	1.0
179.14339	1.3
181.12314	1.1
183.11646	1.2
184.07361	2.3
185.13303	1.9
187.11185	1.2
189.11226	3.7
189.12700	1.3
191.10718	0.9
193.12262	29.7
195.13815	1.5
198.14896	4.1
205.12206	1.9
211.13293	35.9
219.13895	1.2
223.13287	12.4
227.12753	6.1
245.19044	1.8
247.13605	1.0
249.14885	2.3
251.12810	1.3
253.11687	1.8
253.14357	32.9
255.17479	2.0
263.20166	1.2
267.15936	20.9
269.17413	4.1
273.18500	19.9
275.20105	5.3
283.15430	5.9
285.14642	0.8
285.16971	44.3
291.19550	76.7
292.19916	1.2
301.16510	2.2
347.22333	4.7
349.23807	4.1
365.23251	46.6
366.23483	1.1
445.25571	2.0
463.26889	5.8
477.28467	1.9
481.28033	3.4
483.31024	1.3
495.29611	1.2
501.32294	1.9
507.04504	0.9
515.35999	1.0
525.35791	1.2
539.33746	4.1
543.36871	5.5
548.39771	0.9
557.34747	40.3
558.35089	1.4
561.38782	1.2
575.35791	100.0
576.35876	2.5
593.37250	1.5
610.43445	6.3
719.39471	1.0
772.47815	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	772.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.9
55.05517	45.6
55.70048	2.1
57.03440	24.4
57.07062	3.0
57.97213	2.2
58.06599	8.5
59.04987	3.8
61.02921	7.1
65.03951	5.7
67.05511	93.4
69.03429	13.9
69.06732	3.3
69.07076	44.6
69.32743	2.2
70.06597	4.1
71.05006	12.0
71.11066	2.1
71.52872	2.3
71.53230	2.7
72.04530	3.7
73.02921	5.2
79.05501	86.1
81.03426	78.5
81.03796	1.5
81.07066	100.0
83.04981	20.2
83.08631	34.3
84.08144	2.7
85.02912	18.6
85.06547	7.7
86.06073	9.3
91.03965	3.5
91.05488	87.1
93.06485	4.9
93.07049	71.8
95.01319	2.8
95.04984	45.7
95.08616	43.0
96.04494	7.9
97.02895	15.4
97.06532	21.2
97.10168	20.4
103.05470	3.9
105.07045	57.2
107.04976	22.7
107.08607	54.0
109.06531	16.6
109.10172	35.1
111.04442	8.5
111.08116	10.7
113.05967	3.0
114.40929	2.4
115.05467	4.6
117.07018	20.9
119.04926	4.5
119.08585	48.3
121.02850	2.4
121.06514	15.6
121.10172	27.1
123.04435	4.1
123.08076	9.4
123.11720	7.4
125.09652	12.0
129.07033	20.1
131.04926	3.1
131.08589	35.5
133.06480	8.0
133.10139	48.2
135.08072	16.8
135.11713	14.3
135.57571	2.3
137.09618	8.2
142.07828	5.6
143.08586	8.7
145.06456	6.3
145.10132	18.8
147.08060	17.2
147.11697	24.1
148.71011	2.2
149.09627	17.7
149.13297	5.9
151.11194	16.7
153.09158	2.6
154.84645	2.6
155.08556	3.5
156.02402	2.5
157.10136	21.3
159.08057	10.4
159.11731	11.6
161.09662	6.0
161.13281	3.5
163.07550	4.7
163.11214	10.8
165.09085	4.5
169.10098	2.9
169.12340	3.1
171.11676	6.0
173.09647	2.8
173.13257	2.3
174.81676	2.3
175.11191	20.6
177.12817	3.8
181.12253	3.1
184.07382	10.1
186.66916	2.4
187.11269	3.8
189.11189	5.7
191.14253	2.6
193.12262	28.1
195.13957	3.6
196.13344	2.9
198.14923	10.6
205.12247	4.5
211.13312	33.2
215.12823	3.7
219.13882	4.6
223.13249	15.7
227.12810	14.3
229.14255	3.0
233.15454	3.3
245.19072	4.0
249.14903	3.6
253.14342	29.1
259.20642	2.6
261.18542	2.4
263.16638	2.5
267.15927	64.1
269.17380	16.7
270.16959	3.5
271.16934	3.3
273.18430	26.3
275.20074	7.8
283.15430	7.5
285.16998	39.2
287.05438	4.5
289.17993	14.6
291.19543	91.4
299.14880	3.0
302.37601	2.3
307.19009	3.4
313.21588	2.9
333.24301	2.3
335.25650	3.0
347.22296	8.9
349.23639	6.4
350.66064	2.2
363.21533	5.7
365.23215	62.9
381.22723	4.8
445.25809	2.9
459.27408	4.9
463.26892	11.8
477.28308	6.6
481.04080	2.7
481.27899	8.6
483.30978	6.2
539.34149	11.2
548.39301	12.1
557.34808	86.2
559.37158	2.8
566.40564	3.5
575.35840	93.1
576.35815	3.3
578.40326	10.8
592.41760	5.7
610.43243	13.1
754.47205	2.6
772.48499	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	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
55.05513	14.5
57.03443	5.7
57.07080	1.6
59.05006	1.4
61.02924	1.5
65.03934	2.6
67.05508	53.2
69.03419	2.2
69.07072	12.3
71.04996	19.6
71.53368	1.5
73.06548	1.1
79.05498	34.0
81.03426	2.5
81.07059	59.6
83.04996	7.3
83.08620	7.0
84.91639	0.9
85.02919	2.1
85.06557	5.9
91.05482	44.2
93.07047	36.2
93.07639	1.9
95.04958	4.5
95.08608	20.9
97.02866	1.2
97.06532	5.7
97.10158	2.5
99.08091	1.5
103.05455	1.3
105.04475	1.2
105.07036	46.7
107.04951	3.3
107.08593	21.8
109.06526	3.4
109.10165	16.6
111.08083	3.3
115.05547	1.1
117.07008	12.7
119.08584	37.6
121.06499	2.5
121.10156	11.8
123.08102	1.9
123.11717	8.3
129.06982	3.6
131.08572	15.5
131.24789	1.0
133.10135	41.7
135.08058	5.1
135.11691	7.2
137.09642	3.7
141.07042	1.5
143.08577	3.3
145.10109	10.3
147.08038	1.2
147.11678	17.3
149.09593	5.1
149.13222	5.3
151.11206	6.3
155.08577	1.9
157.10120	3.2
159.11700	13.9
161.09587	1.0
161.13281	3.9
163.11227	1.2
169.10149	2.1
171.11707	3.5
173.13258	7.0
177.12772	2.9
183.11711	1.8
183.13812	2.8
184.07355	3.7
187.11177	1.2
187.13382	1.3
187.14877	2.2
195.13838	1.4
197.13261	1.7
201.12753	1.1
225.14903	4.8
229.14388	2.1
229.19531	2.1
233.03792	0.9
233.15395	2.1
239.17799	2.2
247.20537	1.6
251.16495	3.2
257.19263	1.7
269.17474	10.4
275.20074	40.5
276.20428	1.4
293.21072	1.2
301.20071	25.0
331.22308	1.1
335.25809	2.5
339.83414	1.2
349.23721	13.2
376.31705	1.0
423.27087	1.8
476.55688	1.0
499.34131	1.3
517.35315	32.9
531.36871	7.5
543.36829	100.0
544.37329	4.5
575.39539	46.3
575.47168	0.7
575.48785	1.2
576.39655	1.8
587.76697	1.2
593.36560	1.9
687.40112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.7
55.05273	1.2
55.05515	13.1
57.03435	5.3
57.07059	2.3
61.02909	0.7
65.03938	3.3
67.05510	47.2
68.93176	0.7
69.03427	2.5
69.07074	23.5
71.05000	20.4
79.05499	29.0
81.03416	6.5
81.07062	68.1
82.71757	1.0
83.04986	6.4
83.08627	8.8
85.06556	3.9
86.09688	1.1
91.05486	45.2
93.07048	33.4
93.07640	1.7
95.01324	7.0
95.04967	5.7
95.08611	23.7
97.02927	1.1
97.06533	16.5
97.10172	2.2
99.08115	1.2
103.05463	1.5
103.10951	0.7
105.04568	1.2
105.07037	54.0
107.04972	9.2
107.08606	19.1
109.06538	4.5
109.10160	9.3
111.08071	3.2
113.09664	1.0
115.05448	1.4
117.04041	0.7
117.07024	10.2
119.08588	27.2
121.06510	2.2
121.10133	8.8
123.04451	2.4
123.08076	3.2
123.11719	7.9
125.00031	0.9
125.09621	2.0
129.07028	1.9
131.08577	17.0
133.10139	38.5
135.00586	0.8
135.08046	2.3
135.11685	7.6
137.09627	2.2
139.07523	1.0
141.07007	1.8
143.08595	1.8
145.06509	1.7
145.10129	13.6
147.11710	12.8
149.09605	4.4
149.13269	7.1
151.11188	7.1
155.08588	1.3
157.10129	3.3
159.08049	1.0
159.11687	10.7
161.09648	0.8
161.13234	4.1
163.11172	2.7
165.09172	1.2
169.10141	1.7
171.11737	1.9
173.13263	3.5
177.12773	3.4
179.14294	7.2
183.11659	1.4
183.13834	2.6
184.07309	2.1
187.11215	1.6
187.13301	2.1
195.13864	2.0
197.13286	1.2
201.14893	1.1
201.28079	0.7
225.14857	5.9
229.06165	0.8
229.19487	0.9
247.20515	1.8
251.16443	2.7
257.17221	1.4
257.19321	1.5
269.17426	6.7
269.19778	0.7
275.20084	37.1
293.21179	2.1
301.20081	23.4
331.22806	0.9
349.23730	15.0
349.27652	1.4
440.65433	0.8
445.24271	1.6
517.35309	32.7
518.35620	0.8
525.35779	1.5
531.36926	11.4
543.36847	100.0
544.37439	3.7
575.39465	67.3
576.39886	2.0
687.40430	1.2
692.49646	1.0
719.43420	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	773.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13577	0.4
55.01866	1.1
55.05501	0.6
57.03425	1.4
61.02934	3.1
67.01850	0.4
67.05495	1.6
68.76933	0.4
69.03436	7.3
69.07083	0.5
70.64310	0.6
70.64651	0.5
71.04990	1.1
73.02918	0.8
79.05490	1.4
81.03426	3.5
81.07043	1.4
83.01338	1.4
83.04948	0.5
85.02911	17.4
86.09702	0.5
87.04472	1.0
91.03951	0.9
91.05476	1.4
93.07074	1.7
95.04984	1.5
95.08600	0.8
97.02905	7.2
99.04431	1.1
105.07025	1.0
107.04941	0.4
107.08609	0.6
109.02879	2.4
109.10185	0.7
115.03893	0.4
117.07053	0.5
119.04951	0.5
119.08551	0.8
121.10162	0.5
123.04436	2.9
127.03931	4.0
131.08554	0.4
133.02873	0.5
133.10175	0.9
145.00929	0.4
145.04982	3.0
145.10165	0.5
151.03903	5.5
167.10736	0.5
169.03523	0.8
169.04968	12.6
179.03400	19.6
193.04898	0.4
193.12451	0.4
193.14732	0.4
197.04465	100.0
198.04796	0.8
211.06027	1.9
211.94830	0.4
221.08064	1.2
227.12575	0.5
239.09154	99.4
240.09526	1.5
258.86282	0.4
265.10715	1.0
273.18610	0.4
330.55325	0.4
401.14453	21.9
427.15778	0.4
739.04944	0.4
771.69592	0.4
773.41895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05502	1.0
57.03428	1.3
59.05008	0.5
61.02936	2.5
67.01901	0.5
67.05505	3.0
69.03432	6.0
69.07082	0.6
71.04980	1.3
71.52917	0.4
73.02922	1.1
79.05505	1.9
81.03421	4.1
81.07054	2.1
83.01337	0.9
83.08628	0.7
85.02910	17.6
87.04494	0.9
91.03959	1.6
91.05483	1.9
93.07050	1.8
95.04964	1.6
95.08612	1.3
97.02901	6.7
97.10135	0.5
99.04438	0.7
103.30284	0.5
105.07028	1.6
107.05040	0.5
107.08607	1.6
109.02901	2.0
109.10165	1.0
112.61922	0.4
117.07019	0.6
119.08617	2.1
121.06561	0.5
121.10184	0.8
123.04475	2.7
127.03940	3.7
131.08611	1.0
133.10130	1.5
135.11691	0.8
143.08566	0.8
145.04982	3.4
145.10143	1.2
147.11766	0.7
151.03911	5.9
159.11702	0.6
161.02318	0.5
167.10611	0.6
169.04982	14.4
171.11659	0.6
173.09561	0.5
175.11157	0.5
179.03407	17.6
184.96588	0.5
197.04468	100.0
198.04781	0.9
211.06021	2.2
221.08069	1.1
227.12857	0.7
239.09157	98.2
240.09502	1.1
265.10754	1.1
275.19916	0.5
285.17020	0.5
401.14462	22.1
424.41550	0.5
427.15741	0.5
500.97287	0.5
557.34454	1.0
643.81573	0.4
657.65631	0.5
773.42175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13561	0.4
55.01879	0.8
55.05506	0.8
57.03450	1.5
61.02927	2.0
66.51200	0.3
67.01887	0.6
67.05521	2.4
69.03087	0.5
69.03434	5.8
69.07043	0.6
69.37984	1.4
69.38393	0.7
70.06596	0.5
71.04984	1.1
73.02921	0.8
79.05499	1.7
81.02996	0.3
81.03422	4.0
81.07048	1.8
83.01338	1.1
83.04960	0.6
83.08624	0.6
85.02913	16.0
87.04471	1.3
91.03950	1.2
91.05486	1.9
93.07041	1.7
95.04984	1.7
95.08619	0.8
97.02900	5.8
97.06534	0.6
97.10163	0.5
98.21504	0.6
99.04455	1.1
100.83846	0.3
105.07052	1.5
107.04980	0.5
107.08570	0.7
109.02883	1.5
109.10142	0.6
116.07153	0.4
117.06996	0.5
119.08573	0.9
121.10141	0.8
123.04449	2.5
127.03931	3.7
128.76447	0.3
129.07027	0.4
131.08575	0.6
132.09059	0.3
132.75612	0.3
133.02794	0.6
133.10150	0.8
137.09712	0.3
141.05461	0.4
145.04984	2.8
145.10147	0.6
147.04413	0.3
147.11671	0.4
151.03925	6.1
151.11171	0.3
157.10031	0.5
159.11714	0.4
161.02324	0.3
163.11183	0.4
167.10770	0.5
169.03535	0.7
169.04971	11.9
179.03407	17.5
182.15392	0.4
193.04913	0.6
193.12360	0.4
196.30080	0.3
197.04465	100.0
198.04778	0.8
210.14912	0.7
211.06033	1.5
221.08051	0.7
227.13029	0.3
239.09155	92.0
240.09488	1.1
253.14330	0.4
265.10684	1.1
267.15875	1.2
268.16382	0.4
291.19559	1.1
365.23111	0.7
401.14459	19.2
443.27908	0.3
492.38165	0.3
525.01782	0.3
557.34851	0.7
558.35126	0.5
592.38763	0.3
593.38318	0.4
740.28503	0.4
754.42908	0.7
755.42480	0.9
773.39471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
55.05515	31.9
57.03442	14.3
57.07070	7.5
61.02930	13.1
62.22915	2.3
65.03943	7.3
65.38662	2.3
67.05509	95.3
69.03426	7.1
69.07074	31.2
69.23520	11.4
69.23945	10.1
71.04984	6.1
71.08646	3.4
73.02906	4.7
73.58861	2.3
79.05500	80.2
81.03421	8.0
81.07064	95.6
83.04999	6.4
83.08618	14.1
85.02906	12.4
91.03961	5.1
91.05489	72.4
91.74419	2.9
93.07050	100.0
95.04980	7.2
95.08610	70.0
97.02909	9.2
97.06541	4.9
97.10190	6.5
98.20710	4.3
100.87295	2.3
103.04004	2.6
103.05499	2.5
105.04531	2.5
105.07039	71.4
107.08601	48.6
109.06523	5.2
109.10157	31.4
111.08086	3.2
115.05408	5.4
116.35768	2.4
117.07046	24.3
119.07813	4.3
119.08598	63.2
121.06493	4.1
121.10157	33.6
123.08042	5.1
123.11689	11.4
125.09630	2.5
128.06245	4.5
129.07008	20.8
131.08585	36.0
133.10136	51.3
135.11707	29.1
141.06953	4.4
142.07851	2.9
143.08571	18.7
144.09378	2.8
145.06509	2.5
145.10114	30.1
147.11691	33.4
149.09653	2.8
149.13277	17.1
155.08522	4.3
157.10144	18.6
159.11690	34.3
160.12137	2.3
161.09657	3.2
161.13268	32.1
163.11166	2.9
163.14838	6.4
169.10162	9.2
171.11714	21.4
173.13258	21.2
175.14899	12.7
177.12790	4.4
179.14511	2.3
181.10088	4.1
183.11690	9.1
185.13268	18.2
187.14832	6.7
195.11778	4.4
197.13266	7.2
199.14830	11.5
201.16408	5.0
211.14748	3.9
213.16449	3.8
215.17960	4.6
216.62704	2.7
223.14949	3.0
229.19548	3.8
231.20967	6.1
238.84473	2.3
239.17975	2.8
241.19527	28.2
243.21121	5.5
257.18942	8.5
259.18036	4.6
259.20596	55.2
261.22189	10.2
272.90070	2.3
275.19943	2.5
301.21555	4.6
312.29813	3.5
315.23315	5.1
333.24240	41.3
335.25839	89.4
337.27399	3.8
339.23367	3.5
367.22662	6.5
403.24951	3.1
519.42175	4.9
537.43170	3.3
541.38849	2.8
593.45380	13.2
601.44275	3.2
609.45959	4.3
611.46735	94.3
612.46124	3.2
635.46661	3.0
701.47461	8.8
737.49615	6.5
754.85504	3.1
755.50604	5.7
773.51367	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
55.05519	34.9
57.03444	21.1
57.07090	2.4
60.67754	1.7
61.02926	3.5
61.06752	1.5
65.03949	5.7
66.43694	1.5
67.05510	81.9
69.03437	11.8
69.07075	45.2
70.24149	5.1
71.04996	10.8
72.04488	1.7
73.02920	2.2
77.03954	1.7
79.05502	78.7
81.03429	93.4
81.07066	100.0
83.04986	29.3
83.08622	45.4
85.02914	28.1
85.06561	5.5
86.09721	6.0
91.05490	75.1
93.07056	74.0
93.07555	1.4
94.07362	2.4
95.01356	2.1
95.04977	46.8
95.08616	45.2
97.02881	10.1
97.06539	27.5
97.10201	13.0
99.08091	5.3
105.04534	2.3
105.07043	66.2
107.04962	18.5
107.08610	49.6
109.02900	2.7
109.06538	16.6
109.10175	18.4
111.04449	5.2
111.08087	17.7
113.06002	2.5
115.05430	2.1
115.12881	1.7
117.07032	20.4
119.08593	50.0
121.06544	8.1
121.10157	28.2
123.08106	9.0
123.11717	5.3
123.12613	1.6
125.09641	10.4
127.03919	3.9
128.06207	2.1
129.05489	2.5
129.07018	20.2
131.08582	31.8
132.09004	1.8
133.06506	6.6
133.10147	46.4
133.11108	3.4
135.08072	10.8
135.11708	20.7
137.09624	4.2
139.07524	1.8
141.07043	1.8
142.07800	3.7
143.08580	4.6
145.06534	1.8
145.10107	19.5
147.08051	7.3
147.11705	32.7
149.09648	23.4
149.13303	10.9
151.11205	5.3
153.09123	1.7
155.08582	2.4
155.90517	1.7
157.10146	20.9
159.11697	15.6
161.09659	3.9
161.13298	5.4
163.11162	13.0
164.11592	2.5
165.12811	5.1
169.10114	4.2
171.11713	4.1
173.04486	2.7
173.09660	2.9
173.13297	4.5
175.11224	21.2
177.12744	5.9
179.14336	4.3
181.12256	2.8
183.11697	4.0
184.07321	9.7
185.13303	2.2
187.11200	2.1
189.11249	5.4
193.12265	49.5
195.11887	1.8
195.13811	6.8
197.13307	2.0
210.20862	1.6
211.13300	67.3
212.13841	1.9
219.17613	2.7
227.12784	21.3
228.13162	2.1
229.19472	2.0
239.17911	3.3
247.20625	2.1
253.14505	2.3
255.15819	9.5
257.19086	9.3
267.15933	46.6
269.17514	28.1
273.18573	4.0
275.20096	43.9
283.15369	3.5
285.17001	57.9
291.19601	5.7
293.20944	2.9
331.22705	2.5
349.23770	50.1
350.24094	2.8
365.23221	2.2
367.24860	5.0
403.00607	1.7
421.25919	2.1
439.27060	2.0
447.27582	9.0
455.26575	4.0
461.29071	24.0
463.30661	5.8
465.28528	19.5
467.30991	2.2
477.28015	2.8
479.30072	92.3
480.30499	3.5
501.32239	2.4
519.33032	2.8
523.58636	1.7
541.35315	77.2
542.36169	2.4
559.36334	73.2
560.36395	3.8
577.37512	9.2
605.33063	2.5
623.34058	4.7
799.23145	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05515	11.5
56.57028	0.6
57.03444	10.9
57.07069	1.6
58.26773	0.8
61.02906	3.0
65.03923	2.6
67.05511	50.3
69.03402	1.7
69.07073	11.0
71.05010	3.2
71.05443	0.6
73.02913	1.1
79.05504	26.2
81.03435	4.1
81.07063	51.0
83.04975	5.9
83.08636	5.3
85.02911	3.6
85.05452	0.7
85.06556	4.4
86.09683	1.6
91.03938	1.0
91.05488	41.9
93.07051	31.1
95.04968	8.8
95.08615	27.8
97.02859	1.6
97.06521	3.5
97.10178	1.5
99.04435	1.3
99.08068	1.4
103.03922	1.2
103.05474	0.7
105.04464	0.8
105.07043	30.0
107.04921	1.6
107.07880	1.3
107.08604	30.0
109.06509	3.5
109.10165	40.2
111.08090	1.5
113.05980	2.5
115.07564	0.8
117.07016	7.1
119.08595	12.4
121.10155	11.9
123.08050	1.8
123.11723	8.9
125.09631	1.3
125.37540	0.7
127.07536	1.6
128.06195	2.1
129.06940	0.9
131.08585	7.9
133.10143	72.8
134.10446	1.0
135.08089	1.6
135.11685	7.6
137.09583	2.1
137.13284	1.5
143.08566	6.1
145.10141	5.5
147.11646	4.9
149.09642	0.8
149.13301	5.1
151.11194	33.7
157.10101	1.2
159.11720	3.4
159.97574	0.7
161.09634	16.0
161.13255	3.2
163.11201	0.9
163.14803	2.2
165.12631	0.7
169.12244	4.7
171.11662	0.8
173.13268	4.0
175.11269	0.8
175.14917	1.7
177.16411	1.1
179.10683	11.9
184.07423	3.5
187.14873	1.5
191.14362	0.8
193.12250	1.5
197.11766	4.9
199.89787	0.8
211.13263	0.7
215.12827	17.0
243.21143	4.3
253.14384	16.9
261.22147	15.0
267.15900	3.0
271.15421	8.6
277.21619	1.0
279.23367	1.0
285.17090	0.9
299.14954	6.1
301.20197	1.2
317.15967	100.0
317.24390	1.9
318.16296	1.4
335.25824	96.0
336.26111	3.2
353.27005	1.1
363.25174	1.3
437.24948	0.9
457.32977	1.4
513.35535	1.2
519.36523	1.0
527.37256	2.2
531.36743	5.4
545.38220	6.6
559.36511	1.0
577.37366	35.1
578.38348	1.2
595.38263	1.7
653.44995	0.8
774.43817	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05272	0.8
55.05515	11.5
57.03189	1.0
57.03441	10.4
57.07071	1.5
61.02921	2.3
65.03932	1.9
67.05508	50.0
69.03430	3.2
69.07069	9.8
70.60260	0.9
70.60591	1.4
71.04995	2.9
77.03904	0.6
79.05495	25.1
81.03426	2.2
81.07057	40.9
82.07378	0.8
83.04989	3.9
83.08624	5.6
83.74660	0.6
85.02902	2.5
85.06538	4.1
86.09704	0.9
91.03943	1.0
91.05482	35.9
93.07047	30.6
95.04969	6.8
95.08611	28.5
95.09062	0.4
95.23998	0.7
97.02922	1.2
97.06519	3.4
97.10171	1.9
98.09686	1.5
99.04488	1.0
101.42745	0.6
103.03938	1.3
105.04548	0.7
105.07039	22.7
107.04955	1.2
107.08598	25.0
109.06530	3.4
109.10161	32.0
111.08092	1.2
111.11722	0.7
113.06016	1.8
117.07012	6.7
119.08576	10.4
121.10146	11.3
123.08042	1.3
123.11697	5.7
124.99951	1.6
125.09564	0.7
127.07578	1.2
128.06210	1.2
129.07034	0.9
131.08557	6.5
133.10136	57.4
135.08060	0.9
135.11700	7.7
137.09653	2.7
141.71980	0.7
143.08592	4.4
143.09521	0.8
145.10141	3.4
147.11684	4.4
149.13268	4.4
151.09964	1.5
151.11188	26.5
159.11722	3.2
161.09624	13.2
161.13251	2.3
163.14864	1.6
169.12225	4.0
173.13254	1.9
175.14818	0.9
177.16402	0.9
179.10661	10.3
184.07350	3.0
187.14835	1.4
190.57394	0.6
197.11763	2.3
207.07051	0.6
215.12804	13.6
243.21100	3.3
253.14352	14.1
261.13214	0.8
261.22134	14.4
267.15942	1.7
271.15430	6.1
299.14828	4.4
317.15952	55.6
317.24472	1.9
318.16425	0.8
335.25812	100.0
336.26187	2.8
363.25354	1.4
372.01334	0.6
457.33133	0.8
504.97571	0.7
513.35883	1.1
519.36237	0.9
527.37494	0.8
531.36859	5.6
536.64160	0.6
542.26202	0.6
545.38251	1.5
559.36597	1.3
577.37347	40.5
578.38177	1.5
595.38916	1.4
602.47833	2.2
774.49396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05514	16.0
57.03440	17.3
57.35430	1.2
62.94960	1.0
65.03931	2.3
67.05508	52.9
69.03423	2.5
69.07076	13.1
70.24302	2.5
70.24697	2.4
71.04999	2.1
79.05497	39.1
81.03421	78.2
81.07059	52.1
83.04991	5.9
83.08617	20.9
85.02887	2.8
85.06541	3.1
91.05483	33.4
93.06480	2.3
93.07050	40.6
95.04971	22.2
95.08610	42.2
97.02885	3.7
97.06528	5.3
97.10176	6.2
105.07033	23.5
107.04958	5.4
107.08585	22.7
109.06524	5.0
109.10159	17.3
111.08089	8.0
113.85636	1.4
117.07031	6.7
119.08590	20.3
121.06509	2.6
121.10144	20.8
123.08089	3.1
123.11720	5.5
125.09634	5.0
129.06990	10.3
131.08569	18.5
133.06500	3.1
133.10135	12.8
135.08014	2.2
135.11708	13.2
137.09575	1.2
137.13206	2.6
142.07759	1.3
143.08533	3.0
145.10117	9.5
147.08075	3.2
147.11676	14.6
149.09610	5.4
149.13263	5.7
155.08620	1.1
157.10147	11.6
159.11684	6.9
161.13263	5.4
163.11203	3.5
163.14803	3.7
165.12749	2.4
171.11700	2.4
173.13287	5.4
175.11191	10.1
175.14870	2.7
185.13283	2.6
187.14854	3.3
189.11195	4.3
193.10614	2.2
193.12263	21.3
197.13281	1.8
201.16364	2.0
211.13278	2.0
227.12747	7.0
235.13361	1.6
243.21126	4.1
249.14828	1.7
261.22153	15.7
267.15924	100.0
268.16348	1.6
301.14539	1.8
301.25223	6.6
309.17099	1.8
317.24857	2.9
333.24371	1.3
335.25815	71.9
407.24158	1.5
417.31802	1.5
421.25732	2.8
435.27448	2.6
435.32626	6.0
453.33542	7.6
471.34659	4.1
509.36481	2.1
527.37347	63.7
528.37140	1.5
545.38434	62.4
546.38745	2.4
559.39551	2.7
569.38019	3.8
577.40607	1.3
635.40106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.4
55.05273	1.3
55.05514	17.7
57.03190	1.2
57.03440	15.2
57.07069	1.8
61.02922	1.3
65.03931	3.0
67.05508	61.9
69.03419	3.2
69.07069	14.0
69.86894	4.5
71.04976	3.6
73.02908	1.2
77.03893	1.0
79.05494	38.4
81.03419	86.6
81.07059	57.0
83.04979	6.2
83.08154	1.3
83.08625	21.9
85.02898	1.5
85.06525	2.5
86.64594	0.9
91.05485	32.3
93.07049	44.1
95.04975	27.5
95.08610	43.6
97.02877	2.0
97.06527	4.0
97.10184	6.2
97.82497	0.9
98.21464	1.1
99.08075	1.1
103.05458	1.1
105.04515	1.4
105.07039	27.1
107.04974	6.1
107.08595	24.9
109.06518	4.7
109.09476	1.5
109.10161	21.1
111.04441	1.6
111.08100	6.1
115.05473	1.3
117.07018	7.0
119.08588	20.7
121.06509	3.1
121.09326	1.7
121.10148	21.7
122.25481	0.9
123.04439	2.5
123.08047	2.5
123.11700	7.5
125.09626	3.4
129.07021	10.8
131.08572	18.1
133.06488	3.6
133.09230	1.5
133.10144	13.7
135.08026	2.2
135.11693	15.7
137.09579	2.0
137.13240	2.5
142.07745	1.2
143.08546	2.3
145.10127	10.6
147.04507	1.0
147.08040	4.5
147.11678	13.5
149.09599	3.9
149.13263	6.7
153.09157	0.9
155.08516	1.6
157.10130	11.4
159.11682	5.4
161.09604	0.9
161.13252	5.0
163.11198	2.7
163.14813	3.3
165.12694	1.7
169.10081	1.2
171.11673	1.7
173.11920	0.8
173.13245	4.8
175.11214	8.7
175.14821	2.7
177.16347	1.3
179.34700	0.9
185.13271	1.7
187.14844	3.6
189.11237	3.8
189.16310	1.2
190.88150	1.0
191.14330	1.7
193.12256	21.0
197.13281	1.7
201.16458	0.9
211.13242	1.9
220.21321	0.9
227.12851	6.4
235.13350	1.7
239.45122	1.0
243.21130	4.8
249.14810	1.2
261.22177	19.2
267.15924	100.0
268.16330	1.0
279.23260	1.7
281.21204	1.2
301.14322	2.1
301.25259	6.7
309.16910	2.8
317.24796	3.4
321.16772	0.9
333.24237	1.0
335.25806	86.9
336.26215	1.3
403.24615	1.1
417.26401	1.3
421.25577	2.1
435.27356	2.1
435.32587	5.7
453.33752	7.0
471.34543	4.1
473.33698	1.2
473.84610	1.1
509.36035	1.4
527.37341	72.7
528.37762	1.6
545.38385	56.5
546.38696	1.8
559.39929	1.7
569.38513	4.4
623.39471	2.4
635.39478	2.0
671.40076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05243	0.9
55.05510	20.2
57.03441	10.8
57.07064	3.7
59.04988	1.7
60.08150	1.4
61.02917	3.6
65.03938	2.8
67.05505	73.9
69.03424	3.5
69.07067	21.7
69.84624	3.0
69.85039	2.7
71.04994	34.5
73.02916	1.8
75.82442	1.0
77.03956	1.7
79.05495	47.0
81.03425	6.0
81.07056	100.0
83.04996	5.0
83.08619	11.4
85.02911	4.0
85.06546	9.6
86.09695	4.6
91.05482	67.1
93.07043	54.5
95.04980	6.3
95.08607	34.4
97.02876	1.4
97.06527	9.7
97.10169	4.9
99.08092	2.1
104.06327	1.1
105.04514	1.3
105.07032	57.5
107.07873	2.3
107.08596	34.7
109.06534	3.6
109.10155	15.7
111.08074	4.8
115.05441	2.1
117.07013	18.7
119.08585	41.2
120.59811	0.9
121.06527	1.6
121.10139	20.9
121.99132	1.1
123.08057	2.6
123.11697	13.9
125.00031	2.9
125.09667	7.5
128.06256	1.3
129.05501	1.8
129.07008	10.4
130.07784	1.3
131.08569	27.7
133.10130	45.5
135.08064	2.5
135.11702	16.3
139.07463	1.4
139.11169	2.1
141.07022	1.7
142.07779	1.7
143.08562	11.7
145.10132	20.7
147.08009	1.7
147.11691	25.9
149.09616	2.8
149.13263	10.9
151.11165	8.8
153.12766	2.2
155.08580	4.8
157.10089	10.8
159.08026	1.3
159.11691	24.7
161.09647	1.9
161.13240	13.0
163.11206	1.8
163.14816	1.5
165.12732	1.6
167.08522	1.8
169.10133	5.1
169.12248	1.3
171.11707	12.3
173.04466	2.5
173.13266	11.4
175.11247	2.2
175.14825	4.1
177.12775	3.4
181.10152	1.5
183.11732	6.0
183.13808	4.2
184.07339	14.8
185.13187	9.3
187.13275	3.9
187.14841	3.8
193.12234	1.5
195.11722	1.9
195.13843	2.9
197.13327	3.3
199.14819	4.5
201.14841	2.8
201.16481	1.3
203.14413	1.7
209.13115	1.2
211.14886	2.0
213.16481	1.6
217.15944	1.4
221.13145	1.2
223.14821	1.7
225.14804	1.2
231.21045	2.0
239.18011	1.8
241.19589	10.6
243.15965	4.1
257.17062	6.5
259.20596	30.8
261.22180	3.7
267.15952	3.7
269.17349	7.9
271.20795	1.5
273.22162	1.1
275.20108	1.6
285.22067	1.7
289.21741	2.2
297.21945	1.4
299.15082	2.3
299.18628	2.2
301.20096	26.1
313.21710	1.3
315.23120	7.0
317.16275	1.2
323.23489	1.0
333.24258	30.9
333.28223	2.0
335.25931	6.2
341.24579	1.6
361.86966	1.0
387.24371	1.0
393.27246	1.2
409.31070	6.1
427.32245	1.5
435.32666	5.6
445.24399	1.4
453.33511	2.3
483.34543	6.6
501.35760	87.0
503.37259	5.6
509.36459	5.8
515.37561	2.4
527.37341	60.9
528.37341	1.5
533.38672	8.4
541.35345	1.3
545.38434	12.7
559.40222	23.7
577.40253	2.0
671.40985	2.5
689.42358	1.8
703.43665	3.4
745.68054	1.3
774.41028	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05276	1.1
55.05514	16.7
57.03438	14.8
57.07068	1.9
65.03946	2.2
67.05508	55.0
69.03412	3.9
69.06729	1.2
69.07070	14.6
69.18121	5.7
69.18539	2.9
71.04974	2.6
76.04134	1.0
77.03987	1.1
79.05496	39.2
81.03420	74.3
81.07062	52.6
83.04990	4.3
83.08152	1.4
83.08620	21.0
85.02895	1.7
85.06544	2.7
91.05486	28.4
93.07045	41.5
95.04974	27.8
95.08610	40.4
97.02880	1.9
97.06511	3.5
97.10175	6.4
98.20713	1.7
99.08099	1.1
102.03340	1.1
105.07034	24.6
107.04948	6.1
107.08595	23.7
109.06520	5.1
109.10154	20.9
111.08079	7.5
117.07007	6.5
118.29913	0.9
119.08584	19.0
121.06493	3.5
121.10144	19.9
122.54762	0.9
123.04398	1.6
123.08067	3.0
123.11719	7.4
125.09637	4.5
129.07008	9.4
131.08588	14.7
133.06490	2.1
133.10135	15.0
135.08063	2.2
135.11699	11.9
137.09619	2.6
137.13243	1.6
142.07782	1.8
143.08531	1.8
145.10114	9.5
147.08037	3.1
147.11668	12.2
149.09612	4.3
149.13271	6.8
151.11154	1.3
155.08577	1.0
157.10126	11.9
159.11707	8.4
161.13269	5.5
163.11131	2.4
163.14772	2.3
165.12776	1.8
169.10133	1.0
171.11702	2.4
173.13272	5.4
175.11151	7.6
175.14822	1.8
177.16365	1.1
183.11751	1.0
185.13229	1.6
187.14810	3.5
189.11218	2.2
189.16414	1.2
191.14319	1.0
193.12263	20.6
211.13243	1.4
219.17500	1.0
227.12756	7.1
243.21153	6.8
247.16959	1.1
249.14900	2.1
261.22159	20.9
267.15927	95.7
279.23212	1.7
299.23767	1.4
301.25180	4.9
303.23224	1.2
309.16962	3.1
317.24829	3.1
335.25806	100.0
336.26093	1.7
421.25729	2.9
435.27295	1.7
435.32623	3.5
443.38513	1.1
453.33630	7.9
471.34683	2.6
475.30643	1.3
509.36584	2.0
526.64099	1.0
527.37372	65.2
528.37567	3.1
545.38397	62.1
546.38373	1.3
559.39771	2.3
569.38464	5.6
577.41095	1.6
611.38733	1.3
635.39539	1.0
653.40521	1.8
710.52332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05519	0.4
55.12436	0.2
56.05024	0.6
57.07080	0.4
58.06613	0.4
60.07893	0.2
60.08165	6.2
63.60783	0.2
67.05513	0.8
69.07069	0.6
69.50022	1.2
70.06603	0.2
70.99770	0.2
71.07381	3.4
73.04818	0.2
79.05490	0.5
81.07072	0.6
83.08608	0.4
85.10165	0.3
86.09710	30.5
91.05482	0.4
93.07031	0.5
95.08605	0.6
97.10146	0.3
98.20756	0.4
98.98472	3.1
104.10751	1.8
105.07049	0.4
107.04987	0.2
107.08626	0.3
109.10197	0.3
125.00008	19.6
131.08600	0.2
133.10081	0.4
169.40277	0.2
184.07347	100.0
185.07674	0.5
293.14886	0.2
308.29514	0.3
393.04663	0.2
602.44318	0.7
603.45984	0.6
756.55316	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	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
55.05515	18.2
57.03441	8.7
59.04994	3.4
60.08156	4.8
61.02914	3.4
65.03931	2.2
67.05507	100.0
69.03420	7.0
69.06731	2.1
69.07069	27.3
70.64375	3.0
70.64717	2.2
71.04993	31.9
73.02925	1.6
79.05074	2.9
79.05497	39.0
80.05814	1.8
81.03418	11.4
81.07063	54.5
83.04969	8.7
83.08617	10.7
84.18589	1.5
85.02896	6.1
85.06539	4.9
86.09706	27.7
87.55036	1.5
89.37596	1.5
91.05483	40.9
93.07042	45.1
94.07394	2.1
95.04967	8.3
95.08058	2.6
95.08610	30.1
97.02892	4.0
97.06544	13.5
97.10161	7.2
98.98457	2.6
99.08078	2.4
103.05450	1.6
104.10731	2.9
105.07028	23.6
107.04942	4.9
107.08604	35.7
109.06518	4.6
109.10157	50.1
111.04457	1.7
111.08090	5.4
117.07018	14.0
119.08591	25.9
121.06567	1.9
121.10153	15.6
123.08021	1.9
123.11695	3.6
125.00011	19.9
125.09621	9.3
127.03941	2.5
129.07008	5.4
131.08575	10.6
133.10126	23.3
135.08047	3.5
135.11684	19.3
137.09618	12.1
139.11191	1.7
143.08574	4.5
145.10100	14.7
147.11617	8.5
149.09615	8.6
149.13257	4.9
149.79385	1.5
151.11188	4.0
155.08577	3.8
155.10693	3.5
157.10127	6.1
159.11685	6.6
161.13266	5.1
163.11180	6.6
169.10007	2.1
171.11731	3.0
173.11740	7.0
173.13213	4.0
177.12779	1.7
179.14288	4.6
181.12199	4.4
183.11763	2.8
184.07347	87.8
187.13248	2.2
189.11148	3.3
193.12158	2.4
195.13855	3.5
211.13272	4.4
219.76776	1.6
227.12769	14.5
229.14395	4.0
239.18021	1.8
243.15932	4.8
247.20638	2.1
255.15941	8.3
257.19003	5.2
267.15854	5.5
269.17328	7.9
275.20099	18.8
277.21985	2.1
287.18509	21.8
291.19397	2.9
293.21155	2.0
331.22559	1.9
333.24515	2.1
349.23618	17.8
351.25409	1.7
393.27466	1.9
407.28052	2.2
409.25803	6.0
413.25720	3.4
423.27448	19.4
435.27350	17.5
437.29028	5.5
449.28918	17.3
463.30447	3.8
467.29904	4.7
481.25211	1.9
481.31659	32.6
485.32419	5.0
503.33691	41.0
517.35284	3.1
529.35278	20.5
535.35431	3.2
543.28717	1.9
543.36292	7.9
547.35382	2.4
561.37903	23.5
567.31415	2.3
579.38470	4.3
593.32727	4.4
726.43524	16.2
777.39813	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05518	18.0
57.03443	10.0
57.07071	2.4
58.68587	1.3
59.04998	3.1
60.08160	3.5
61.02928	3.1
65.03928	3.6
67.05509	100.0
69.03439	6.3
69.06734	1.9
69.07075	26.7
69.46019	1.2
70.34382	3.7
71.05000	34.6
71.07378	1.9
73.02912	1.7
79.05495	45.9
81.03429	10.9
81.06595	3.1
81.07063	60.3
83.04985	12.2
83.08628	13.4
85.02905	4.9
85.06550	3.6
86.09709	17.9
91.05489	41.2
93.07049	57.2
95.04963	10.3
95.08608	29.4
97.02885	3.7
97.06545	14.5
97.10201	6.4
97.10732	1.3
98.97591	1.8
98.98479	2.1
99.04452	2.3
99.08107	1.7
104.10719	2.1
105.07039	20.3
107.04952	4.5
107.08600	30.8
109.02897	1.8
109.06529	6.2
109.10163	62.4
111.08057	4.7
117.07019	11.7
118.06573	2.9
119.08589	28.1
121.06506	5.2
121.10149	17.9
123.08091	3.1
123.11700	4.2
125.00025	11.4
125.09639	4.1
127.03916	2.0
129.07010	4.4
131.08582	14.6
133.10133	18.5
135.08049	4.9
135.11693	23.3
135.12669	0.8
137.09622	13.3
139.11163	1.4
141.30356	1.6
143.08562	3.5
145.10109	10.5
147.08034	1.5
147.11691	8.2
149.09619	7.4
149.13264	7.6
151.11165	2.8
155.08601	2.4
155.10631	5.1
157.10118	5.2
158.99753	2.2
159.11678	11.2
161.09604	2.0
161.13211	3.0
163.11176	8.2
165.12811	2.8
169.10114	2.8
169.12276	2.8
171.11671	2.2
173.04475	2.9
173.11736	5.7
173.13211	3.1
175.11221	1.9
177.12781	3.6
181.12238	4.9
183.11682	2.3
184.07359	51.6
185.13380	1.7
189.11261	1.3
195.13820	4.7
197.13228	2.6
211.13321	3.3
227.12753	1.7
229.14362	4.8
230.15366	6.0
239.18150	1.5
243.15820	3.5
253.14366	2.4
255.15947	10.9
256.75629	1.4
257.19080	3.1
267.15875	6.1
269.17450	11.2
275.20074	13.9
285.17072	1.9
287.18564	25.4
293.21075	1.9
304.18939	1.4
321.05045	2.5
327.92065	1.4
329.53812	1.4
349.23804	9.1
367.24860	2.3
367.39825	1.5
405.26190	2.6
409.25772	7.4
423.27469	36.3
428.87247	1.5
431.28189	2.1
435.27362	23.4
437.28937	5.9
438.22491	1.7
449.29053	30.2
450.28989	1.6
463.30585	3.3
467.29922	5.1
469.32245	1.3
479.30219	2.1
481.31650	49.3
481.38599	2.5
485.32257	1.7
503.33685	25.7
517.35229	3.2
521.34790	2.0
529.35651	10.0
543.36780	8.4
547.35266	1.4
561.37744	13.8
567.31311	3.9
579.38940	3.3
593.33099	3.7
596.38934	3.6
614.40161	2.2
625.35852	1.8
726.42773	6.1
776.42920	2.6
777.40332	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
55.05512	41.7
57.03160	1.0
57.03439	17.4
57.07068	2.4
59.05003	4.2
61.02921	3.6
61.37545	0.9
65.01728	0.8
65.03939	3.7
67.05506	100.0
67.59430	0.7
69.03426	3.8
69.07071	18.8
70.38934	0.7
70.85720	0.7
71.01362	2.0
71.05005	5.1
73.02927	1.2
75.76613	0.7
79.05494	43.5
81.03421	6.9
81.07056	60.8
83.04970	5.1
83.08620	16.5
85.02909	14.7
85.06544	3.1
86.09703	1.4
87.04467	6.3
91.03949	1.9
91.05477	26.6
91.06019	1.6
93.07046	43.0
93.07632	2.1
94.07397	1.3
95.04975	5.1
95.08606	41.7
97.02886	5.0
97.06532	4.9
97.10166	22.2
98.21632	1.3
99.04456	0.9
99.08128	1.7
101.06052	0.7
103.03956	2.0
105.04517	1.4
105.07034	16.6
107.04967	2.3
107.08597	29.3
109.02841	0.8
109.06525	1.6
109.10157	53.8
111.04477	0.9
111.08079	4.6
115.05536	0.9
117.07013	6.6
119.08585	17.1
121.06549	1.3
121.09320	1.7
121.10148	20.0
123.08064	2.9
123.11722	6.0
125.09630	21.8
129.07022	1.9
130.46567	0.9
131.08572	11.4
133.10141	9.2
135.08051	1.1
135.11700	12.0
137.09624	3.1
137.13264	1.8
139.11160	2.0
143.08617	1.7
143.10678	3.6
145.10112	10.9
147.08078	1.1
147.11693	7.0
149.09599	2.6
149.13272	6.9
149.14314	1.0
151.11203	1.0
153.12718	2.0
155.08607	1.2
155.10658	5.2
157.10152	3.4
159.11696	6.2
161.13271	5.2
163.11150	5.7
163.14841	2.2
165.12840	1.0
169.10190	1.7
171.11710	1.9
173.11749	12.8
173.13289	6.7
175.11197	1.3
175.14848	2.1
177.16476	1.5
181.12305	1.2
183.11562	1.0
184.07333	5.5
185.13248	1.7
187.14813	2.4
189.11252	1.2
191.10620	1.9
193.12265	2.8
197.13316	1.3
199.03822	0.8
199.13284	13.1
199.14908	1.2
209.11728	3.7
211.13235	2.0
217.14319	1.6
227.12773	8.3
229.14355	49.7
230.14861	1.1
241.19740	0.9
243.21104	4.1
245.13853	2.2
247.06267	0.8
257.13818	1.5
259.20599	1.4
261.22159	16.6
262.22214	0.9
267.15860	5.8
271.20660	1.2
277.21631	1.8
283.15421	1.2
285.17117	0.8
289.21667	1.5
301.16461	18.4
315.23279	1.3
317.24710	2.8
335.25803	84.7
336.26236	2.5
351.25262	1.1
363.25168	2.4
433.29886	1.0
451.32208	1.8
459.35031	1.4
469.32755	1.2
477.35791	12.0
489.35776	18.4
507.36700	1.3
515.37366	1.0
525.35956	1.3
543.36914	3.8
561.37781	10.8
579.38330	2.9
738.33893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
55.05519	21.9
57.03445	18.6
57.07083	5.8
61.02920	2.2
65.03945	2.5
67.05515	66.0
69.03416	2.1
69.07079	24.0
71.04990	4.8
71.08635	4.0
71.52767	2.1
79.05499	27.3
81.03429	75.4
81.07066	72.0
83.04990	7.8
83.08631	34.5
85.06535	3.1
86.09718	2.5
91.05492	24.6
93.07053	30.1
95.04969	23.2
95.08621	49.4
95.09249	2.5
96.02290	1.6
97.02879	2.7
97.06551	5.1
97.10171	8.4
99.08141	3.1
104.41125	1.5
104.45495	1.6
105.07034	19.7
107.04971	6.9
107.08607	19.0
109.06551	3.8
109.10166	21.5
111.08099	7.1
111.11758	2.2
117.07024	4.4
119.08602	20.1
121.06507	4.1
121.10158	15.9
123.08108	3.2
123.11729	10.5
124.99991	1.7
129.07004	11.2
131.08575	12.0
133.06535	4.1
133.10153	17.2
135.11719	6.4
137.13275	2.3
142.07777	2.0
143.08569	2.0
145.10133	4.1
147.08081	2.2
147.11748	12.7
149.09644	6.2
149.13293	3.8
151.11172	2.0
157.10138	11.6
159.11665	3.3
161.05951	1.5
161.13327	4.8
163.14809	1.8
165.12727	3.0
171.11749	2.3
175.11153	8.8
184.07373	9.3
193.12267	24.8
215.47032	1.9
224.93617	1.6
227.12698	4.1
245.22798	2.7
249.14911	5.0
263.23709	4.8
267.15958	100.0
303.26917	1.8
309.17111	2.3
313.27271	2.7
335.25781	4.7
337.27417	92.2
342.33157	1.7
435.27512	2.0
455.35245	5.9
503.37387	7.6
513.74329	2.0
529.38928	86.7
530.39282	3.3
547.40002	54.2
561.41687	16.6
571.39929	4.2
579.37329	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	777.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05516	2.2
57.03436	1.9
61.02932	4.1
67.05508	5.4
67.75064	0.4
69.03439	2.9
69.07076	2.8
71.04995	1.3
71.52634	0.8
73.02917	3.2
79.05507	4.0
81.03433	4.4
81.07063	4.5
83.04987	0.8
83.08627	2.3
85.02914	5.3
86.09734	1.4
91.03970	1.9
91.05490	4.2
93.07050	3.8
94.07389	0.6
95.04957	2.2
95.08612	1.9
97.02906	4.6
97.06553	0.8
97.10157	1.0
101.02409	1.7
105.07037	3.3
107.04953	0.9
107.08627	2.6
109.06548	0.8
109.10193	1.3
111.08088	0.9
112.92786	0.4
117.07066	0.8
119.08583	2.2
121.10185	1.6
123.08112	0.6
125.00025	0.9
125.09639	0.7
127.03944	1.1
129.07040	0.9
131.08595	1.2
133.10159	2.0
135.07990	0.6
135.11691	1.0
143.08594	0.5
145.10144	1.0
147.08095	0.7
147.11702	1.4
149.09633	0.7
157.10136	1.0
159.11665	0.5
163.11188	0.7
164.06230	0.5
165.12828	0.5
174.79533	0.5
175.11258	1.3
179.14267	0.5
179.56256	0.5
184.07324	4.6
185.07803	0.6
193.12297	1.9
211.13387	1.2
223.13362	1.0
232.36722	0.4
243.08452	3.6
250.20366	0.5
251.12556	2.6
291.19696	1.2
307.15326	1.1
331.18939	1.4
387.21695	0.7
469.20380	9.2
485.20386	0.8
544.37225	0.6
549.26721	3.9
550.27356	0.5
759.38831	1.6
777.40247	100.0
778.40381	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	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.05522	2.9
57.01950	0.9
57.03446	2.2
61.02934	4.9
67.05502	8.5
69.03434	4.3
69.07069	3.6
69.37675	6.0
69.38081	1.6
71.05026	1.0
73.02924	2.2
73.77451	1.1
79.05497	6.8
81.03426	3.1
81.07053	8.6
83.08638	2.0
85.02923	3.0
86.09711	2.7
91.03972	1.5
91.05480	6.3
93.07047	8.0
95.04985	2.3
95.08609	5.1
97.02913	4.4
97.06527	1.9
99.04491	1.9
101.02335	1.4
104.60056	1.0
105.07050	3.5
107.08590	5.0
109.02873	1.1
109.10167	2.4
117.07044	2.8
119.08611	3.2
121.10188	3.6
127.03884	1.2
131.08549	2.6
133.10165	3.2
134.10280	1.0
135.11722	5.4
137.09636	1.1
145.10147	4.1
147.11716	2.0
149.09702	1.2
149.26816	1.0
159.11694	1.6
163.11243	4.3
184.07353	4.5
224.70615	0.9
225.23785	1.1
227.12845	3.5
236.18315	0.9
243.08524	3.9
249.11067	7.4
275.39276	0.9
305.13702	3.2
439.19675	1.9
453.20670	1.5
467.18893	14.3
469.20682	1.2
482.31537	1.2
517.28369	1.0
551.28485	5.6
615.36920	1.1
777.40308	100.0
778.40851	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	778.5381
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05500	0.2
56.05035	0.8
58.06363	0.2
58.06639	0.4
60.08165	6.7
67.05497	0.4
69.07069	0.2
70.06604	0.8
71.07374	3.8
71.16692	0.2
71.17027	0.2
79.05474	0.3
81.07052	0.4
84.08146	0.2
86.09708	33.0
87.10027	0.1
90.76001	0.1
91.05504	0.2
93.07046	0.3
95.08604	0.2
98.98465	3.4
104.10745	2.3
116.07089	1.3
119.08571	0.2
125.00008	22.6
130.08635	0.3
135.30223	0.1
166.02669	0.3
184.07344	100.0
185.07651	0.4
424.10791	0.1
518.32141	0.1
561.87128	0.2
606.49048	0.2
778.53894	3.0
779.54016	0.2
781.45313	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	779.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.5
69.05589	1.0
73.18996	1.1
79.04366	1.1
79.05482	1.4
81.56097	1.1
86.09722	2.9
98.21569	3.3
160.27554	1.0
162.26614	1.1
184.07353	9.5
251.42754	1.2
358.99451	1.1
450.07272	1.2
592.17883	1.3
645.39838	1.2
779.43414	100.0
780.43695	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.05510	1.2
57.03447	1.5
59.05003	0.4
59.58031	0.2
61.02931	5.5
67.05508	4.4
69.03431	3.6
69.07064	1.4
69.87568	1.4
71.01366	0.5
71.05005	1.1
73.02924	3.3
79.05492	3.4
81.03427	3.0
81.07066	5.2
83.01363	0.3
83.04951	0.3
83.08632	0.8
85.02915	5.6
85.03440	0.3
85.06558	0.3
86.09720	0.6
87.04480	0.4
91.03959	3.2
91.05479	3.0
93.07045	3.6
95.04980	0.9
95.08614	3.7
97.02901	4.8
97.06528	0.4
97.10149	0.3
99.04478	1.0
101.02377	1.6
103.03970	0.3
105.07034	2.0
107.04963	0.4
107.08625	1.7
109.02885	1.1
109.06496	0.4
109.10186	1.4
111.08094	0.4
119.08563	1.3
121.10150	2.5
123.11731	0.5
125.00005	0.5
127.03926	1.3
129.07001	0.6
131.08574	1.5
133.10130	0.8
135.11720	0.7
145.04967	0.5
145.10118	0.5
147.11729	1.1
149.09645	1.2
157.10124	0.5
159.11722	0.3
173.13240	0.5
175.11217	0.4
184.07370	2.3
185.04272	0.8
185.07797	0.3
193.12273	0.9
203.05362	0.6
225.14908	0.4
225.87378	0.3
233.11630	0.4
243.08444	2.2
267.15918	0.6
283.15176	5.0
283.18140	0.5
335.25946	0.8
338.27893	0.3
339.17798	0.5
469.21307	0.3
501.23050	7.6
519.29266	7.5
592.52820	0.3
599.39984	0.3
635.05090	0.3
779.45508	100.0
780.45758	4.0
781.86554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.8
57.59631	0.1
58.06626	0.6
59.07382	0.1
60.08167	6.9
60.41269	0.1
67.05495	0.3
70.06592	0.1
70.76586	0.1
70.76923	0.2
71.07376	4.1
74.28732	0.1
79.05490	0.2
80.97460	0.1
81.07069	0.3
86.09708	34.3
87.10019	0.1
95.08604	0.2
98.98468	3.8
104.10753	2.3
125.00010	23.9
143.01051	0.1
166.02643	0.2
184.07346	100.0
185.07701	0.6
253.54671	0.1
332.52924	0.1
358.68121	0.1
388.15506	0.1
435.37912	0.1
519.97192	0.1
520.34222	0.1
540.59753	0.1
780.55389	3.4
781.56232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.0
55.05516	22.5
57.03445	7.9
59.05004	1.0
61.02917	4.5
65.03944	1.7
67.05509	30.8
67.09920	1.0
69.03432	16.7
69.07082	7.0
71.01367	1.1
71.04991	5.5
71.52213	1.1
73.02924	2.6
75.50189	1.0
79.03663	1.0
79.05505	27.5
81.03429	27.6
81.07069	21.1
83.05001	6.8
83.08627	14.3
85.02917	13.7
85.06570	1.2
86.09682	1.3
91.03965	3.5
91.05494	21.2
91.06030	2.0
92.00439	1.1
93.07055	15.6
95.04969	6.1
95.08632	7.8
97.02915	15.3
97.06534	3.0
97.10181	21.5
99.04475	3.7
101.02367	1.3
103.05478	5.7
105.07051	16.8
107.04986	4.5
107.08616	15.3
109.02896	5.3
109.06532	2.2
109.10157	7.9
111.04453	3.0
111.08069	1.9
115.05475	4.0
117.07034	21.7
119.04946	1.6
119.08599	8.5
121.06510	4.1
121.10174	4.2
123.08092	2.1
125.09660	16.8
127.03944	8.0
128.06242	3.3
129.05534	1.9
129.07021	13.3
131.04974	2.5
131.08574	19.0
133.06508	4.6
133.10170	5.3
135.04427	1.3
135.08052	6.4
135.11685	2.3
137.09612	1.5
141.07007	6.3
143.08553	10.7
145.04996	1.3
145.06496	7.6
145.10153	8.0
147.04424	1.1
147.08046	2.4
147.11691	2.6
149.06055	1.3
149.09634	3.9
149.13255	1.1
153.07027	2.2
153.09143	1.7
154.07773	1.6
155.08607	7.9
157.06538	3.7
157.10127	6.1
159.08098	3.8
159.11728	3.5
161.09625	2.2
163.11162	1.9
165.06958	2.5
167.08604	4.2
168.09373	1.6
169.06490	1.6
169.10138	7.1
171.08061	4.6
171.10234	2.1
171.11726	6.2
172.01825	1.3
173.04483	24.7
173.05869	2.2
173.09662	1.9
173.11754	1.3
173.13216	1.2
175.07550	1.5
175.11229	1.5
177.12752	2.0
179.08559	2.0
181.10146	3.7
183.08107	2.6
183.11716	3.9
184.07442	2.7
185.09637	2.5
185.13313	3.1
187.11186	1.2
187.14752	5.3
189.11266	8.5
189.12721	2.3
193.10191	2.7
193.12079	1.2
195.11726	4.0
195.13686	1.1
197.09633	2.3
197.13280	7.5
199.11206	3.9
201.12779	1.4
207.11836	1.7
207.13815	1.1
209.09767	1.2
209.13354	1.8
211.11075	1.6
213.12798	4.6
215.14340	22.5
219.11707	2.4
223.11243	2.3
223.14740	1.8
225.12721	1.9
227.12712	13.5
229.14526	1.4
231.13728	1.3
233.13316	1.4
233.15425	2.6
237.12784	2.2
245.13791	1.4
255.13808	1.9
269.15204	2.1
269.17664	1.8
271.16959	1.2
276.27579	1.1
282.44357	1.2
289.18066	1.4
303.15857	1.1
321.22177	1.7
331.20642	2.0
339.23257	4.8
349.21661	9.8
367.22699	17.5
379.71048	1.4
385.23767	14.6
403.24765	4.7
423.25635	1.5
424.28122	1.4
431.27994	2.3
441.26434	47.2
442.26431	2.1
459.27469	100.0
460.27747	2.0
475.25952	1.5
477.28479	9.4
501.28162	1.7
525.28845	1.4
539.30011	2.2
567.29352	1.7
585.30273	2.1
603.31781	8.5
621.32605	19.1
765.37115	1.6
772.85785	1.2
783.37976	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	785.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05515	9.7
57.03440	4.8
59.79095	0.6
61.02931	19.0
65.03940	0.8
66.29845	0.6
67.05511	21.3
67.05877	1.1
69.03438	5.2
69.07075	7.7
70.96683	1.3
71.01351	0.7
71.04993	2.4
73.02925	6.3
73.06583	0.7
79.05500	18.8
81.03432	4.5
81.06593	1.0
81.07065	20.9
83.04971	3.0
83.08627	6.3
85.02914	21.0
85.06528	1.5
91.03968	12.7
91.05489	26.1
93.06483	1.0
93.07053	16.8
95.04989	4.0
95.08618	11.9
97.02900	10.4
97.06560	3.1
97.10177	2.4
99.04449	1.6
99.08100	1.4
103.05507	0.8
105.04536	0.7
105.07040	19.2
107.04955	3.8
107.08615	6.6
109.02884	1.0
109.06529	2.8
109.10165	6.1
111.08099	2.3
115.03931	0.9
115.05470	2.6
117.07027	15.6
119.04987	1.6
119.08594	12.1
121.06503	3.9
121.10158	5.9
123.08098	2.2
125.09655	1.1
127.03915	4.9
128.06256	3.4
129.07025	20.5
130.07817	0.8
131.04947	1.5
131.07600	1.1
131.08577	23.0
133.06503	2.8
133.10152	7.4
135.08066	2.9
135.11684	2.4
137.09633	1.6
139.11140	0.9
141.06987	8.1
142.07797	1.9
143.08577	17.7
145.05005	5.1
145.06503	5.5
145.10156	10.8
147.08061	3.9
147.11710	2.5
149.09625	3.4
149.13306	0.9
151.11162	0.7
153.07037	2.4
154.07788	1.6
155.08559	13.8
156.09238	0.7
157.06540	1.7
157.08763	0.9
157.10132	9.3
159.08049	2.7
159.11678	6.4
161.05843	0.8
161.09650	2.2
161.13228	0.9
163.06027	2.2
163.11208	0.9
164.85428	0.7
165.07005	2.3
166.07773	1.3
167.08577	5.9
168.09393	1.0
169.10144	8.8
171.08052	2.1
171.11719	6.9
173.09656	2.0
173.13248	1.8
175.11197	2.3
177.12747	2.0
179.08609	1.9
180.09291	1.0
181.10135	6.6
183.08119	0.7
183.11691	6.2
185.09694	2.3
185.13284	4.3
187.11220	2.2
187.14879	1.5
189.12799	1.3
193.10159	1.8
195.11742	6.2
197.09698	0.8
197.13312	4.7
199.11183	1.9
199.14845	2.9
199.39252	0.7
201.12703	1.5
203.14426	1.0
205.10204	1.3
207.11752	3.4
209.13272	4.4
211.11255	1.4
211.14827	2.9
213.12743	2.8
213.16348	1.1
215.14365	2.4
219.11745	1.1
221.13248	5.3
223.14874	4.2
225.12822	2.1
225.16393	0.9
229.16093	1.0
231.13864	1.0
231.17374	1.0
233.13182	1.2
235.14958	3.4
235.16953	1.0
237.12633	0.8
237.16367	1.2
239.14255	3.7
241.15971	1.2
245.15474	0.8
249.16595	1.1
253.16005	3.3
257.15442	2.4
259.17038	0.8
267.17523	1.3
271.17191	3.1
275.16312	1.0
305.22723	1.1
315.21323	1.4
323.23666	2.8
333.22208	6.8
341.24869	4.0
351.23221	19.1
359.26059	0.9
369.24286	19.6
387.25351	11.3
405.84647	0.6
407.25970	1.5
425.26849	7.0
433.29657	1.3
443.27972	100.0
444.28259	2.7
461.29028	66.3
462.29565	1.9
485.28683	1.7
503.30124	1.9
551.29993	1.8
569.31488	1.8
587.32587	2.0
605.32782	3.3
615.20459	0.7
623.34271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05512	7.4
57.03448	4.5
57.07063	0.5
58.64198	0.6
59.05015	0.7
61.02930	19.6
63.12164	0.7
65.03932	1.4
67.05507	21.7
69.03433	4.9
69.04852	0.5
69.07076	8.8
69.87494	2.9
71.01337	0.8
71.04987	2.1
73.02922	4.9
77.43541	0.6
79.05499	20.0
81.03422	6.0
81.07061	21.3
82.86096	0.7
83.04978	2.4
83.08627	5.9
85.02905	22.7
85.06548	1.8
87.04479	0.9
91.03961	10.8
91.05483	23.8
93.07047	17.7
95.04974	5.4
95.08614	12.6
97.02896	11.4
97.06524	3.8
97.10162	3.2
98.20846	1.1
99.04436	1.5
103.05485	1.5
105.07033	18.3
107.02667	0.6
107.04955	3.5
107.08603	7.9
108.32156	0.6
109.02901	1.8
109.06503	3.8
109.10177	5.1
111.04517	0.7
111.08081	1.8
113.09672	0.6
115.03930	0.8
115.05473	2.1
117.07018	13.9
119.08577	10.6
121.06519	3.9
121.10160	6.0
123.08068	2.6
123.11717	1.1
125.09635	1.3
127.03917	4.8
128.06256	3.3
129.05502	0.9
129.07018	17.1
131.04942	1.5
131.08557	20.6
133.06506	4.3
133.10130	8.3
135.04453	0.8
135.08043	2.5
135.11697	2.9
137.09598	1.9
141.06992	9.0
142.07796	1.4
143.08559	14.7
144.09406	0.6
145.04999	3.6
145.06485	4.3
145.10132	11.0
147.04459	1.1
147.08055	3.5
147.11699	2.9
149.09636	3.2
149.13281	1.4
153.07013	1.2
154.07750	1.6
155.08559	11.8
157.06525	1.5
157.10152	9.0
159.08076	3.3
159.11696	7.6
161.09627	2.7
161.13306	1.4
163.06039	2.8
163.11194	2.0
165.07054	1.3
165.09087	0.9
165.12962	0.6
166.07805	0.7
167.08568	5.9
168.09372	1.2
169.10143	9.4
171.08063	2.1
171.11696	7.0
173.09642	1.8
173.13281	1.5
175.11203	2.1
177.12747	2.3
179.08524	3.8
180.09383	1.4
181.10095	6.2
182.10927	1.1
183.08072	1.7
183.11699	5.5
185.09648	2.2
185.13246	4.3
187.11192	1.4
187.14801	1.6
189.12720	0.7
193.10172	4.0
193.12143	0.7
195.11688	7.4
197.09634	1.5
197.13252	4.4
199.11153	2.0
199.14868	1.9
201.12772	1.5
203.14221	1.2
205.10219	1.1
207.11760	2.8
208.44798	0.6
209.13293	4.2
211.11191	1.4
211.14810	2.7
213.12781	2.2
213.16353	1.5
215.14325	2.1
217.15877	1.4
219.11792	0.8
221.13275	4.6
223.11290	0.9
223.14842	4.1
225.12769	1.6
225.16467	1.4
227.14485	1.1
229.14270	1.5
231.13800	0.9
231.17531	0.8
233.13263	1.0
233.15375	0.9
235.14879	2.9
237.12869	0.9
237.16417	1.2
239.14444	3.1
243.13893	1.1
245.15521	0.9
247.14900	0.8
249.16380	1.3
253.15863	1.7
257.15350	1.8
259.17139	1.3
267.17825	0.7
271.17065	2.9
285.18619	1.6
295.16660	0.7
301.07224	1.0
303.19672	1.0
305.22720	1.5
313.18115	0.6
315.21048	1.5
323.23578	3.2
333.22119	6.8
341.24695	4.6
351.23187	23.4
352.23587	0.6
369.24286	17.9
370.24902	0.8
387.25284	10.0
389.24829	0.9
415.28375	1.4
425.26804	6.8
433.29288	1.3
443.27945	100.0
444.28305	3.0
461.28998	66.1
462.29263	1.5
485.29080	1.7
503.29941	2.2
508.75165	0.8
513.28772	1.0
551.29834	1.3
569.30792	1.6
587.32123	2.3
605.33295	3.9
623.34198	3.3
767.36096	0.8
784.31403	0.6
785.39099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
55.05711	0.4
56.05007	0.9
57.03440	0.5
57.51564	0.3
58.06587	0.6
60.05621	0.2
60.08169	5.9
60.59514	0.2
61.02887	0.3
67.05511	3.3
69.03405	0.6
69.07042	0.7
71.07379	3.6
71.51851	0.3
71.52709	0.3
79.05492	2.1
80.05833	0.3
81.03407	0.6
81.07069	2.6
83.04971	0.5
83.08604	0.6
85.02876	0.4
86.09711	30.5
91.05483	1.5
93.07060	1.8
95.04957	0.4
95.08613	1.9
97.02919	0.3
97.10132	0.6
98.98473	3.1
104.10755	2.3
105.06992	1.0
106.07294	0.3
107.08567	1.2
109.10108	1.0
114.23428	0.3
117.07018	1.0
119.08553	1.1
121.10200	0.4
125.00013	20.1
125.09580	0.5
129.06943	0.4
131.08588	0.5
133.10147	0.3
135.11656	0.5
143.08623	0.7
145.06483	0.5
145.10126	0.8
145.94061	0.4
147.11658	0.3
157.10172	0.6
158.10393	0.3
169.10123	0.5
172.49699	0.3
183.11732	0.4
184.07350	100.0
185.07680	0.3
188.29977	0.3
223.13043	0.3
223.14967	0.3
227.12817	0.5
229.14360	0.3
271.17096	0.7
295.33145	0.3
335.25854	1.2
380.30527	0.3
460.73450	0.3
606.42535	1.2
623.43414	0.8
624.43134	2.4
723.23193	0.3
768.48608	0.7
786.49182	9.7
787.49402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
57.03435	3.7
57.07071	1.9
60.08168	5.0
61.02925	4.7
65.03905	0.7
67.05508	9.9
68.39935	0.7
69.03423	2.4
69.07065	3.4
71.07357	2.0
71.08617	1.3
73.02914	3.3
73.10555	0.7
79.05497	9.0
81.03410	0.8
81.07067	11.4
83.08630	1.7
85.02907	3.4
86.09708	22.3
91.03969	2.3
91.05494	4.8
93.07041	9.1
93.68153	0.7
95.08612	7.7
97.02911	3.4
98.98457	2.4
99.93513	0.7
104.10748	2.0
105.07040	1.9
107.08602	3.3
107.58282	0.8
109.10149	3.0
111.08051	0.8
117.05787	2.3
118.06554	14.8
119.08602	3.4
121.10133	2.6
123.08008	0.9
123.11693	0.9
125.00020	14.7
125.09644	1.1
130.06573	2.2
131.07323	7.1
131.08446	1.8
132.08102	9.3
133.08946	1.9
133.10088	1.0
135.11693	1.5
144.08061	1.5
145.10153	1.2
146.09663	7.1
158.09669	0.9
159.11731	1.1
160.11229	3.8
174.12848	0.8
184.07353	79.1
185.07748	1.5
188.14418	1.1
244.20604	4.9
272.20102	100.0
273.20636	1.5
290.21158	21.4
301.01968	0.7
313.27567	1.2
314.28024	1.0
335.25934	2.8
346.23819	10.8
364.24838	29.5
435.18149	1.5
481.38919	0.9
508.29477	1.0
606.45178	2.4
624.46252	72.7
625.46606	3.0
768.51630	7.7
786.51520	67.1
787.51855	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	787.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05515	9.0
57.03425	2.5
59.04994	0.8
60.39570	0.6
61.02919	2.8
65.03934	1.5
67.05511	21.6
69.03418	2.2
69.07066	7.3
69.16708	4.9
69.17115	1.7
71.04986	1.9
74.25689	0.7
79.05496	17.9
81.03403	2.9
81.07059	21.8
83.04961	1.9
83.08616	4.3
85.02896	3.2
85.06530	1.8
91.03947	1.9
91.05486	23.5
93.07042	20.2
95.04963	2.4
95.08603	12.6
97.02905	1.7
97.06528	3.5
97.10157	2.8
105.07034	25.9
107.04958	3.0
107.08600	11.8
109.06501	2.0
109.10138	5.1
111.08048	1.7
115.05479	0.8
117.07025	13.3
119.08586	14.9
121.06491	2.8
121.10130	6.8
123.08099	1.2
123.11717	1.4
125.09626	1.2
127.03867	0.8
128.06259	2.0
129.07010	8.2
131.08577	22.6
133.06502	1.7
133.10130	11.1
135.08032	2.0
135.11642	3.4
137.09587	1.7
141.06985	2.2
142.07797	1.6
143.08556	9.4
145.06497	1.3
145.10126	13.1
147.08031	2.3
147.11700	2.9
149.09608	2.4
149.13254	1.2
151.11229	1.2
155.08549	5.7
157.10136	7.2
159.08032	1.5
159.11707	6.8
161.09601	2.2
161.13257	2.6
163.06003	0.9
163.11093	1.2
167.08575	1.8
169.10077	4.6
171.11690	4.7
173.09605	1.0
173.11946	0.8
173.13292	3.3
175.11179	1.5
178.09952	0.7
181.10158	3.2
183.11662	3.0
185.09584	1.6
185.13313	3.4
187.11188	1.4
187.14755	1.2
195.11723	2.1
197.13264	3.1
199.11290	0.8
199.14864	1.8
201.12781	1.4
205.12221	1.0
207.11696	0.9
209.13271	2.4
211.14835	2.1
213.12816	1.3
217.15858	0.9
223.14951	0.8
225.16493	0.9
233.15384	1.6
235.14659	0.8
237.16446	0.9
243.17578	1.0
247.16975	1.4
255.17374	1.0
259.16919	1.0
271.16974	0.7
273.18521	1.0
275.20050	0.9
325.25269	2.6
327.22812	0.8
335.23779	2.6
343.26257	4.2
353.24786	9.8
371.25854	10.9
389.26862	12.9
417.30255	1.0
427.28561	1.1
445.29514	100.0
446.29877	3.2
463.30569	70.5
464.30783	1.5
787.39142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05511	6.3
57.03439	3.2
61.02911	2.1
64.52534	0.5
65.03933	1.2
67.05509	17.6
69.03422	1.8
69.03787	0.5
69.07070	7.8
69.38513	1.0
69.38922	3.6
71.04978	1.3
73.02930	1.0
73.11611	0.5
77.03962	0.5
77.47495	0.4
79.05496	13.6
79.50012	0.5
81.03424	2.6
81.06589	1.0
81.07060	17.7
82.07399	0.5
83.04967	1.3
83.08624	4.2
85.02930	2.4
85.06551	1.1
91.03937	2.0
91.05483	17.4
92.05816	0.5
93.07050	14.8
95.04950	2.1
95.08610	11.9
97.02891	2.1
97.06514	2.9
97.10179	1.8
101.05975	0.6
103.05486	0.5
105.04568	0.5
105.07038	16.3
107.04964	1.8
107.08611	7.9
109.02895	0.5
109.06516	2.1
109.10153	5.2
111.04327	0.6
111.08098	1.2
115.05474	1.0
117.07024	10.7
119.07806	0.9
119.08585	12.1
121.06493	1.9
121.10140	5.9
122.76669	0.5
123.08036	0.9
123.11667	0.8
125.09643	1.6
127.03931	1.3
128.06227	0.9
129.07018	6.7
131.08580	14.6
133.06477	1.2
133.10133	8.6
135.08031	1.5
135.11752	2.7
137.09616	1.5
141.06998	2.2
143.08580	6.6
145.06526	1.2
145.10126	11.4
147.08041	2.2
147.11690	2.7
149.09605	2.4
149.13258	1.5
151.11227	1.2
153.07024	0.6
155.08560	3.3
157.10115	5.4
159.08008	0.9
159.11702	4.3
161.09656	1.7
161.13284	1.4
163.11176	0.9
167.08571	1.6
169.10143	3.0
171.11693	4.3
173.09637	1.4
173.13289	1.6
175.14778	0.6
181.10106	1.9
183.11691	2.9
185.13327	2.8
187.11217	0.9
187.14830	1.8
189.16307	0.6
191.14357	0.6
195.11655	1.4
197.13249	2.4
199.14832	1.5
201.12787	0.7
201.16396	0.6
209.13292	1.1
210.14816	0.8
211.14919	1.8
217.15923	1.0
223.14870	0.6
227.14555	0.7
233.15279	1.1
241.15904	0.9
243.17456	0.6
247.17000	1.2
261.18509	1.0
273.15421	0.5
273.18558	1.8
275.20160	1.1
291.19644	1.0
307.23965	0.5
325.25226	1.3
335.23254	1.0
343.26318	2.6
353.24783	6.0
365.23224	0.7
371.25751	6.8
389.26889	6.8
427.28439	1.1
445.29523	100.0
446.30054	2.4
463.30563	27.7
464.30737	0.6
769.49164	0.7
806.06128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
55.05513	27.6
57.03185	1.0
57.03440	10.5
57.07074	1.6
61.02934	7.2
65.03953	3.7
65.81941	0.7
67.05508	55.2
69.03432	5.1
69.06730	1.3
69.07073	16.4
71.04995	4.0
73.02914	2.2
77.03925	1.7
79.05496	48.9
81.03428	3.9
81.07060	58.4
83.04991	5.3
83.08620	11.1
85.02909	5.7
85.06544	3.3
91.03952	3.0
91.05486	60.3
93.07050	47.4
95.04977	5.8
95.08614	41.8
97.02888	5.4
97.06548	4.7
97.10172	3.8
98.20697	1.3
99.08094	1.5
103.05457	2.4
105.04472	2.1
105.07037	42.1
107.04964	5.1
107.08599	23.4
109.02901	0.8
109.06518	7.8
109.10166	12.5
111.04457	0.8
111.08078	3.6
115.05452	7.5
115.96959	0.6
116.06240	3.5
117.07025	38.1
119.04942	1.8
119.08587	29.7
121.06537	5.0
121.10152	16.5
123.08100	5.1
123.11747	3.9
125.09643	2.7
128.06235	13.4
129.07010	23.6
130.07788	5.9
131.08577	48.6
133.06480	8.0
133.09128	0.9
133.10136	17.6
135.08054	5.2
135.11700	9.9
137.09610	2.1
137.13242	1.0
139.11186	1.8
141.06996	7.5
142.07762	4.1
143.08568	49.4
144.09320	2.2
145.06500	2.5
145.10129	54.3
145.49359	0.8
146.10445	1.2
147.08047	7.8
147.11705	10.5
149.09613	4.4
149.13297	4.0
153.06982	0.9
154.07765	1.8
155.06075	1.0
155.08578	7.9
156.09322	1.8
157.10139	19.5
159.08083	3.6
159.11693	17.3
161.09625	11.2
161.13220	4.5
163.07504	0.9
163.11172	5.5
163.14885	1.1
165.07014	1.9
166.07820	1.7
167.08554	4.5
169.10150	13.7
170.10759	1.0
171.08040	1.4
171.11688	17.3
173.09622	3.0
173.13211	3.9
175.11195	6.4
175.14795	1.2
177.12744	3.4
178.07643	0.8
179.08597	0.9
181.10107	7.4
183.11671	6.3
185.09668	2.4
185.13251	5.9
187.11203	2.4
187.14851	1.8
189.12793	2.3
189.16350	0.9
191.10603	1.1
195.11681	10.8
197.13300	1.5
199.11203	2.4
199.14929	2.1
201.12805	2.9
203.14354	1.5
207.11671	1.0
208.12448	1.0
209.13249	3.2
211.10994	0.9
211.14842	2.0
213.12778	2.2
213.16386	1.0
215.14372	1.5
217.15904	0.9
227.17981	6.7
231.13713	1.2
235.14874	1.0
237.16420	12.9
243.21086	1.6
245.18980	6.1
255.17450	18.3
257.19025	1.3
259.20667	1.8
261.22195	4.8
271.16953	1.2
273.18500	66.2
274.18695	1.1
291.19458	2.5
329.21249	4.7
333.24384	1.3
335.25818	100.0
336.26285	1.8
347.22189	34.5
348.22607	1.2
365.23132	1.4
475.34085	0.8
567.40222	1.0
589.42651	1.1
607.43579	44.7
608.43158	1.6
619.56995	0.8
625.44757	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.0
55.05517	41.4
57.03443	9.6
57.07079	1.9
59.04986	1.3
61.02934	8.8
64.18513	0.9
65.03944	6.1
67.05510	64.9
69.03429	4.8
69.07075	19.6
71.04996	3.1
73.02926	1.4
76.38023	1.0
77.03932	2.0
79.05499	60.6
81.03432	3.5
81.07062	70.6
83.04990	6.6
83.08630	12.8
85.02917	5.6
85.06554	3.1
91.03957	2.2
91.05489	82.0
92.06354	1.1
93.07053	59.2
94.07389	0.9
95.04990	7.5
95.08614	52.3
97.02902	4.8
97.06535	7.3
97.10166	7.5
98.20731	2.8
99.08089	3.0
103.05485	4.4
105.04527	3.0
105.07039	61.7
107.04967	4.0
107.08601	29.0
109.06525	8.4
109.10165	12.7
111.08103	4.5
115.05461	8.3
116.06232	6.3
117.07024	53.2
119.04939	2.7
119.08585	38.4
121.06532	7.4
121.10154	18.3
123.08059	8.5
123.11722	3.8
125.09641	4.6
128.06235	29.0
129.07016	34.3
130.07813	13.9
131.04932	1.6
131.08580	91.7
133.06511	8.1
133.10147	21.0
135.08055	4.7
135.11700	10.2
137.09633	2.4
139.11177	2.3
141.06984	13.3
141.09091	1.2
142.07806	9.2
143.08571	100.0
144.09312	1.6
145.06494	4.2
145.10132	94.7
147.08044	8.8
147.11703	8.7
148.25702	1.1
149.09644	3.5
149.13283	4.6
151.11230	2.1
153.07033	1.6
154.07755	3.4
155.06108	2.7
155.08565	10.3
156.09282	2.1
157.10146	27.0
159.08055	6.4
159.11703	21.6
161.09636	13.5
161.13295	4.2
163.11121	5.5
163.14828	1.7
165.07010	3.2
166.07765	3.0
167.08566	4.5
169.10130	18.0
171.07993	1.6
171.11720	17.5
173.09665	2.8
173.13268	5.3
175.11192	5.5
175.14767	1.6
177.12782	6.2
179.10619	1.3
180.09438	2.3
181.10138	13.2
183.11702	12.0
185.09575	2.1
185.13255	8.7
187.11197	2.5
187.14763	2.7
189.12697	1.5
195.11711	21.4
197.13290	2.5
199.11214	3.9
199.14825	1.7
201.12752	4.0
208.12451	1.3
209.13286	3.8
211.14810	2.4
213.12794	4.0
215.12740	1.2
227.12535	1.4
227.17923	6.2
231.13777	1.6
237.16386	23.5
241.14305	2.1
245.19131	6.4
255.17471	27.3
257.18924	1.0
259.20654	1.7
261.22217	6.4
273.18506	82.3
274.18716	1.3
291.19669	2.0
310.86227	1.0
317.24988	1.3
329.21048	8.2
331.99353	1.1
335.25818	88.9
336.26108	1.6
347.22198	48.1
381.20935	1.5
409.28650	1.1
419.43466	1.0
438.87717	1.1
589.42725	2.2
607.43604	63.1
608.43835	4.6
625.44421	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	788.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.3
55.05273	1.8
55.05513	21.7
55.42378	1.0
57.03440	21.9
57.07054	3.0
57.29914	0.9
59.05020	1.2
61.02920	4.3
64.52822	0.8
65.03937	4.1
67.05508	74.1
69.03436	6.0
69.03752	1.1
69.07070	22.6
69.69357	3.9
71.01344	1.1
71.04979	5.5
73.02903	1.7
79.05495	54.3
81.03421	95.5
81.07060	74.1
83.04980	9.3
83.08620	24.6
85.02896	4.5
85.06533	2.8
86.09695	2.0
91.03958	1.3
91.05486	45.3
93.07048	57.2
94.07397	1.0
95.04972	30.0
95.08608	47.1
96.08954	1.1
97.02914	5.6
97.06541	8.2
97.10151	7.3
99.08065	1.4
103.05505	1.1
105.04498	1.6
105.07036	33.1
106.07363	1.3
107.04952	9.8
107.08596	30.6
108.08942	1.0
109.06522	5.8
109.10164	24.7
111.04429	2.6
111.08087	9.6
115.05430	2.8
117.07047	9.0
119.04964	1.4
119.08587	28.4
120.08929	1.2
121.06513	4.8
121.10144	30.1
123.04482	1.3
123.08054	3.7
123.11739	8.4
125.09619	4.3
129.07016	14.1
131.08578	25.6
132.08876	1.0
133.06543	4.5
133.10143	20.4
134.10464	1.2
135.08104	2.0
135.11700	16.5
137.09637	5.2
137.13239	2.8
139.11168	2.3
141.06952	0.9
142.07773	3.4
143.08522	4.0
145.10123	13.4
147.08069	3.9
147.11688	14.1
149.09593	8.1
149.13255	8.3
151.11206	1.4
155.08517	3.0
157.10146	15.4
159.08113	1.0
159.11716	8.7
161.09593	1.5
161.13266	5.7
163.11154	2.5
163.14821	3.9
165.12752	2.7
169.10043	1.1
171.11748	2.3
173.11850	1.3
173.13251	8.1
175.11185	12.5
175.14813	3.0
177.12755	2.2
183.11668	1.7
184.07346	2.7
185.05779	1.0
185.13292	1.9
187.14796	4.4
189.11205	2.8
190.65814	1.0
193.12247	26.8
197.13167	1.4
199.14758	1.0
205.15915	1.0
207.13828	1.0
211.13307	4.8
227.12767	7.2
233.22488	1.2
235.13321	1.3
243.21106	5.7
247.16887	1.1
249.14851	2.6
259.20697	1.6
261.22156	17.9
265.18106	1.1
267.15927	100.0
268.16406	1.5
270.83481	1.1
275.20078	1.9
276.20218	1.1
285.16968	2.3
285.21973	1.4
301.25204	6.1
309.17108	1.8
317.24673	3.8
331.17484	14.5
333.24356	1.5
335.25812	92.6
336.26212	2.2
341.24710	1.1
403.24832	1.6
417.31332	1.3
421.25577	1.5
435.27411	1.9
435.32523	5.6
453.33624	6.8
461.28854	1.6
463.30432	1.3
471.34625	4.6
489.35693	2.9
509.36475	1.7
527.37347	59.5
528.37573	3.2
531.40497	1.4
545.38391	48.4
554.05780	1.2
567.88287	1.0
569.38422	3.0
573.37854	2.2
591.39117	9.9
608.44318	1.9
626.44934	1.4
635.39233	1.8
671.41595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.1
55.05513	23.5
57.03440	6.0
57.07072	1.3
58.30587	0.6
59.05001	2.4
61.02927	1.5
61.30127	0.7
65.03941	2.7
67.05508	58.9
69.03431	10.3
69.07070	30.1
69.07348	0.5
70.68864	1.1
70.69184	0.7
71.04998	24.8
73.02899	0.6
79.05496	29.9
80.01495	0.7
81.03426	6.1
81.07059	77.2
82.07410	0.9
83.04991	5.0
83.08624	12.0
85.02917	2.8
85.06549	7.7
91.05482	32.4
93.07045	26.8
93.07639	1.4
95.01344	0.7
95.04973	7.7
95.08616	16.7
97.02893	12.8
97.06522	6.1
97.10177	11.8
99.04464	0.9
99.08082	1.0
105.04556	0.7
105.07034	19.5
107.04953	5.5
107.08598	20.3
109.02890	0.9
109.06532	4.1
109.10163	12.3
111.04440	1.4
111.08083	4.4
113.06076	0.8
117.07022	8.3
119.04956	0.6
119.06046	0.7
119.08584	10.8
121.06522	3.2
121.10149	9.1
123.04401	0.8
123.08070	3.4
123.11707	10.5
125.09632	10.0
127.03876	0.7
127.07530	0.6
129.07047	2.8
131.08585	8.7
133.06514	2.2
133.10130	18.0
135.08032	3.4
135.11699	5.3
137.09677	3.1
138.49789	0.7
139.11197	0.8
143.08582	2.2
145.10114	4.0
147.08060	5.8
147.11705	3.5
149.09650	2.6
149.13260	7.4
151.11217	6.1
153.09219	0.7
155.08577	0.8
157.10139	3.4
159.08089	0.8
159.11693	6.4
161.09659	2.4
161.13263	1.4
162.10495	0.6
163.11163	1.8
165.09151	1.6
169.12245	1.8
171.11658	1.2
173.04501	0.7
173.13359	1.0
175.11217	2.1
177.12755	3.3
179.03468	0.7
182.07449	0.7
183.11629	0.6
183.13826	2.4
184.07353	1.2
185.13293	0.9
187.11246	0.6
187.13399	2.9
189.11270	2.7
193.12215	1.1
195.12163	0.7
195.13733	3.2
205.12270	1.7
211.13393	0.7
223.13286	17.2
223.15428	1.2
225.14827	4.5
227.12781	3.5
235.13388	0.9
245.19025	1.2
249.14912	2.8
251.16469	1.1
253.14410	2.0
255.17534	1.0
257.17545	3.3
267.15912	2.7
269.17499	9.7
273.18500	10.5
280.24152	0.6
291.19547	82.8
292.19763	1.4
301.20087	27.0
309.20560	1.3
335.25836	1.2
347.22247	1.8
365.23242	20.8
427.26642	1.5
435.27731	1.1
461.29260	1.8
476.92242	0.7
479.30194	0.7
511.32919	1.7
515.33936	3.2
523.32062	0.8
533.34766	100.0
534.34802	3.6
541.35254	3.2
547.36304	19.7
548.36639	1.2
559.36316	73.3
560.36652	2.1
577.37524	1.1
591.38959	36.0
592.40057	0.8
609.39935	0.9
788.49695	1.0
800.56061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.3
55.05512	17.1
57.03443	8.9
57.07079	2.6
59.05014	1.2
61.02929	3.1
65.03935	3.9
67.05508	84.2
68.99813	0.7
69.03426	7.4
69.07071	16.2
69.33801	2.0
69.34209	3.8
71.01388	0.9
71.04996	33.4
73.02924	1.5
73.06572	1.5
79.05495	38.9
81.03425	14.7
81.07059	100.0
83.04980	10.5
83.08618	9.7
85.02922	2.5
85.06548	10.8
86.09726	1.1
87.04446	0.9
91.05485	63.9
93.07048	41.6
95.04980	9.5
95.08610	22.7
97.02906	2.3
97.06532	9.5
97.10184	2.5
98.20715	0.7
99.04469	2.2
99.08094	1.9
101.06048	0.9
101.29386	0.8
103.05489	1.1
105.04559	1.5
105.07038	44.4
107.04976	5.7
107.08601	36.2
109.02921	0.9
109.06517	7.5
109.10164	46.6
111.04455	2.0
111.08064	4.6
113.06010	2.3
115.05444	0.9
117.07032	8.5
119.04994	0.9
119.08587	11.1
121.06503	7.2
121.10146	9.8
122.43499	0.8
123.04456	0.8
123.08091	3.7
123.11716	15.3
125.09643	2.2
127.03941	1.1
127.07575	2.5
128.06248	2.5
129.06982	4.0
131.08580	11.2
133.06549	3.5
133.10135	68.1
134.10503	0.8
135.08051	7.4
135.11703	7.1
137.09651	2.9
139.07564	1.1
143.08566	3.7
145.10126	6.3
147.08067	2.9
147.11691	5.1
149.09628	5.9
149.13287	5.2
151.11191	32.1
153.12718	1.1
155.08545	0.9
157.10197	3.4
159.08138	1.6
159.11688	6.5
161.09659	7.4
161.13315	1.3
163.07632	1.0
163.11221	2.9
165.12720	1.1
169.10071	1.3
169.12245	4.1
171.11710	2.4
173.09679	1.3
173.13243	1.3
175.11176	3.7
177.09129	1.8
177.12799	2.3
179.10706	2.6
181.12242	1.2
183.13826	5.0
184.07324	3.5
187.11226	1.7
187.13385	2.8
187.14867	1.0
189.12773	1.0
193.12254	2.0
195.13838	2.1
199.11192	0.9
201.14842	1.1
208.15083	0.7
215.12743	3.5
225.14822	3.9
227.18069	1.1
241.14195	1.0
243.15941	2.1
245.19101	2.9
251.12892	2.0
251.16489	1.6
253.14357	86.5
254.14647	1.4
255.17560	1.1
257.17557	3.7
263.20084	2.7
267.16013	3.9
269.17480	7.0
271.15320	1.3
273.18475	15.8
273.21194	0.9
291.19537	16.5
301.20084	28.9
309.20413	0.9
335.25867	7.8
336.40378	0.8
347.22314	6.2
365.23245	19.0
391.25134	1.0
421.25916	7.4
435.27679	1.2
442.87643	1.0
447.27362	2.2
451.26978	1.2
453.28473	30.1
465.28763	4.7
467.38086	0.8
479.30051	2.6
497.31113	8.7
515.33771	12.6
527.37061	1.3
529.35168	0.9
533.34766	66.8
534.35443	2.1
538.60388	0.8
541.35144	8.8
545.37994	1.5
547.36285	10.5
559.36298	36.6
560.36206	1.6
573.37988	2.8
591.38947	52.6
592.39374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.7
55.05509	16.5
55.55030	1.0
57.03435	10.0
57.07077	1.7
57.75258	1.1
65.03921	2.4
67.05508	37.8
69.03439	1.3
69.07072	20.7
71.04991	2.0
71.53136	1.3
71.53526	1.3
73.18258	1.1
78.11719	0.9
79.05156	1.2
79.05496	35.4
81.03418	4.4
81.07057	49.2
83.05009	5.1
83.08624	8.2
85.06541	2.9
86.01421	1.1
86.09708	1.8
91.05483	36.5
93.07049	32.6
95.01331	4.3
95.04980	6.6
95.08611	32.3
95.09091	0.7
97.06534	14.5
97.10184	3.0
103.05474	1.1
105.04495	1.3
105.07037	44.1
107.04959	8.6
107.08600	18.0
109.06523	5.9
109.10161	10.3
111.08054	1.7
117.07023	11.0
119.08592	24.2
121.06509	1.8
121.10148	12.3
123.04470	1.1
123.08056	3.2
123.11677	2.9
129.07019	1.8
131.08575	14.9
133.06444	1.0
133.10124	26.1
135.08072	2.5
135.11693	7.4
137.09604	2.0
143.08589	3.6
145.10152	10.1
147.11673	7.5
149.09633	2.9
149.13268	3.6
157.10187	1.7
159.11697	7.1
161.13254	5.5
163.11180	2.4
169.10135	1.3
173.13303	2.3
177.12744	1.3
179.14301	5.8
183.11606	1.2
184.07353	5.7
187.11139	1.6
200.08986	1.1
219.17432	23.1
257.19012	2.8
275.20068	44.3
286.92435	1.1
293.21167	2.6
311.25369	1.2
313.73550	1.1
335.25821	53.0
336.26169	1.7
349.23761	18.7
401.40228	1.1
464.39389	1.1
609.45135	100.0
610.45239	2.9
627.45483	1.9
792.28632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05513	26.8
55.85802	0.8
56.85339	0.8
57.03440	11.4
57.07071	1.6
59.04993	0.8
61.02922	2.3
65.03931	2.9
67.05507	51.3
68.56633	0.8
69.03432	10.6
69.07067	29.9
69.45087	0.7
70.06577	1.3
70.10310	2.7
70.10667	1.6
71.01373	1.3
71.04995	4.6
73.02898	0.8
79.05496	41.4
79.05965	2.0
81.03419	68.5
81.07058	47.5
83.04986	13.7
83.08621	23.6
85.02912	4.6
85.06541	3.1
86.09702	1.8
91.03954	1.1
91.05482	41.1
91.23780	0.8
93.07046	41.9
95.01340	1.2
95.04969	26.7
95.08614	22.2
95.09222	0.6
97.02890	10.6
97.06544	10.2
97.10171	15.4
99.04443	1.7
99.08094	2.2
105.04509	1.2
105.07030	31.0
107.04960	14.1
107.08597	29.8
109.02891	1.5
109.06533	6.6
109.10153	18.8
111.04481	5.7
111.08077	7.6
113.06017	2.6
115.05456	2.4
117.07024	12.4
119.04951	2.8
119.08583	25.3
121.06512	7.9
121.10139	17.0
123.04467	1.6
123.08057	6.1
123.11729	3.7
124.08477	1.0
125.09634	12.9
127.03929	1.3
128.06256	1.4
129.07013	12.3
130.07832	1.6
131.04893	1.2
131.08574	19.1
133.06505	6.1
133.10138	22.4
135.08063	6.6
135.11699	11.0
137.09613	3.8
139.07579	0.8
141.06996	1.3
142.07787	2.5
143.08565	3.3
145.06470	2.6
145.10115	13.9
146.07222	1.2
147.08049	8.1
147.11682	11.9
149.09622	10.8
149.13260	3.5
151.11220	6.0
153.09064	1.0
153.12727	1.4
155.08578	2.8
157.10118	12.6
159.08044	2.4
159.11707	5.4
161.09613	4.5
161.13287	2.8
163.11174	9.7
165.09207	1.0
165.12831	1.1
167.08638	0.9
169.10165	2.5
169.12216	1.0
171.10272	1.0
171.11693	3.2
173.09636	2.6
173.11833	1.3
173.13269	2.1
175.11195	8.6
177.12744	2.2
181.12233	2.3
183.08142	0.9
183.11674	1.4
184.07431	4.0
185.09581	1.0
185.13261	2.1
187.11226	1.8
189.11261	4.6
189.12747	1.2
191.10619	3.2
193.12234	15.6
195.11751	1.3
195.13896	1.9
199.11183	1.3
203.14406	1.1
205.12224	2.1
206.71800	0.9
207.13824	1.0
209.11700	5.0
211.13258	2.1
211.15031	0.9
219.13850	2.6
219.23407	0.8
223.13249	14.3
227.10867	0.9
227.12805	10.3
233.15419	1.2
235.13211	0.9
239.18060	1.3
245.19135	2.3
249.14795	3.7
253.14294	8.1
255.15871	2.4
257.19107	2.1
263.19989	1.3
267.15924	65.7
268.16159	1.8
269.17474	7.1
273.18454	12.3
275.20102	5.1
283.15390	20.0
285.16946	4.7
287.20074	2.0
291.19540	63.5
301.16617	4.0
313.21436	2.0
331.23239	1.0
347.22168	2.3
349.23810	6.4
355.22461	0.9
365.23242	43.0
367.22516	0.7
367.24643	0.9
383.23468	1.2
385.23734	2.0
403.24820	1.2
437.25311	1.2
445.25903	4.7
459.27298	5.9
461.28961	0.9
463.26694	6.9
465.29785	2.8
477.28540	17.5
481.27786	1.8
483.30875	1.8
495.29431	8.5
517.31152	1.2
532.53778	1.1
539.33630	8.6
557.34735	100.0
558.34998	2.9
575.27161	1.6
575.35730	18.7
593.36816	2.3
599.35815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.8
55.05517	23.3
57.03441	15.4
57.07076	2.9
59.05012	2.4
61.02943	3.9
61.05573	1.2
65.03939	2.2
67.05510	100.0
68.05817	1.4
69.03435	2.6
69.07072	22.7
71.05000	8.0
71.53150	2.3
73.02926	3.8
79.05502	40.0
81.03432	12.6
81.07064	68.6
82.07404	1.5
83.04986	8.9
83.08628	20.1
85.02921	10.2
85.06553	3.9
86.09720	2.2
87.04476	2.2
91.05490	26.2
93.07051	48.3
93.07639	2.6
95.04974	7.7
95.08613	24.4
97.02902	3.3
97.06530	13.1
97.10184	10.6
99.08112	3.7
105.07040	9.4
107.04964	4.9
107.08602	30.2
109.06521	4.3
109.10168	42.6
111.08099	9.0
116.04699	1.7
117.07014	8.6
119.08591	9.4
121.06502	3.6
121.10159	20.3
123.11707	3.5
125.00015	2.1
125.09637	9.6
129.05504	1.9
129.07011	2.0
131.08562	10.3
133.10159	10.7
134.94652	1.3
135.08081	3.0
135.11722	8.6
137.09625	2.6
139.11189	1.8
143.08603	1.6
145.10135	5.0
147.08058	1.5
147.11699	4.2
148.29417	1.2
149.09628	2.1
149.13266	25.3
151.11194	1.5
152.19234	1.4
153.12807	3.0
155.10718	2.8
159.11705	10.9
161.36807	1.5
163.11188	7.2
173.09592	1.4
173.11783	13.1
177.12782	6.0
181.12311	3.5
184.07361	12.9
187.80809	1.2
191.10738	3.5
193.12280	2.1
195.13841	12.8
199.13359	5.7
209.11752	5.1
211.13242	1.9
213.14839	1.6
227.12830	7.6
229.14375	36.5
257.02454	1.3
265.14371	2.9
267.15906	5.6
269.17496	75.6
270.17685	1.7
283.15390	6.8
297.16949	1.5
301.16531	7.7
301.19571	1.4
306.54492	1.5
335.25671	1.8
393.26208	2.5
399.23813	11.6
411.27567	2.9
423.27441	68.0
459.27271	2.2
461.29190	2.9
477.28424	4.1
478.29498	2.4
495.29507	12.7
513.30719	2.4
535.35468	1.6
561.37488	1.8
593.36847	36.9
680.21063	1.5
706.58789	1.3
738.74414	1.3
790.53406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.0
55.05513	36.4
56.96025	1.7
57.03439	21.4
57.07062	4.3
59.04713	2.6
59.05004	40.1
61.02926	4.0
65.03944	3.1
67.05508	100.0
67.72716	1.5
68.02738	1.4
69.03419	5.4
69.07070	16.6
69.80881	7.3
71.04992	14.1
71.08617	3.9
79.05498	46.1
80.05847	1.5
81.03423	8.1
81.07059	63.9
83.04976	6.9
83.08629	18.2
84.61252	1.3
85.02910	7.1
85.06551	3.6
85.31506	1.5
86.09693	4.2
87.03934	2.6
87.04472	50.0
87.27225	1.4
89.06026	7.6
91.05489	24.5
93.06483	3.1
93.07047	42.1
95.04963	6.1
95.08612	37.7
97.02892	3.3
97.06532	3.6
97.10184	18.8
98.21447	1.4
99.04451	17.4
99.08108	1.7
105.07040	18.3
107.04967	2.9
107.08596	26.7
109.06528	2.0
109.10162	58.6
111.04436	3.1
111.08067	4.5
115.03909	2.0
117.07006	6.7
119.08593	16.0
121.09322	2.3
121.10144	21.1
123.08085	3.1
123.11700	4.7
125.00014	3.3
125.09627	12.8
129.06995	2.1
131.08560	10.0
133.08607	3.8
133.10120	11.1
135.08104	1.5
135.11705	10.5
137.09586	2.5
139.11208	1.6
143.10684	1.9
145.10129	8.1
147.11655	8.6
149.09648	1.8
149.13263	3.3
155.10645	3.7
157.10144	2.0
159.11687	4.7
161.13222	3.5
163.11163	3.8
163.14825	1.7
171.11694	2.6
173.09648	1.8
173.11736	15.9
173.13287	4.1
175.14819	2.8
177.11285	2.8
184.07335	15.0
187.14966	2.0
189.11324	1.9
191.10796	1.9
193.12314	2.9
199.13304	10.5
201.12737	1.6
209.11652	1.6
215.18188	1.4
215.20241	1.4
227.12851	7.5
229.14359	41.6
241.14272	3.9
243.21046	4.2
259.20554	2.0
261.22147	13.7
267.15958	11.6
283.15411	1.7
289.21698	2.4
315.18030	9.8
317.24692	1.8
335.25797	63.0
336.26166	1.8
337.27359	4.8
351.25089	3.1
363.25177	5.4
469.33194	1.5
477.35815	16.3
489.35794	49.7
490.36139	2.6
517.34747	2.1
529.38617	2.9
531.39667	1.8
543.36603	4.7
547.40302	2.0
561.37964	2.7
575.39240	5.6
593.40601	3.2
613.47943	3.1
619.57220	1.9
631.48828	4.2
803.72156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	1.0
55.05515	15.4
57.03434	9.3
57.07074	2.3
59.05011	1.4
61.02919	3.1
61.57344	0.7
62.03518	0.6
62.90402	0.8
65.03925	1.5
67.05506	72.8
69.03426	5.1
69.07070	18.1
70.56480	1.2
71.01334	0.8
71.04997	26.9
72.24586	0.7
73.02905	1.7
73.06577	0.9
79.05496	36.4
79.30369	0.7
81.03432	7.7
81.07058	100.0
83.04981	10.0
83.08619	12.8
85.02903	3.6
85.06550	10.3
86.09705	1.0
91.05480	37.9
93.07047	44.8
95.04973	8.3
95.08606	23.2
97.02901	2.3
97.06532	11.2
97.10159	3.5
99.04466	1.7
99.08080	2.5
103.05511	1.0
105.04510	0.9
105.07031	25.6
107.04969	4.3
107.07870	1.4
107.08596	27.0
107.09306	1.3
109.02891	1.1
109.06519	5.2
109.10165	10.8
111.08086	4.7
113.05991	0.7
113.09661	1.0
115.05492	1.1
115.96586	0.8
117.07021	11.1
117.07782	1.4
119.08590	11.8
121.06520	2.8
121.10143	13.6
123.08115	3.4
123.11703	14.4
125.09626	2.2
127.03909	2.2
127.07549	0.7
129.05460	1.3
129.06995	4.0
129.53014	0.7
131.08559	13.8
133.06560	1.3
133.10129	31.4
135.08041	4.2
135.11682	11.8
137.09647	1.6
139.11188	0.9
141.07082	0.9
143.08606	1.9
145.06516	0.9
145.10120	7.1
147.08113	0.9
147.11671	5.2
149.09645	6.1
149.13266	11.7
151.11182	10.5
155.08575	1.6
157.10194	2.1
159.08098	0.8
159.11694	11.3
161.09660	1.5
161.13300	1.4
163.11229	3.6
165.12810	1.2
168.13840	1.8
169.10075	1.2
169.12257	1.7
171.11742	2.8
173.04486	1.2
173.13297	2.7
175.11256	0.8
175.14885	1.2
177.12775	3.5
179.14412	1.1
181.12149	0.8
183.11790	1.3
183.13849	3.4
184.07375	3.0
185.13283	1.2
187.13281	4.6
193.12300	1.3
195.13811	4.5
197.13303	1.3
201.14882	1.2
207.14067	0.7
211.15121	0.8
213.14903	0.8
225.14886	1.3
227.12752	1.0
239.18031	0.9
243.15912	4.2
247.20753	0.9
247.27290	0.8
251.16565	1.7
253.14435	1.8
255.16080	1.4
257.17505	2.6
257.19550	1.2
267.15930	2.4
269.17496	15.2
275.20099	10.5
291.19775	1.0
293.21194	1.7
301.20093	17.0
331.22821	1.1
344.93094	0.8
345.94659	0.7
349.23697	9.4
367.24890	1.8
375.25241	1.1
395.20642	1.3
419.27908	1.0
423.27310	6.7
427.27249	1.0
437.29025	30.6
445.29425	2.4
449.29010	20.2
451.30713	7.4
463.30533	27.8
477.32379	1.3
481.31854	5.7
489.35770	1.0
495.33191	49.1
496.33826	1.1
499.34412	2.4
515.36816	0.8
517.35321	23.4
518.35760	0.9
520.40552	1.0
531.36798	2.1
535.36371	2.4
541.35706	1.0
543.36768	12.0
549.38116	0.9
561.37732	4.7
575.39801	7.9
581.33289	1.7
593.40900	3.9
594.01373	1.0
607.35101	4.4
639.37646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
55.05513	21.3
57.03437	9.9
57.07076	2.3
59.05008	1.8
61.02925	2.4
64.59229	0.7
65.03953	2.6
67.05509	70.5
68.05836	1.1
69.03439	7.1
69.07072	23.6
70.76461	1.8
71.01390	0.9
71.04996	32.1
71.08634	1.1
73.02913	1.4
79.05498	43.3
81.03421	12.9
81.07062	100.0
82.07400	1.4
83.04988	10.2
83.05406	1.1
83.08622	13.5
85.02913	5.2
85.06545	7.2
87.04475	1.4
91.05489	43.2
93.07047	42.7
95.04967	7.6
95.08615	23.8
97.02911	2.9
97.06540	14.1
97.10169	7.2
97.63612	0.8
99.04494	1.7
99.08101	3.9
105.04589	1.4
105.07039	26.7
107.04947	5.0
107.08605	32.2
107.62708	0.8
109.02887	1.5
109.06533	5.5
109.10165	11.4
111.04431	0.9
111.08086	4.9
113.09688	1.4
117.07023	12.6
119.08590	14.4
120.08125	0.8
121.06549	3.3
121.10154	12.2
123.08105	2.9
123.11710	13.7
125.09639	6.4
127.03986	1.8
129.07050	3.3
131.08572	15.9
133.10141	27.6
134.10489	1.0
135.08078	3.7
135.11697	12.0
137.09659	2.4
139.11208	1.0
141.07050	1.1
143.08618	2.9
145.04997	0.9
145.10127	8.4
147.08110	1.4
147.11684	8.1
149.09616	6.6
149.13264	11.2
151.11201	9.8
155.08600	1.3
157.10115	3.7
159.11700	13.5
161.13304	2.7
163.11179	5.1
167.08441	0.8
168.13870	1.9
169.10228	1.3
169.12248	1.3
171.10358	1.0
171.11774	3.1
173.04536	2.2
173.13277	2.6
175.11206	1.4
177.11404	0.7
177.12744	4.0
179.14354	2.8
181.12376	0.9
183.11766	2.1
183.13882	3.2
184.07501	1.0
185.13379	1.2
187.13356	3.8
189.11278	2.4
193.12257	1.2
195.13835	4.1
197.13286	1.0
201.12852	1.3
201.14890	1.3
225.14830	4.5
227.12807	10.4
229.19626	1.1
233.15485	1.1
239.18015	1.2
243.15955	3.3
247.20737	1.5
251.16550	1.0
253.14381	1.2
257.17090	1.5
257.19186	2.8
267.16006	2.2
268.16156	1.2
269.17532	13.4
273.18808	0.8
275.20071	16.0
276.20520	1.3
293.21149	2.3
301.20093	23.1
331.22565	0.9
347.10739	0.9
349.23770	14.8
367.25113	1.6
397.25836	1.6
419.27878	1.4
423.27448	4.8
427.26993	3.5
437.29111	18.4
445.29755	1.6
449.29004	15.3
451.30432	4.3
455.29880	1.5
463.30521	15.7
471.29578	1.0
481.31796	4.8
482.96924	1.1
495.33292	30.4
499.34052	5.5
517.35303	39.0
520.39917	1.2
525.35663	2.2
531.36890	5.6
535.36200	2.1
541.35345	1.4
542.35547	2.2
543.36731	26.1
561.37994	2.8
564.42535	1.1
575.39502	19.7
581.33093	1.8
593.41077	4.0
607.34900	1.8
639.37305	1.6
790.49463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
55.05518	0.8
56.05038	0.7
57.03424	0.4
57.07080	0.2
58.06615	0.6
59.07378	0.2
60.08166	7.0
60.74439	0.1
67.05505	1.8
67.32791	0.1
69.07059	0.6
70.06597	0.2
71.04994	0.1
71.07376	3.9
79.05495	1.3
80.05805	0.2
81.07062	1.4
82.07389	0.2
83.04995	0.2
83.08601	0.4
86.09706	33.0
86.56584	0.1
87.10044	0.2
91.05484	1.4
92.05839	0.2
93.07053	1.1
94.07352	0.1
95.04937	0.2
95.08608	0.9
97.06528	0.5
97.10156	0.3
98.98462	3.7
104.10748	3.1
105.07033	1.0
106.07330	0.2
107.08614	0.7
108.08942	0.2
108.96294	0.1
109.10146	0.5
117.06998	0.3
119.08598	1.0
120.08939	0.3
121.10165	0.3
123.11656	0.2
125.00005	22.4
131.08569	0.4
133.10143	0.6
134.10556	0.2
135.11748	0.2
137.09509	0.2
143.01083	0.2
143.08621	0.2
145.10159	0.3
147.11719	0.2
149.09570	0.2
149.13263	0.3
159.11702	0.2
160.12128	0.2
161.13286	0.2
166.02644	0.2
184.07341	100.0
185.07710	0.6
222.44319	0.1
228.81543	0.2
251.07135	0.2
256.64252	0.1
257.18927	0.1
258.19373	0.1
275.20078	0.9
276.20599	0.7
335.25848	0.9
336.26233	0.5
349.23758	0.6
350.24063	0.5
418.92953	0.2
609.45239	0.3
610.45410	1.9
690.46924	1.5
754.54523	0.2
772.54974	1.0
790.55853	4.7
791.56055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.8
55.05516	30.1
57.03242	1.4
57.03444	15.9
57.07061	1.7
59.04995	2.1
61.02919	1.9
62.46641	1.5
65.03925	3.2
67.05508	67.0
69.03439	10.4
69.07072	27.5
70.33557	4.9
71.01331	2.7
71.05007	8.4
72.81463	1.5
79.05501	58.3
81.03426	93.3
81.06589	3.7
81.07063	71.1
83.04990	15.7
83.08624	28.8
85.02905	7.5
85.06552	5.7
86.09712	3.4
86.60925	1.7
91.05491	53.9
93.06480	3.1
93.07054	51.2
95.04979	36.5
95.08610	32.2
97.02893	7.3
97.06541	16.5
97.10186	16.9
99.08096	1.9
105.04501	2.3
105.07043	46.3
107.04969	13.2
107.08600	37.2
109.02908	2.0
109.06539	10.5
109.07153	1.7
109.10152	14.6
111.04450	1.9
111.08086	9.9
115.05504	3.8
116.25452	1.6
117.07040	16.7
119.08588	38.5
121.06503	7.5
121.10155	26.8
123.04425	2.5
123.08089	6.0
123.11723	4.6
125.00016	2.1
125.09652	11.6
129.07018	15.2
131.08582	27.4
133.06490	6.1
133.10152	23.8
135.08076	7.7
135.11714	14.5
137.09593	5.5
139.11153	2.2
141.07031	3.2
142.07797	2.8
143.08568	7.2
145.06476	4.4
145.10110	16.2
147.08040	3.4
147.11700	21.4
148.70105	1.8
149.09639	18.5
149.13246	8.7
151.11215	3.0
155.08588	3.6
157.10144	17.7
159.11702	13.2
161.09683	3.3
161.11923	1.9
161.13251	4.8
163.11179	9.0
165.12764	3.6
169.10126	3.7
171.11703	3.3
173.09634	3.6
173.13234	5.1
175.11185	9.9
177.12784	5.2
181.10158	3.0
183.11696	4.5
184.07353	12.6
185.13283	4.0
187.11191	2.3
189.11234	6.5
189.12764	2.3
193.12247	21.3
195.13847	3.4
197.13318	2.7
199.14827	2.0
203.14378	2.1
207.13959	2.1
211.13345	2.5
215.11067	1.9
217.15974	4.4
227.12720	13.0
229.14278	3.6
231.13686	2.1
247.20695	2.0
249.14822	3.6
255.15895	10.3
257.18915	4.1
267.15955	80.3
268.16321	1.7
269.17502	20.5
275.20135	17.2
285.16879	5.4
293.21182	2.0
309.16971	1.8
331.22549	2.0
349.23727	23.3
351.23245	2.6
353.13223	1.9
367.24707	4.6
369.24185	4.7
387.25580	3.1
421.25604	5.3
433.29434	2.7
435.27219	2.8
443.27985	10.4
447.27444	25.7
448.27945	1.9
449.30530	1.8
453.28677	1.7
459.26721	3.0
461.29025	100.0
462.29364	3.0
467.31500	4.0
479.29944	16.1
523.33856	4.8
531.36505	2.1
541.35284	48.7
542.35260	3.7
557.31189	2.6
559.36340	29.2
577.37054	6.3
805.66614	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	792.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.05519	15.6
57.03194	0.9
57.03447	10.5
57.07072	2.3
61.02929	3.3
65.03940	2.9
67.05513	64.5
68.61066	0.5
69.03423	1.6
69.07074	15.1
69.30353	1.3
69.30756	4.3
71.04989	2.0
71.08604	1.0
79.05501	37.9
81.03433	0.8
81.07067	60.9
83.04987	1.7
83.08630	7.4
84.45892	0.5
85.02910	3.0
85.06548	1.4
88.08115	0.6
91.03944	1.2
91.04906	0.9
91.05487	21.9
93.07054	47.5
95.04969	2.3
95.08617	49.0
97.02891	1.2
97.06543	3.2
97.10155	2.6
98.20832	1.4
99.08083	1.3
105.04529	1.3
105.07043	18.7
107.07877	1.3
107.08607	26.1
109.06515	2.0
109.10169	21.3
111.08085	1.5
117.07027	7.0
119.08596	13.3
121.10156	23.4
123.08042	1.4
123.11719	9.1
129.07025	1.7
131.08574	11.1
133.09145	0.6
133.10136	13.1
135.11702	15.6
137.09666	0.9
137.13272	1.8
139.11211	0.7
143.08553	2.1
145.10144	10.9
147.11714	9.1
149.09674	0.8
149.13278	7.9
151.14806	1.3
157.10107	1.5
159.11700	9.2
161.13271	6.6
163.11177	1.2
163.14862	4.7
169.10066	0.9
171.11725	1.6
173.13268	6.1
175.14909	4.3
177.16426	1.7
184.35242	0.5
185.13281	2.3
185.47238	0.6
187.14854	3.6
189.16443	1.0
199.14853	1.4
201.16389	2.0
213.16374	1.2
215.17964	0.7
233.22606	1.2
241.19633	3.1
243.21062	4.3
245.22652	0.7
259.20642	7.4
261.22147	16.8
263.23758	1.5
287.68179	0.6
299.23737	1.3
310.33231	0.6
315.23322	0.8
315.26636	0.8
317.24728	4.2
333.24176	6.1
335.25830	100.0
336.26212	2.0
337.27408	10.2
475.33701	0.6
521.43555	2.3
539.44836	0.8
595.47260	13.1
613.48285	12.7
710.36688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
58.00220	0.4
60.38370	0.4
60.86041	0.4
61.02932	4.2
63.66897	0.4
67.05505	5.9
69.03436	4.0
69.07075	2.4
71.01345	0.4
71.05000	3.9
71.48038	0.8
73.02922	3.4
79.05495	4.0
81.03434	2.3
81.07056	6.4
83.05002	0.6
83.08636	1.3
85.02905	3.1
85.06559	0.5
87.04469	0.5
91.03981	2.3
91.05492	2.6
93.07061	3.2
95.04975	0.7
95.08617	2.0
96.35532	0.4
97.02898	3.5
97.06521	0.7
97.10173	1.2
99.04465	0.8
101.02390	1.2
105.07054	2.0
107.08606	1.7
109.02897	0.8
109.06526	0.6
109.10182	1.5
111.08091	0.5
117.07034	0.9
119.08582	0.8
121.10168	1.3
123.11745	0.8
125.09640	0.7
127.03946	0.6
127.42130	0.4
131.08621	1.2
133.10118	2.9
135.11739	0.8
145.10162	0.8
149.01286	0.7
149.13306	0.8
151.11232	1.3
159.11716	0.9
161.98792	0.4
187.13377	0.6
189.11273	0.5
223.13361	1.6
243.08424	3.9
257.17603	0.7
264.02982	0.5
267.15878	1.6
291.19690	1.5
323.18948	0.5
331.18900	2.5
354.43481	0.4
387.21600	0.5
453.21213	0.7
468.77643	0.5
485.23633	8.9
534.79883	1.1
535.30316	2.4
535.79858	2.6
536.29736	1.1
536.80322	0.7
549.26654	6.0
593.09387	0.6
698.94000	0.5
793.43494	100.0
794.43579	3.7
811.05261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
57.07103	0.7
59.04999	0.6
61.02925	3.1
65.03923	0.9
67.05503	7.8
69.03434	2.0
69.07073	2.8
71.05001	3.4
71.52415	1.0
73.02924	3.2
79.05496	4.9
81.03416	4.0
81.07068	8.7
82.07430	0.9
83.05000	1.9
83.08636	2.2
85.02908	2.7
87.04478	0.9
91.03959	1.8
91.05486	6.0
93.07042	6.0
95.04980	2.0
95.08620	3.8
97.02893	3.4
97.06542	1.6
97.10197	1.7
97.77670	0.7
101.02392	2.1
105.07040	5.6
106.07372	0.8
107.04941	1.1
107.08620	3.3
109.02880	1.2
109.10194	2.0
111.95000	0.7
117.07029	1.8
117.26573	0.7
119.08616	2.7
121.10171	2.5
123.08090	0.7
131.04973	0.7
131.08588	2.7
133.10147	3.8
135.11778	1.0
145.10162	1.5
147.11737	2.3
149.09666	2.2
159.11665	1.0
163.11282	1.1
163.97864	0.7
175.11226	0.8
179.14340	0.8
184.07394	1.5
186.07228	0.7
193.12253	0.9
229.69373	0.7
243.08566	2.6
267.16095	1.5
269.17450	0.9
275.20126	1.4
283.15326	3.1
315.19333	3.4
318.65668	0.8
371.21692	0.8
373.05466	0.8
461.29422	1.1
501.23129	10.5
519.36182	1.0
533.27423	9.8
534.35187	0.8
793.43512	100.0
794.44067	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	794.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
57.07082	6.3
58.06586	2.4
60.08155	1.5
61.02921	1.1
62.89306	0.9
63.27739	1.2
65.03929	7.2
65.16505	0.9
67.05493	4.3
68.05035	1.1
69.07056	1.7
70.06594	26.0
70.41459	3.6
71.08607	3.9
73.02904	1.0
79.05477	3.3
81.03416	2.4
81.07052	3.1
84.08113	1.5
86.09708	8.8
88.07098	1.8
88.07633	31.3
91.05476	3.3
93.07043	1.0
95.04926	1.2
95.08613	1.3
98.98472	1.2
102.09182	21.0
105.03374	1.3
105.06992	1.9
107.08574	2.4
109.10143	1.7
115.27773	1.0
120.50735	1.1
121.02881	2.8
121.06500	1.0
124.44530	0.9
124.99991	4.5
131.04993	1.0
133.02884	1.5
133.10168	1.8
135.30360	0.8
139.03964	1.0
147.04387	1.7
147.11641	1.4
149.02353	96.9
149.03430	6.7
149.09616	1.0
156.17496	1.5
168.23418	1.0
175.03880	2.4
177.05516	1.9
184.07338	28.2
191.06956	1.1
193.04962	49.0
200.20099	71.4
219.06520	2.8
237.07579	10.2
244.22615	1.3
297.03729	1.5
313.06815	1.3
341.06613	5.4
352.05035	1.1
359.07697	1.9
385.09210	6.6
429.11987	2.9
577.13373	9.9
621.15808	12.1
776.32855	1.8
794.33478	100.0
795.40588	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.5
57.07074	9.3
61.02923	4.3
65.03948	3.4
67.05508	100.0
68.05828	1.3
69.03430	2.1
69.07069	35.9
71.05006	2.6
71.08631	1.3
73.02930	1.2
79.05498	43.3
81.07059	97.6
83.04980	2.2
83.08622	18.8
85.02892	4.4
85.06536	2.1
86.01569	1.2
87.04457	3.0
91.05484	27.5
93.07048	59.0
95.04986	3.8
95.08611	80.6
97.02887	1.4
97.06525	3.5
97.10170	8.7
99.08145	2.2
103.26317	1.3
105.04574	2.2
105.07040	24.4
107.08591	31.1
109.06490	1.6
109.10163	33.3
111.08096	2.2
117.07024	6.1
119.08580	21.1
119.81129	1.5
121.10154	24.2
123.08063	2.1
123.11727	11.6
125.09591	1.8
131.08577	10.6
131.16811	1.6
133.10141	16.2
135.11694	18.6
137.09689	1.2
137.13242	4.3
145.10161	10.3
147.11711	11.6
149.13274	9.7
151.14857	2.1
157.10156	2.1
159.11761	6.4
161.13246	9.2
162.54063	1.3
163.04321	1.2
163.11284	1.6
163.14845	7.4
165.16473	1.5
173.13271	5.8
174.77901	1.5
175.11200	1.9
175.14821	4.8
177.16377	2.3
185.13338	1.9
187.14859	5.3
189.16412	1.9
191.18129	1.7
199.14873	1.3
201.16388	2.5
233.22610	1.8
241.73160	1.3
243.21082	7.4
245.22578	1.8
259.20572	6.6
261.22134	20.9
263.23746	4.7
300.51929	1.3
317.24786	4.1
333.24252	4.2
335.25809	82.2
336.26184	3.1
337.27377	93.1
338.27838	3.0
339.28891	7.3
523.45123	2.8
541.45691	2.0
597.48792	35.6
615.49860	32.4
794.55048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
61.02929	4.3
67.05508	5.0
69.03425	2.4
69.07060	1.9
70.02067	1.1
70.06629	0.3
71.01342	0.4
71.05004	3.8
73.02927	3.4
79.05493	3.2
81.03413	2.1
81.07061	7.0
83.04996	0.9
83.08619	0.7
85.02910	4.6
87.04498	0.4
91.03960	2.4
91.05485	4.0
93.07041	3.4
95.05000	1.1
95.08595	1.9
97.02896	4.0
97.06554	0.8
97.10178	0.4
99.04476	1.0
99.08123	0.4
100.69606	0.4
101.02409	1.4
103.03885	0.4
105.07028	2.2
107.08581	2.2
109.02900	0.8
109.06467	0.4
109.10196	1.0
111.08091	0.4
115.03974	0.6
117.07056	0.6
119.08630	1.3
121.10173	1.0
123.08110	0.4
123.11758	0.7
125.09647	0.4
126.90778	0.3
127.03959	1.6
131.08588	1.4
133.10150	2.4
135.11681	1.1
145.10164	0.6
147.11732	0.4
149.13260	0.8
151.11230	1.2
159.11746	0.7
183.13887	0.6
184.07404	0.6
185.04286	0.5
187.13310	0.8
190.39935	0.3
198.26892	0.3
203.05327	0.6
208.91397	0.3
221.04955	0.3
243.08382	3.5
244.74527	0.4
257.17587	1.0
267.15829	1.2
301.08997	0.6
301.20151	0.4
323.18250	0.6
333.20291	1.9
389.23022	0.7
402.69485	0.4
439.19208	0.7
441.20926	0.5
453.21042	1.4
485.23621	10.4
486.38885	0.4
499.82144	0.4
533.79956	0.4
551.28210	5.4
646.11774	0.4
795.45001	100.0
796.45337	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	796.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.1
58.06599	0.4
59.07370	0.3
60.08167	6.7
69.85896	1.2
71.07381	3.2
81.07037	0.4
84.75312	0.3
85.35966	0.2
86.09711	32.1
98.98477	3.3
104.10756	2.8
106.84859	0.3
109.10169	0.3
125.00011	22.1
156.93423	0.2
163.11223	0.2
166.02562	0.3
184.07349	100.0
300.13580	0.3
447.39429	0.3
607.88831	0.3
649.14648	0.3
796.41492	0.4
796.54938	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	797.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71665	1.1
55.93529	3.6
56.94314	1.5
57.03413	1.4
57.07083	2.3
67.05511	8.9
69.07086	6.6
69.44215	9.0
70.95852	1.7
71.08614	1.4
71.93018	1.1
72.93789	4.9
73.24619	1.2
79.05503	6.1
81.03397	1.2
81.07066	6.8
83.08613	5.3
83.37366	1.1
85.10168	1.4
90.94823	3.8
91.05482	4.8
93.07063	6.9
95.08599	6.8
97.10177	3.5
99.46675	1.1
105.07031	2.5
107.08611	2.3
109.10146	2.2
113.87267	1.2
113.96445	1.4
116.96339	1.3
119.08610	1.4
121.10142	2.3
126.98418	1.4
128.96355	1.7
133.10149	1.9
135.11705	1.5
141.40796	1.2
144.95874	1.4
146.97404	4.1
148.42131	1.1
151.02049	1.3
164.98477	2.0
165.97151	1.8
166.97862	1.5
170.91441	14.3
178.97807	2.3
183.98126	2.1
188.90886	2.5
188.92485	34.9
192.99509	1.2
193.93033	2.3
201.03685	1.4
206.93410	1.3
208.93034	5.4
209.02655	1.6
211.94095	4.0
226.94058	37.4
227.05208	1.3
229.06877	1.3
241.05267	1.4
244.95094	12.8
249.95709	4.2
252.95549	1.5
267.96640	3.3
281.09903	3.0
282.96664	15.7
283.11374	2.5
311.25873	2.3
323.99265	1.6
327.16214	1.6
329.12097	4.5
331.13522	7.9
333.15131	100.0
334.15433	1.8
335.25845	2.8
340.81906	1.4
374.17743	2.7
377.95517	1.3
389.12778	2.2
389.17715	10.7
407.13055	2.0
407.18488	2.5
413.11655	2.7
445.14261	3.5
463.15625	12.6
469.14432	33.0
487.15417	3.8
494.39795	1.2
519.17957	5.6
543.18207	9.3
571.47327	11.0
643.39893	4.7
797.50708	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	797.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
57.07099	0.3
61.02937	6.2
67.05180	0.4
67.05518	6.3
68.25682	0.2
69.03444	3.4
69.07072	1.1
69.81620	0.9
69.82025	0.5
71.01353	0.5
71.04988	0.4
73.02934	4.6
79.05504	4.0
81.03426	1.9
81.07068	5.7
83.04989	0.5
83.08626	0.5
85.02921	6.0
86.09721	0.9
87.04482	0.4
91.03973	4.1
91.05488	2.4
93.07051	4.2
95.04993	0.4
95.08627	4.3
97.02906	5.9
97.06529	0.4
97.10165	0.5
97.69288	0.3
99.04483	1.1
101.02406	1.6
103.03996	0.5
105.07043	1.6
107.08588	2.0
109.02917	0.8
109.06599	0.3
109.10167	1.7
115.03974	0.5
117.07070	0.4
119.08640	1.1
121.10178	1.8
123.11718	0.4
125.00044	0.7
127.03957	1.7
131.08607	0.8
133.10172	0.6
133.68405	0.3
135.11748	1.3
145.04982	0.3
145.10149	0.6
147.11728	0.5
149.13303	0.5
159.11732	0.6
161.13441	0.3
173.13309	0.3
184.07381	2.1
185.04276	0.8
194.80249	0.3
203.05318	0.7
243.08476	2.1
261.22141	0.4
335.25940	0.8
519.29346	10.8
520.30316	0.4
686.78247	0.3
767.10608	0.3
797.51825	100.0
798.52155	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	801.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
58.99593	0.1
61.02919	0.2
65.03594	0.1
65.03925	1.0
66.92743	0.1
68.99777	0.1
69.03431	6.3
71.52989	0.1
73.02914	0.1
75.02338	0.1
76.02233	0.3
81.03441	0.5
84.04508	0.2
85.02911	0.7
86.09695	0.1
91.05482	6.2
93.03416	0.3
95.04984	0.1
97.02882	0.8
99.00792	0.1
99.04402	0.2
102.28911	0.1
103.03951	0.1
107.04955	0.3
109.02880	0.6
111.04430	0.2
116.01710	0.1
119.04946	16.7
121.02863	0.9
125.02352	0.1
127.03920	3.4
130.05008	0.1
136.01576	0.3
139.03915	1.3
143.03398	0.3
145.04982	0.4
145.06485	0.1
145.19154	0.1
147.04411	100.0
148.04747	0.7
149.02347	1.9
155.03430	0.2
157.06570	0.1
162.02208	0.2
163.03946	0.3
165.05487	0.8
167.03407	5.9
173.05986	0.1
179.03436	0.2
179.04878	0.4
185.04457	29.2
186.04802	0.3
187.07625	0.2
191.03450	0.3
197.04433	0.5
201.05453	0.2
203.03424	0.3
203.07022	0.1
209.04468	3.2
213.05540	0.2
213.09099	0.1
221.04492	0.4
231.06598	0.3
235.05928	0.1
251.05490	0.5
261.06085	0.1
263.05478	0.4
275.05481	0.3
275.13425	0.1
281.06540	0.3
291.08630	5.9
293.06674	0.3
308.09088	0.4
309.09692	15.4
310.10001	0.2
311.07687	0.4
334.29648	0.1
405.10318	0.2
519.19031	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	801.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.0
59.04994	0.3
60.08980	0.2
61.02932	1.7
62.63707	0.3
65.03950	0.9
67.05499	0.9
69.03431	85.1
70.03006	0.5
70.03400	0.8
71.01362	1.9
71.05000	2.1
73.02911	1.5
79.05495	0.4
79.70464	0.3
81.03423	7.3
81.99004	0.3
83.01352	1.6
85.02907	49.0
87.04479	2.0
91.05484	8.0
91.79472	0.3
93.03381	0.6
95.04978	1.7
97.02895	15.9
99.00827	7.7
99.04462	4.6
101.02372	2.0
107.04956	6.5
109.02884	17.9
111.04444	0.7
115.03944	1.0
115.83952	0.3
117.01859	4.2
119.04945	15.6
120.05737	0.4
121.02854	2.7
122.27142	0.3
123.04446	1.0
125.02363	1.1
127.03920	100.0
128.04303	0.8
136.01590	0.6
137.02342	4.5
137.17468	0.3
139.03905	2.2
143.03404	0.6
145.04964	50.9
147.04436	2.5
149.02365	3.7
151.03911	0.6
155.03413	0.8
157.06523	0.4
161.05913	0.3
163.03943	0.7
167.03412	11.0
167.08548	1.1
169.04884	0.5
173.02383	0.7
177.07054	0.7
179.03430	0.4
181.05026	0.4
183.02892	0.6
185.04462	51.5
186.04868	0.6
191.03407	1.0
191.08556	0.5
195.08075	1.0
197.04395	1.5
203.03465	0.4
205.05003	0.5
209.04462	8.9
209.09570	0.4
212.08284	1.3
213.09111	17.7
214.09308	0.6
219.08122	0.8
221.04469	1.3
223.07671	0.5
225.03946	2.5
235.05917	0.7
237.09113	3.9
243.04991	3.8
247.07545	1.4
251.05348	1.4
253.07103	0.9
257.04517	0.3
261.06082	6.4
261.08783	0.6
263.05325	1.8
265.08578	4.4
275.05450	1.0
281.06622	0.8
293.08139	4.4
299.07642	3.9
311.09305	4.3
327.06848	0.6
329.08685	0.4
339.07129	0.7
359.09818	0.7
369.07983	0.8
387.09079	1.3
405.10291	18.6
455.13382	6.8
680.03705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
61.02929	4.9
65.03947	0.8
67.05508	14.2
69.03419	1.8
69.07069	6.1
69.77141	2.2
71.04983	1.6
73.02908	1.3
76.96117	0.5
79.05495	11.5
80.58662	0.5
81.03414	2.2
81.07060	15.2
83.04967	1.5
83.08614	3.3
85.02903	4.6
85.06533	1.2
91.03941	2.6
91.05482	16.0
93.07046	12.5
95.04952	2.5
95.08609	8.8
96.08948	0.6
97.02885	3.1
97.06507	2.1
97.10174	2.5
98.21401	0.8
99.08097	0.7
105.04524	0.6
105.07037	14.2
107.04951	1.7
107.08591	7.8
109.06508	1.8
109.10159	4.8
110.59660	0.4
111.04452	0.7
111.08070	1.2
111.93117	0.4
113.09689	0.5
115.03924	0.5
115.05447	0.9
117.07014	6.4
119.08585	10.0
121.06486	2.3
121.10161	4.2
123.08054	1.1
123.11707	0.6
125.09663	1.0
127.03913	1.5
128.06245	0.9
129.07010	5.5
131.08568	11.4
133.06508	1.3
133.10143	6.5
135.08055	1.6
135.11688	1.5
137.09628	0.6
141.06978	1.8
142.07759	0.6
143.08571	5.8
145.04968	0.9
145.10130	8.3
147.08064	1.5
147.11688	2.7
149.09569	1.8
149.13245	0.9
154.04996	0.6
155.08527	3.1
157.10126	4.3
159.08031	0.8
159.11694	4.1
161.09645	0.9
161.13258	1.3
163.05998	1.0
163.11162	0.8
167.08583	1.2
169.10152	2.4
171.08080	0.7
171.11676	2.5
173.13252	1.4
175.11131	0.9
181.10118	2.1
183.11647	2.0
185.13266	1.8
187.14836	1.1
189.12823	0.7
195.11728	0.9
197.13344	2.1
199.11174	0.6
199.14845	0.8
209.13313	1.4
211.14917	1.0
213.12778	0.6
213.16454	0.7
215.14359	0.4
217.15919	0.4
223.14871	1.1
225.16553	0.6
227.12654	0.8
233.15332	0.9
237.16362	0.6
241.16055	0.7
247.17020	1.0
253.14250	0.9
255.17540	0.8
260.09192	1.8
261.18607	1.1
267.15942	1.0
273.18509	1.3
275.20120	1.1
276.20602	0.5
279.16040	0.5
291.19589	1.6
325.25211	0.6
335.23846	1.3
343.26370	1.4
349.23752	0.7
353.24832	4.1
354.34479	0.4
356.18613	0.6
357.27423	0.4
371.25739	3.2
389.26849	3.8
398.19824	0.7
427.28635	0.7
445.29504	100.0
446.29678	2.8
463.30576	24.4
464.30975	0.8
504.27365	0.8
508.26883	0.6
550.27887	1.1
557.34680	1.6
607.34753	0.8
624.31158	1.3
642.32788	13.5
642.43567	0.9
643.33154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	0.6
57.03441	8.5
59.04986	0.7
65.03932	1.7
67.05504	21.5
69.03434	6.5
69.07070	18.8
69.27354	3.1
69.27767	2.1
69.75673	0.7
71.04974	2.5
79.05495	22.5
81.03419	56.2
81.07055	20.8
83.04990	5.2
83.08624	13.2
85.02905	1.6
85.06525	0.6
91.05483	21.1
93.07043	15.7
94.04163	0.7
95.01317	0.7
95.04969	19.0
95.08611	8.1
97.02897	6.9
97.06544	3.8
97.10172	10.6
99.08084	0.8
103.05443	0.7
105.03391	1.4
105.07030	17.6
107.04959	9.1
107.08591	11.9
108.05798	0.6
109.02857	0.6
109.06523	3.6
109.10166	7.7
111.04420	1.4
111.08070	4.8
112.88229	0.6
115.05472	1.4
117.07031	5.5
119.04925	1.4
119.08582	13.9
121.06512	4.3
121.10132	7.6
123.04439	0.9
123.08069	3.8
123.11709	1.2
125.09641	7.1
128.06242	1.6
129.06995	6.3
131.08582	10.7
133.06482	4.5
133.10115	7.5
134.07304	0.8
135.08044	3.1
135.11700	2.8
137.06009	0.8
137.09639	2.1
141.07004	1.1
142.07788	2.0
143.08551	2.3
145.10124	5.1
147.08029	5.3
147.11707	6.5
149.09630	4.7
149.13290	1.1
151.11226	1.3
153.09108	0.8
157.10141	8.1
159.08052	1.0
159.11684	1.9
161.09657	2.1
163.11168	1.9
165.09099	0.9
165.12782	1.9
171.11670	1.5
173.09612	1.0
175.11203	6.2
177.12784	1.2
181.10004	0.7
185.13324	0.8
189.11267	3.0
193.12234	11.2
195.11722	0.7
195.13846	0.8
203.10762	0.7
205.12300	2.1
211.13150	1.1
219.13852	2.8
223.13280	14.7
227.12791	6.7
227.18234	0.6
249.14819	3.9
253.14357	2.8
262.15720	0.6
267.15918	62.5
268.16479	0.7
273.18530	9.0
283.15482	1.4
291.19547	62.2
292.20010	1.0
301.14374	0.7
313.21741	2.0
315.19772	0.7
339.44287	0.6
347.22348	2.0
365.23236	41.0
385.23975	1.1
389.23257	1.2
419.24231	1.1
445.25726	4.2
459.27496	5.0
463.26920	1.9
465.29785	0.7
477.28610	4.2
483.30731	1.3
529.35089	0.7
539.33710	8.1
557.34747	100.0
558.35242	2.6
575.35724	3.1
585.30420	0.8
599.36017	1.1
665.36780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.5
57.07073	1.4
57.56587	1.1
58.69072	1.0
65.03927	3.1
67.05506	51.3
68.05791	1.0
69.03446	5.9
69.07070	12.6
70.05367	4.1
71.04976	6.1
73.02905	1.9
79.05493	34.2
81.03417	71.1
81.07056	55.2
83.04987	11.4
83.08620	17.3
85.02916	2.4
85.06554	6.5
91.05480	48.8
93.07045	33.8
93.07629	2.0
95.04967	27.7
95.08609	20.7
97.02905	2.9
97.06522	6.7
97.10178	4.5
98.21465	1.2
99.04471	1.8
99.08092	2.0
103.05466	1.2
105.07035	40.0
107.04966	11.6
107.08594	32.4
109.02857	1.3
109.06516	9.8
109.10159	44.7
111.04436	2.5
111.08088	6.7
113.05996	2.7
115.05466	2.4
117.06995	8.3
119.04945	1.5
119.08585	18.3
121.06500	9.8
121.10144	10.5
123.04455	2.1
123.08061	4.1
123.11721	10.2
125.09647	4.6
127.07578	1.2
128.06168	1.4
129.07002	10.9
131.08556	14.4
133.06494	5.9
133.10130	58.1
135.08041	7.7
135.11694	6.8
137.06003	2.0
137.09587	2.9
141.07019	1.1
142.07774	2.3
143.08577	5.0
145.06467	1.3
145.10126	10.0
147.08063	6.8
147.11699	9.3
148.54991	0.9
149.09630	7.5
151.09984	1.4
151.11188	26.3
155.08632	1.7
157.06523	1.3
157.10158	10.1
159.08023	4.3
159.11682	3.5
161.09616	7.3
161.13303	2.1
163.11206	5.6
165.09154	1.4
165.12737	2.9
169.10150	2.4
169.12271	3.9
171.08110	1.3
171.11684	2.7
173.09714	1.9
173.11699	1.0
175.11192	8.3
177.09143	1.3
179.10693	2.4
181.12224	1.2
183.11780	1.6
185.13304	2.5
187.11226	1.2
189.11194	1.4
189.12704	1.4
193.10646	1.9
193.12253	22.1
196.42169	1.0
199.11275	1.0
201.12694	1.0
205.12270	1.3
207.13866	1.1
215.12839	1.2
223.13362	1.1
227.12851	5.5
229.14484	1.9
231.13831	1.6
245.19019	4.5
251.12675	1.4
253.14349	87.0
254.14658	1.1
263.20111	2.9
265.46689	1.0
267.15921	70.0
273.18478	14.4
275.19958	1.7
283.15353	2.3
287.19998	9.3
291.16541	1.7
291.19550	20.0
309.20551	2.2
327.19455	1.0
329.21194	1.3
347.22330	5.6
365.23251	30.3
371.21918	1.9
389.22797	1.9
421.25583	2.5
437.25235	3.0
445.25848	19.3
447.28906	2.0
461.25262	2.3
463.26880	23.4
465.29913	3.5
483.31134	2.8
539.33661	21.7
557.34741	100.0
558.34772	2.0
575.35895	5.8
804.49261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
61.02925	2.9
65.03936	1.5
67.05511	4.4
67.42298	1.3
69.03448	3.7
69.07076	2.5
70.06606	2.2
71.05010	2.2
71.52450	1.7
79.05502	7.2
80.05055	2.3
81.03448	7.1
81.07064	6.5
83.08649	2.4
84.04511	6.1
85.02916	3.8
85.06611	1.4
86.09723	2.4
91.05495	5.9
93.07045	6.2
94.06583	4.8
95.04988	3.5
95.07339	2.1
95.08624	3.0
96.08145	5.6
97.02905	4.0
97.06574	1.7
105.07040	3.7
106.06593	1.6
107.08643	3.9
108.04529	2.7
108.08121	9.0
109.06533	1.3
109.10149	2.0
110.09701	5.6
116.05028	3.1
116.72874	1.4
117.06998	2.8
118.06671	1.6
120.04489	4.6
120.08150	7.5
122.06041	5.2
124.07603	5.8
127.03873	1.4
130.04976	8.6
131.08563	3.0
133.10150	3.1
134.06029	2.2
136.07590	10.5
138.09149	7.5
144.04498	3.2
146.06032	6.1
147.04433	2.4
147.07681	11.5
147.11790	1.5
148.07637	3.3
150.09137	1.7
152.07066	3.0
160.03972	3.7
162.05540	3.4
166.08636	14.6
172.03944	24.8
176.07123	2.2
190.05005	18.9
199.08603	1.5
204.06580	44.1
211.08626	4.0
212.09361	2.0
225.10272	7.0
227.11787	11.6
236.09438	2.5
237.10306	2.5
239.11757	2.7
241.09850	2.5
241.13449	1.9
249.10231	2.9
251.08133	2.4
251.11873	4.3
253.09813	6.6
255.11250	1.9
264.08838	2.2
267.11389	2.9
267.16000	3.6
269.12915	17.0
269.17548	3.8
270.09805	1.4
271.10904	8.6
273.01205	1.7
273.12320	2.3
279.11368	4.3
283.10779	6.8
284.11606	6.1
285.12369	5.0
286.13083	2.2
287.13922	13.5
297.12384	9.9
299.14078	4.4
307.10779	2.5
309.12344	2.2
313.12628	2.7
314.13107	2.1
316.14490	2.5
317.15521	1.6
321.12433	1.4
323.10193	8.4
325.11887	19.0
327.13522	2.0
328.10916	3.3
328.14536	2.5
330.16110	2.5
338.13095	1.4
342.12485	6.5
342.16168	2.0
343.13141	6.3
356.13995	5.0
356.39026	1.5
357.14578	23.7
358.15579	4.0
370.15601	3.4
371.16516	1.9
378.18149	2.5
382.12088	2.7
383.12659	2.7
384.13345	3.1
385.14288	2.6
386.19064	3.0
390.18195	3.4
398.15005	19.4
399.15814	27.9
400.16400	2.2
404.16138	6.3
412.16623	3.7
414.18103	3.9
416.15948	16.1
428.16071	3.4
430.17679	3.3
440.16144	6.7
446.17203	8.1
458.11304	2.3
458.17218	28.7
460.18115	1.8
461.29059	6.3
478.19833	2.2
487.17142	9.0
490.19717	8.3
569.23901	3.8
583.25812	1.6
593.23877	4.2
611.25031	100.0
612.25049	3.0
643.27515	25.4
737.27673	1.8
755.29675	2.1
773.30194	38.4
805.33160	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	805.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
57.27962	0.4
61.02934	0.8
67.05501	1.1
69.03439	1.9
71.03957	0.7
71.05024	0.4
73.02914	0.8
79.05501	1.4
81.03419	1.2
81.07059	0.7
82.06604	0.5
84.04489	0.6
84.08134	0.4
85.02908	2.1
87.01816	0.3
87.04436	0.3
91.05444	1.7
92.05865	0.5
92.23738	0.4
93.05772	0.4
93.07055	1.9
94.06585	2.1
95.04973	1.0
95.07360	0.9
95.08646	0.7
96.08142	3.8
97.02924	1.2
97.06557	0.5
105.07066	0.5
106.06569	0.4
107.07371	0.5
108.08130	5.0
109.02880	0.5
109.06524	0.4
110.09692	6.7
110.38316	0.3
117.07007	0.5
118.94141	0.4
119.08572	0.5
120.04442	0.5
120.08121	5.2
121.10152	0.4
122.06060	3.4
122.09684	1.3
123.02256	0.3
124.07626	1.7
127.03938	0.6
131.08580	0.5
133.10097	0.6
135.37964	0.4
136.07585	6.8
138.09154	9.4
147.04457	0.5
148.07600	2.9
150.09152	2.2
152.07109	0.8
159.30063	0.4
164.07053	0.4
166.08652	14.7
204.06543	0.4
204.10277	0.4
209.10750	0.4
211.08702	0.7
222.11514	0.4
223.08823	0.5
225.10196	0.7
226.10893	0.4
235.08653	3.4
235.12390	0.8
236.09567	1.0
237.10234	6.1
238.11055	3.5
239.06860	0.4
239.11787	4.1
247.08734	2.0
248.09479	3.5
249.08096	0.2
249.10266	10.6
250.11021	11.6
251.08105	0.4
251.11816	9.0
252.12701	1.1
253.09738	1.0
253.13464	0.4
255.11198	0.6
261.10275	4.1
262.11057	3.9
263.11823	25.0
264.09036	1.1
264.12613	2.9
265.09811	3.9
265.13434	6.3
266.10562	0.9
267.11383	2.3
267.15881	0.4
269.12970	0.4
275.11777	0.7
276.09055	0.8
277.09744	5.2
277.12674	0.6
278.10522	2.4
279.11295	21.8
280.11932	1.4
281.09598	0.6
281.12909	4.2
282.10172	2.1
282.12976	0.4
283.10825	1.8
283.13739	0.5
285.12466	0.7
289.09711	1.7
291.11288	12.8
292.11981	2.4
293.09341	1.1
293.12903	4.8
294.09995	0.5
295.10861	2.6
295.14218	0.8
296.11612	1.8
297.12390	3.2
298.13568	0.5
305.09128	0.8
307.10822	8.2
307.14011	0.4
308.11517	0.6
309.12350	11.6
309.15778	0.7
310.12927	0.6
311.13913	2.8
317.09311	0.7
318.09912	0.7
319.10776	5.4
321.12396	1.3
323.10388	1.5
323.13992	3.9
325.11914	4.6
327.13602	0.6
328.14737	0.8
330.16208	0.5
335.10291	5.6
336.11118	3.4
337.11847	32.7
339.13437	1.3
340.14505	0.6
341.15247	1.0
342.15942	1.8
343.16794	0.7
349.11688	0.7
351.13641	0.4
354.12253	0.5
354.16190	0.8
355.12918	11.6
355.17242	0.7
356.13843	2.1
356.17761	0.9
357.14493	22.6
358.15329	0.9
367.12915	13.3
368.13620	2.9
368.17618	0.4
369.14468	16.0
370.15329	2.7
370.19196	0.4
375.19220	0.5
381.14923	0.6
384.17325	0.7
385.18335	0.6
388.16708	0.5
399.15854	0.6
402.18314	0.7
403.18875	4.6
412.16644	0.8
416.20261	0.8
426.17978	0.5
430.17566	0.8
432.19238	0.7
442.17551	0.7
444.19540	1.7
446.17249	0.6
447.17972	0.9
448.18417	0.7
458.17285	1.1
460.18774	1.8
470.16858	0.6
472.18781	1.2
474.20963	0.5
476.21988	1.3
478.19876	1.7
488.18155	3.1
489.19128	0.5
490.13135	0.7
490.19794	10.2
491.20355	0.6
492.21271	1.9
494.23022	1.0
502.19745	1.5
504.21265	1.5
520.20874	33.7
521.21606	7.5
522.22406	100.0
523.22784	2.8
611.24622	2.0
625.26471	1.5
643.27692	8.3
643.37518	0.6
650.23352	1.0
651.24701	0.6
652.25281	3.2
682.26050	4.0
683.26666	3.6
684.27655	20.1
685.27972	1.0
773.29517	0.9
805.32611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43650	0.4
57.03446	0.5
61.02922	0.9
67.05495	1.5
69.03434	2.3
70.06584	0.5
70.16694	1.7
73.02943	0.6
79.05481	1.5
80.04970	0.4
81.03412	1.6
81.07055	1.0
84.04487	0.7
85.02886	2.1
87.99802	0.4
91.05478	1.7
93.05781	0.4
93.07043	2.5
94.06556	1.6
95.04951	0.5
95.07346	1.8
95.08646	0.4
95.20701	0.4
96.08131	3.5
97.02882	0.9
97.06491	0.6
103.05466	0.4
105.07036	0.5
108.08113	3.9
109.10198	0.5
110.09694	5.8
119.08629	0.4
120.08109	4.5
122.06053	3.7
122.09680	0.8
124.07597	1.3
132.08038	0.4
136.07579	7.2
138.09145	9.4
146.09669	0.5
147.04396	0.6
148.07581	2.6
150.09169	1.9
152.07072	0.7
164.07054	0.7
166.08647	12.9
167.07069	0.4
197.04614	0.4
211.08783	0.6
221.10815	0.8
222.11499	0.5
227.11855	0.5
235.08737	2.2
235.12238	0.8
236.09372	1.1
237.10207	4.9
238.11037	3.0
239.11780	3.5
247.08694	2.3
248.09433	2.9
249.10225	8.9
250.11015	10.3
251.11798	9.8
252.12503	1.4
253.09839	1.2
253.13251	0.7
261.10257	3.5
262.11014	3.3
263.11810	25.1
264.08936	0.9
264.12512	2.6
265.09796	3.8
265.13400	4.6
266.10471	0.8
267.11377	2.0
269.12869	0.5
275.11884	0.5
276.09015	0.7
277.09747	4.1
278.10428	3.4
279.11282	20.4
280.11783	0.8
281.09946	0.7
281.12839	3.5
282.09976	2.1
283.10822	1.3
284.11548	0.5
285.12543	0.4
289.09784	2.5
290.10550	0.7
291.11304	13.2
292.11996	3.1
293.09589	0.7
293.12833	4.6
294.10010	0.5
295.10858	3.0
296.11530	2.1
297.12350	2.9
303.49646	0.4
305.09195	0.5
307.10791	7.4
308.11719	0.5
309.06680	0.4
309.12344	10.9
310.13083	1.0
311.13849	3.1
313.11682	0.5
317.09290	0.7
319.10748	5.8
321.12308	0.9
323.10315	1.8
323.13986	4.3
324.14648	0.4
325.11850	4.5
330.16122	0.5
335.10260	4.7
336.10843	2.3
337.11838	34.0
339.13528	1.1
340.14566	0.4
341.15210	0.7
342.16031	1.7
351.13358	0.7
353.11606	0.5
354.12207	0.6
354.16122	0.7
355.12894	10.6
355.16620	0.4
356.13669	2.7
356.17581	0.7
357.14459	21.9
358.15005	0.6
367.12891	12.5
368.13715	2.2
369.14468	16.6
370.15387	2.9
370.19400	0.5
371.16165	0.8
375.19553	0.5
382.15588	0.4
384.17307	0.8
398.14981	0.6
399.15692	0.6
400.16537	0.9
402.18250	0.8
403.18900	4.5
406.17810	0.4
414.18765	0.6
417.16458	0.4
430.17838	0.8
432.19220	1.1
441.54077	0.4
442.17889	0.8
444.19272	1.5
447.17688	0.8
448.18799	0.7
458.17093	0.8
460.18634	2.3
462.20422	0.7
472.18805	1.2
476.21838	1.8
478.19492	2.4
488.18414	3.1
489.18973	1.1
490.19806	9.6
492.21472	2.0
493.21964	0.5
494.22867	1.2
502.19785	1.3
504.21222	2.0
520.20807	35.4
521.21613	7.3
522.22375	100.0
523.22626	2.9
593.23834	0.6
611.25043	2.8
611.34253	0.6
625.26569	2.5
643.27557	9.2
643.38025	0.7
650.23541	0.7
651.24200	1.2
652.25061	3.2
682.26056	5.7
683.26953	3.4
684.27637	22.0
685.27441	0.9
805.31921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
57.07083	8.5
58.06604	2.5
61.02924	1.2
65.03943	6.5
67.05518	5.4
68.05049	0.8
69.03432	1.4
69.07066	1.2
70.06601	22.4
71.05005	1.0
71.08638	4.0
71.52274	1.0
72.08165	0.9
73.02930	1.2
73.64748	0.8
79.05505	2.5
81.03451	1.2
81.07067	5.5
83.08633	1.1
86.09702	1.0
88.07636	23.3
88.08158	1.4
91.05498	2.7
93.07050	2.2
95.04962	2.0
95.08604	2.5
97.02879	1.3
98.09702	4.9
102.09193	20.8
105.07042	2.4
107.04926	0.7
107.08636	1.3
109.10179	1.6
110.34991	0.7
119.08627	2.4
121.02897	2.9
121.10177	1.1
133.10184	2.2
135.11725	0.9
139.03931	2.2
144.65852	0.8
147.11703	2.0
149.02362	88.2
149.03436	7.6
175.03961	2.0
177.05598	0.9
184.07436	2.1
193.04976	39.2
218.35674	0.8
219.06625	1.1
256.26376	53.8
266.78027	0.8
267.16052	1.4
291.19528	0.9
297.03998	1.8
313.07001	1.7
341.06674	3.5
343.08240	0.9
359.07639	1.8
385.09250	6.2
416.34772	0.9
533.11145	1.3
559.36890	1.8
577.13464	19.1
644.48462	2.0
788.36554	1.3
806.37622	100.0
806.53534	9.9
807.37189	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	806.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	24.6
57.07045	1.9
59.05001	2.9
61.02926	3.7
63.47563	1.6
65.03933	6.0
65.93962	1.6
67.05506	87.2
67.41650	1.6
69.03426	12.9
69.07069	38.6
69.07867	1.7
69.16868	1.9
69.17160	19.9
71.01366	3.4
71.05000	13.8
73.02928	1.9
76.82996	1.8
79.05496	78.5
81.03419	100.0
81.07059	89.0
83.04989	16.3
83.08620	44.0
85.02908	7.4
85.06552	8.0
87.01035	2.0
87.21872	1.7
91.05483	70.6
93.07047	62.6
95.04974	45.0
95.08055	3.1
95.08611	38.3
97.02890	7.3
97.06529	26.3
97.10170	27.2
99.08103	6.8
103.05446	2.1
105.07035	55.9
107.04977	18.2
107.08592	52.0
109.02906	2.4
109.06512	12.3
109.10160	26.3
111.04481	3.5
111.08104	15.2
115.05463	4.3
115.07554	3.2
117.07018	22.4
119.04945	3.6
119.08581	44.5
121.06499	14.2
121.10148	27.2
123.04488	2.6
123.08066	6.6
123.11718	7.1
125.09634	21.9
127.03860	2.6
128.06227	5.8
129.07010	22.6
130.07866	2.2
131.04921	2.7
131.08572	34.8
133.06503	8.9
133.10138	29.4
135.08035	10.0
135.11697	16.8
137.09633	7.8
139.11258	2.5
141.07005	5.4
142.07816	5.2
143.08577	11.1
145.06526	6.6
145.10127	20.0
147.08052	9.0
147.11691	27.3
149.09630	21.0
149.13271	8.2
151.11174	5.4
153.09135	3.6
155.08549	4.5
157.06537	1.9
157.10149	17.3
159.08064	4.0
159.11693	13.5
161.09645	5.2
161.13290	4.1
163.11160	10.3
165.12767	3.5
167.08566	2.2
169.10199	4.8
171.10248	1.8
171.11694	7.3
173.04463	2.7
173.09639	3.9
173.11789	2.1
173.13257	4.7
175.11172	16.0
177.12793	5.8
181.10098	3.1
181.12271	2.7
183.11713	4.8
184.07358	2.7
185.09653	2.5
185.13260	3.8
187.11200	2.7
187.14732	2.9
188.12079	2.0
189.11229	9.6
193.10350	3.1
193.12225	29.5
195.11789	2.4
195.13869	4.2
197.13272	4.3
199.11284	1.9
199.13223	2.1
199.14894	3.5
201.12662	1.9
203.14328	2.9
205.12260	3.8
209.11610	2.3
211.13217	4.3
217.15831	4.0
219.13800	2.0
223.13170	4.7
227.12769	23.3
229.14349	8.9
243.15808	3.3
245.13683	2.6
249.14851	4.8
253.14330	4.8
255.15878	16.7
257.19025	6.7
267.15915	95.1
269.17471	25.3
273.18488	7.9
275.20099	31.4
283.15414	4.8
285.16974	2.5
291.19592	16.2
293.21341	3.2
301.16730	3.4
301.19983	2.6
315.23282	3.1
324.87320	1.9
331.22433	2.6
349.23782	29.6
351.23358	2.8
365.23288	8.3
367.24780	4.3
369.24265	4.5
387.25281	2.3
421.25720	6.3
435.27390	3.7
437.24667	2.8
437.29919	2.8
443.27969	11.4
447.21783	3.4
447.27454	35.6
449.30597	6.4
459.27524	4.3
461.29044	94.5
467.31577	5.1
477.28339	4.0
479.30264	2.8
493.31757	12.2
501.32373	3.9
519.33069	4.4
523.34143	5.6
533.34833	2.7
538.90387	2.1
541.35291	90.6
542.35718	4.7
559.36334	36.4
569.30872	2.8
573.37671	3.3
588.30591	2.0
591.38239	5.1
806.41205	2.6
END